smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1CCN(CCNC(=O)c2ccc(OC)nn2)CC1 160080888 YZUXETCRFFQVRG-UHFFFAOYSA-N 293.371 -0.148 70 20 CBID CNCCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 216973343 RQPRVGCLSZUPRW-UHFFFAOYSA-N 263.297 -0.009 70 20 CBID O=C(NCCCNCCO)c1cc(S(=O)(=O)F)c[nH]1 1166878369 APIVBQAPWSXRHP-UHFFFAOYSA-N 293.320 -0.625 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2N1 160620461 UVAKAKPKLGBZTA-GHMZBOCLSA-N 279.340 -0.264 70 20 CBID C[C@H](C(=O)NC(N)=O)N1CCN(Cc2ccncc2)CC1 161189338 YLHSIICDAQRRKK-LLVKDONJSA-N 291.355 -0.217 70 20 CBID COC[C@@H](O)CCNC(=O)CNC(=O)c1cccs1 161366833 NFPHEGWZCIBMLM-VIFPVBQESA-N 286.353 -0.009 70 20 CBID Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@H](N)C3)CC2=O)cn1 159386041 IMDCHZYVMPWROV-MNOVXSKESA-N 291.355 -0.277 70 20 CBID O=C(NC[C@@H]1CCCN([C@@H]2CCOC2=O)C1)[C@@H]1CCCN1 217046062 CIPVYKKXZCJWFL-RWMBFGLXSA-N 295.383 -0.118 70 20 CBID O=C(C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CCNCC1 160864314 FFTYAHUNZDTMLO-SWLSCSKDSA-N 295.383 -0.428 70 20 CBID C[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527565936 OJCKMSSXVZNQGR-ZCFIWIBFSA-N 289.288 -0.367 70 20 CBID CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 159672768 KZJLFZWXSZULLT-CMPLNLGQSA-N 293.323 -0.449 70 20 CBID CCC(=O)N1CC[C@@H](C(=O)NCCN(C)CCOC)C1 161451941 LTRMHKZEYUIJQN-GFCCVEGCSA-N 285.388 -0.061 70 20 CBID NC(=O)[C@H]1CC[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)O1 159942433 XPWBILMKQPJLJP-GZMMTYOYSA-N 289.291 -0.277 70 20 CBID C[C@@H](CCO)CNC(=O)c1ccc(C(N)=O)cn1 161065466 GRBQQFSDKUJACC-QMMMGPOBSA-N 251.286 -0.071 70 20 CBID C[C@H](CO)CNS(=O)(=O)c1cn(C)c(Cl)n1 159707185 JGYDHPPTFDWOFT-LURJTMIESA-N 267.738 -0.020 70 20 CBID CC(=O)N(C)CC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 160645846 AGFXBPJPNRMKKW-QWRGUYRKSA-N 267.329 -0.408 70 20 CBID CO[C@H]1CCN(S(=O)(=O)c2cn[nH]c2C)[C@@H](CN)C1 161153518 MWVBANDNJRGZRX-ZJUUUORDSA-N 288.373 -0.155 70 20 CBID O=C(NCCCO)c1cc(S(=O)(=O)F)c[nH]1 1346040885 QXLJRNWTTBFLGY-UHFFFAOYSA-N 250.251 -0.215 70 20 CBID COC(=O)[C@@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 159389447 JXDWKJAZFXRMIL-ZYHUDNBSSA-N 283.372 -0.038 70 20 CBID CC(=O)N1CCOC[C@H]1C(=O)N1CCN(C(C)C)CC1 159793266 CPNXVSZQJKPSAA-ZDUSSCGKSA-N 283.372 -0.214 70 20 CBID O=C1CC[C@H]2CN(C(=O)CN3CSCC3=O)CC[C@@H]2N1 160663745 XHYXXEDQVXCOIR-UWVGGRQHSA-N 297.380 -0.354 70 20 CBID C[C@]1(C(=O)N2CCC[C@H](C(=O)NCCN)C2)CCCNC1 161273110 YPXCXQCSUUQNCY-WFASDCNBSA-N 296.415 -0.310 70 20 CBID O=C(NC[C@H](F)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1601521259 BBCIXFFEDDRPJK-YFKPBYRVSA-N 282.224 -0.175 70 20 CBID CCN(CC)[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O 159973516 WOZAULSSXOYPNV-IUCAKERBSA-N 270.333 -0.569 70 20 CBID CC(=O)N(C)CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160645666 AGFXBPJPNRMKKW-MNOVXSKESA-N 267.329 -0.408 70 20 CBID O=C1NC2(CCOCC2)C(=O)N1CCS(=O)(=O)F 1333164062 QDAHRYMWLIUCMR-UHFFFAOYSA-N 280.277 -0.613 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1ccnn1C 159828350 TUOGTWWZPVDOJQ-JTQLQIEISA-N 266.301 -0.716 70 20 CBID COC[C@H](C)S(=O)(=O)NC[C@H](C)CN1CCOCC1 160403903 YGMPRMRTLVEFNE-RYUDHWBXSA-N 294.417 -0.091 70 20 CBID COC(=O)[C@H](O)CNC(=O)CCc1c(C)nn(C)c1C 217670673 YFTXZNVJQBETLV-LLVKDONJSA-N 283.328 -0.380 70 20 CBID C[C@H](O)CN(C)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 159420447 FDWCUDPFYAIMOO-GARJFASQSA-N 292.401 -0.667 70 20 CBID COC[C@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1 160908430 UHKYFROSMFBMPM-SECBINFHSA-N 277.346 -0.250 70 20 CBID O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCNC1 160821805 WYFJNMWILKXUAW-NXEZZACHSA-N 251.330 -0.135 70 20 CBID Cn1cc(N2CCN(C(=O)[C@@H]3CSCN3)CC2=O)cn1 161022872 QPBRZYFAPKDDFI-JTQLQIEISA-N 295.368 -0.742 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(CO)o1 159818686 YSQGYVMHABSANF-LLVKDONJSA-N 282.296 -0.365 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 160387847 SWEUYEWTZQJGAL-VHSXEESVSA-N 258.318 -0.225 70 20 CBID COCC(=O)N(C)CC(=O)N[C@H](CO)CC(C)C 161108595 TYIFBWQMQIYITB-JTQLQIEISA-N 260.334 -0.386 70 20 CBID COCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1521439376 YRJJFXWCINWZGF-ZETCQYMHSA-N 294.304 -0.200 70 20 CBID C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)C(N)=O 160952582 YJMPCQYSLYKRSK-MRVPVSSYSA-N 259.269 -0.129 70 20 CBID CNS(=O)(=O)[C@H]1CCN(C(=O)C(C)(C)COC)C1 161264891 QAPURQNBPXIZPS-VIFPVBQESA-N 278.374 -0.191 70 20 CBID CNC(=O)CCCN(C)S(=O)(=O)[C@@H](C)COC 159395168 DKQZLZMQCCTQCH-VIFPVBQESA-N 266.363 -0.191 70 20 CBID CC(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 161089061 WVERLWBQPLMASL-QWHCGFSZSA-N 299.415 -0.080 70 20 CBID C[C@H]1CC[C@@H](C(=O)NCCCc2nc(=O)[nH][nH]2)O1 159843018 XFGWGKYHXGAKFJ-YUMQZZPRSA-N 254.290 -0.286 70 20 CBID CN1CC[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1=O 159649117 GRPVYUWMGLRWCJ-JTQLQIEISA-N 273.296 -0.071 70 20 CBID CCN1CCN(C(=O)[C@@H](C)N(C)C[C@@H](C)O)CC1 159424238 CTHVUPYFIHEHFM-VXGBXAGGSA-N 257.378 -0.148 70 20 CBID CN1CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O 159625210 ZPQLLOWTSFNFOD-RYUDHWBXSA-N 261.325 -0.097 70 20 CBID Cn1cnc(S(=O)(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 160720325 NPIMAAXDRFGEIH-NXEZZACHSA-N 298.368 -0.291 70 20 CBID CNS(=O)(=O)c1ccc(CCC(=O)NCCCN)cc1 160135663 SGGVJRABXWEWMC-UHFFFAOYSA-N 299.396 -0.008 70 20 CBID CCC[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12 160023938 DPAYSRICYHUJBS-QMMMGPOBSA-N 291.311 -0.281 70 20 CBID NC(=O)c1ccc(-c2nnn(CCS(=O)(=O)F)n2)cc1 883953922 QMZLEZTWVSBFRC-UHFFFAOYSA-N 299.287 -0.262 70 20 CBID C[C@@H](CC(N)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263791250 NLRMIKVSCCTJFV-YFKPBYRVSA-N 277.277 -0.333 70 20 CBID O=C(NC[C@@H]1COCO1)c1cc(S(=O)(=O)F)c[nH]1 1347340378 OUFPKHJONZRCOG-ZCFIWIBFSA-N 278.261 -0.224 70 20 CBID CO[C@@H](C(=O)O)C(=O)Nc1ncc(S(=O)(=O)F)s1 1593913918 AULOBCSMJIKWOI-SCSAIBSYSA-N 298.273 -0.161 70 20 CBID C[C@@H]1COCCN1C(=O)NC[C@H]1CCCS1(=O)=O 159785559 AQJHJLYAWOTFGG-NXEZZACHSA-N 276.358 -0.006 70 20 CBID CC[C@](C)(O)CNS(=O)(=O)N(C)CCOC 160282320 STUDYFSMAZMXGV-VIFPVBQESA-N 254.352 -0.440 70 20 CBID C[S@](=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527565555 LRQRFXBXKRZWTD-INIZCTEOSA-N 282.318 -0.219 70 20 CBID CCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@@H]1CN 161205667 LOXFWDBIACHBQR-ZJUUUORDSA-N 272.349 -0.730 70 20 CBID CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N 160051702 VBRUCLVRUMENQQ-IUCAKERBSA-N 279.406 -0.196 70 20 CBID Cn1c(=O)c2[nH]c(N3CCC(C)(O)CC3)nc2n(C)c1=O 160737903 OPJNCBLOESWLHP-UHFFFAOYSA-N 293.327 -0.689 70 20 CBID NS(=O)(=O)CCNC(=O)CSCC(F)(F)F 161215175 LXAUTSJXVMANOR-UHFFFAOYSA-N 280.293 -0.313 70 20 CBID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1 1123566973 AVKPHMFPSWALMU-UHFFFAOYSA-N 275.261 -0.755 70 20 CBID Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCN(C)C1=O 160472193 SBGARZNLTYJEQH-VIFPVBQESA-N 286.357 -0.454 70 20 CBID O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CC(O)C1 161411720 SSIMCXLPNXFREQ-NXEZZACHSA-N 266.297 -0.635 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CSCN1 160093017 BGBOHXHQYRBXIN-HTQZYQBOSA-N 266.388 -0.412 70 20 CBID CS(=O)(=O)CCC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 160672873 VJJJJYDNBLBEBE-UWVGGRQHSA-N 288.369 -0.452 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](O)[C@H](CO)C1 1346795387 DRFQANVZSWZQRQ-IMTBSYHQSA-N 292.288 -0.902 70 20 CBID CC[C@H](CCO)NC(=O)[C@H]1CC(=O)N(CCOC)C1 159425783 GSNAUVRZKKNUOR-WDEREUQCSA-N 272.345 -0.242 70 20 CBID CC1(C)NC(=O)N(CCN2CCC(OCCO)CC2)C1=O 160430114 KJGKDNNYVHUPSZ-UHFFFAOYSA-N 299.371 -0.210 70 20 CBID CCN1CCN(CC(=O)N[C@H]2CCC[C@H](N)C2)C(=O)C1=O 161500116 IBZKYALPDTYANW-QWRGUYRKSA-N 296.371 -0.937 70 20 CBID CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1354031627 HCICEUNDLOUZBM-ZCFIWIBFSA-N 291.304 -0.073 70 20 CBID COC[C@H](C)S(=O)(=O)N[C@@H]1CCN(C)C1=O 160488942 ZRWOCUZNKOYNOS-JGVFFNPUSA-N 250.320 -0.829 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3)C2=O)cn1 161141631 KQMMTVBTCMATMX-PWSUYJOCSA-N 291.355 -0.359 70 20 CBID CS(=O)(=O)N1CCC[C@H](S(=O)(=O)Cl)C1 307462696 GHLDMYUQRGKUDG-LURJTMIESA-N 261.752 -0.021 70 20 CBID COC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123726994 GXPYGSVHSOFPRJ-ZCFIWIBFSA-N 280.277 -0.590 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H](N)C(C)C 160095592 HDHNYAXZRBRQNP-IUCAKERBSA-N 250.364 -0.091 70 20 CBID CCS(=O)(=O)NCC(=O)NCc1cc(C)no1 160425519 JQBHOXQMCXZAMU-UHFFFAOYSA-N 261.303 -0.461 70 20 CBID O=C(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1606263702 DROOWMWRRURBPF-UHFFFAOYSA-N 250.207 -0.513 70 20 CBID NC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@H](C1)N2 159985840 SYLTVOLIPNWALT-AXFHLTTASA-N 266.345 -0.118 70 20 CBID NC(=O)[C@@H]1CC[C@@H](CNC(=O)NCCc2ccccn2)O1 160243790 CAVSOVDNCXHFPK-RYUDHWBXSA-N 292.339 -0.044 70 20 CBID CCN(CC(=O)N1CCNC1=O)Cc1cnn(C)c1 161089598 NOHLZJIIXSUPFO-UHFFFAOYSA-N 265.317 -0.206 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1c(C)cc(C)[nH]c1=O 217722835 PTKSHHGDQDAUQQ-QMMMGPOBSA-N 268.269 -0.745 70 20 CBID CN[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 160598366 IPDPMXHWJOVYEL-JTQLQIEISA-N 294.355 -0.329 70 20 CBID CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)[C@H](CN)C1 161158657 AVYWWZLWVUNBQI-TUAOUCFPSA-N 292.401 -0.067 70 20 CBID CC(C)N1C[C@H](NC(=O)NCCN2CCOCC2)CC1=O 217288318 ZBXNCJFYCNOZLG-GFCCVEGCSA-N 298.387 -0.373 70 20 CBID COC(=O)[C@H](O)CNC(=O)[C@@H](C)NC(=O)C(C)(C)C 217681506 NOWAFOVDJXFWAL-HTQZYQBOSA-N 274.317 -0.813 70 20 CBID CN(C[C@H](O)CO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760906 NQNVHXROWWEODM-LURJTMIESA-N 280.277 -0.902 70 20 CBID CCOC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346040599 LFBWJNJTYSVPDQ-UHFFFAOYSA-N 278.261 -0.034 70 20 CBID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1346320128 NXHCMSOXXNEBCP-SCSAIBSYSA-N 263.250 -0.724 70 20 CBID CSCC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 160822624 FRDDKOXNEREUMW-PSASIEDQSA-N 271.386 -0.054 70 20 CBID CCCC(=O)N1CSC[C@H]1C(=O)N1CC(O)C1 161417232 JTYOHDIZJGBYEV-VIFPVBQESA-N 258.343 -0.109 70 20 CBID COC(=O)[C@H](C)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159446512 YUFYEVUYMVTLIJ-JTQLQIEISA-N 293.323 -0.306 70 20 CBID COCCN(CCO)C(=O)c1nc2nc(C)cc(C)n2n1 160613084 QZPGGSSMJNFYBJ-UHFFFAOYSA-N 293.327 -0.178 70 20 CBID COCC(=O)N(C)CC(=O)NCCn1cccn1 159727798 VAQVWICROCCNGF-UHFFFAOYSA-N 254.290 -0.896 70 20 CBID C[C@@H]1COCCN1C(=O)NC[C@@H]1CCCS1(=O)=O 159785301 AQJHJLYAWOTFGG-ZJUUUORDSA-N 276.358 -0.006 70 20 CBID O=C(NCCNC[C@H](O)COC[C@H]1CCCO1)C1CC1 160742701 PWZGCSXMLLJLSS-QWHCGFSZSA-N 286.372 -0.341 70 20 CBID CCN(CC(=O)NC(=O)NC)Cc1cnn(C)c1 161075023 RDCVYMZUZXUEHG-UHFFFAOYSA-N 253.306 -0.302 70 20 CBID O=C1CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@@H]2N1 160643389 KVXMLVFYHIBSKA-UWVGGRQHSA-N 263.301 -0.595 70 20 CBID CCN(CC)CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1 161483670 YJUPCTOUDNYQQE-LLVKDONJSA-N 283.376 -0.253 70 20 CBID CC(C)N1C[C@@H](NC(=O)NCCN2CCOCC2)CC1=O 217288320 ZBXNCJFYCNOZLG-LBPRGKRZSA-N 298.387 -0.373 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCS(=O)CC1 1345750808 ZXBUPHRUFTWZEK-UHFFFAOYSA-N 294.329 -0.123 70 20 CBID COC[C@@](C)(CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348818087 TUWKFDOCVOFTBG-SNVBAGLBSA-N 294.304 -0.200 70 20 CBID CC(=O)N1CCN(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)CC1 159485554 GOYLAJUOPMHZSY-KBPBESRZSA-N 297.399 -0.230 70 20 CBID C[C@@H]1CC[C@H](C(=O)NCCCc2nc(=O)[nH][nH]2)O1 159842713 XFGWGKYHXGAKFJ-HTQZYQBOSA-N 254.290 -0.286 70 20 CBID COC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527341901 VMJSKPXKLLCRRT-UHFFFAOYSA-N 264.234 -0.424 70 20 CBID COC[C@H](C)S(=O)(=O)N[C@H]1CCN(C)C1=O 160489130 ZRWOCUZNKOYNOS-YUMQZZPRSA-N 250.320 -0.829 70 20 CBID CNC(=O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263697436 YNHFOECOIGFKRX-UHFFFAOYSA-N 277.277 -0.509 70 20 CBID CC[C@@H]1C(=O)NCCN1c1cc(COC)nc2ncnn12 160415865 DMYYGHVGEAPCJZ-SNVBAGLBSA-N 290.327 -0.015 70 20 CBID CN(C)C(=O)NCCNC(=O)[C@H](N)Cc1ccccc1 160854352 MTNCZQXJDOACSM-GFCCVEGCSA-N 278.356 -0.056 70 20 CBID CS(=O)(=O)NCCCNC(=O)[C@@H]1CCCCO1 161261902 DMVSUNCOHNTVPE-VIFPVBQESA-N 264.347 -0.389 70 20 CBID COC[C@H](O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217056460 XIEOLCCIOBMCKA-MCIONIFRSA-N 299.415 -0.426 70 20 CBID C[C@@H](C(N)=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 160594997 UANJKCDRGDRAQS-QWRGUYRKSA-N 268.361 -0.901 70 20 CBID C[C@@H](CNC(=O)c1cn(CCN)nn1)N1CCCC1 161073524 GMHUPRDJSDCMIZ-JTQLQIEISA-N 266.349 -0.549 70 20 CBID CN(C)C(=O)CCNC(=O)CS(=O)(=O)C(C)(C)C 160831785 WTCBXEYSIKEGAO-UHFFFAOYSA-N 278.374 -0.206 70 20 CBID C[C@H](CO)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 161273539 MWZZPZIGIKGNDW-SSDOTTSWSA-N 285.325 -0.143 70 20 CBID COC[C@@](C)(O)CNS(=O)(=O)c1cnn(C)c1 217572753 CWRHVIYBZVVQGW-VIFPVBQESA-N 263.319 -0.904 70 20 CBID CCCS(=O)(=O)N1CCCS(=O)(=O)CC1 217748987 UBTJPFUEWVUPJE-UHFFFAOYSA-N 255.361 -0.153 70 20 CBID O=C(N[C@]1(CO)CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1348034304 KDMABJFQEHGMOS-JTQLQIEISA-N 292.288 -0.446 70 20 CBID CCc1nc(CN2CCO[C@@H](C(=O)NC)C2)n[nH]1 160756091 RWCBDUNABSEMEZ-MRVPVSSYSA-N 253.306 -0.686 70 20 CBID CN(CCO)C(=O)NCCN1C(=O)c2ccccc2C1=O 217282242 UFBCTLHNJCELNC-UHFFFAOYSA-N 291.307 -0.084 70 20 CBID CCOCCS(=O)(=O)NC[C@@H](C)CN1CCOCC1 160362197 ZDIPNUGXGYVOPJ-GFCCVEGCSA-N 294.417 -0.089 70 20 CBID NC(=O)[C@H]1CC[C@@H](CN[C@@H](C(N)=O)c2ccccc2)O1 160785533 MJIXLVRZFPCHMV-QJPTWQEYSA-N 277.324 -0.165 70 20 CBID COC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCC(=O)N1 216826474 FHKXXGHDCDPNDB-DTWKUNHWSA-N 254.286 -0.181 70 20 CBID COCC(=O)N(C)CC(=O)NC[C@H]1CCCCO1 160106602 OMLDJSCIIVXATM-SNVBAGLBSA-N 258.318 -0.224 70 20 CBID CN(C)S(=O)(=O)NC[C@H](O)COc1ccc(F)cc1 159979031 KPPPXYMSTHDCPS-JTQLQIEISA-N 292.332 -0.039 70 20 CBID CNC(=O)CCCN(C)C(=O)CNC(=O)c1ccco1 159383060 GRTGCETWXVLDKG-UHFFFAOYSA-N 281.312 -0.006 70 20 CBID C[C@H]1CC[C@H](C(=O)NCCCc2nc(=O)[nH][nH]2)O1 159842837 XFGWGKYHXGAKFJ-JGVFFNPUSA-N 254.290 -0.286 70 20 CBID O=C(CN1CCCCC1=O)NC[C@@H](O)CN1CCCCC1 160069306 WPTVCXHKOBFLSL-CYBMUJFWSA-N 297.399 -0.038 70 20 CBID C[C@H]1CN(S(=O)(=O)N2CC[C@@H](O)C2)[C@H](C)CO1 161154411 AXHBFHJZDLQEAK-KXUCPTDWSA-N 264.347 -0.593 70 20 CBID O=C(NCCO)NCCCN1C(=O)c2ccccc2C1=O 217306193 CYSXLBBHRZPQOU-UHFFFAOYSA-N 291.307 -0.036 70 20 CBID O=C1CC[C@@H]2CN(C(=O)C[C@@H]3COCCN3)CC[C@@H]2N1 160240090 UDWRJUHJVUJXEX-UTUOFQBUSA-N 281.356 -0.508 70 20 CBID COCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160582558 RMFGLJIHLGWFKA-RKDXNWHRSA-N 264.347 -0.533 70 20 CBID CN1CC[C@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 216660218 RVKOIGWNGDIBHC-UWVGGRQHSA-N 260.359 -0.416 70 20 CBID C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217050422 ZFILTRYOZCBNDE-UTUOFQBUSA-N 282.388 -0.560 70 20 CBID C=CC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123523361 BVWSOEVWKFPLRQ-UHFFFAOYSA-N 289.288 -0.295 70 20 CBID CC[C@H](C(N)=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 159410682 WYZUERQFQSRPDU-VXGBXAGGSA-N 282.388 -0.336 70 20 CBID Cn1cnc(-c2cccc(NC(=O)NC[C@@H](O)CO)c2)n1 161458635 BWVVHGXUEQIFDS-LLVKDONJSA-N 291.311 -0.043 70 20 CBID C[C@@H](O)[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O 1599845809 YOHYEYPURKLOBA-FBCQKBJTSA-N 294.260 -0.763 70 20 CBID COC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 159437240 JBGOOSKZMOBIPC-SNVBAGLBSA-N 255.318 -0.103 70 20 CBID O=C(Cn1cnnn1)Nc1ccc(S(=O)(=O)F)cc1 123109206 NEYIVLGZVDEBJK-UHFFFAOYSA-N 285.260 -0.030 70 20 CBID NC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c(Cl)c1 160363434 UUJWDCUKNLUVSO-UHFFFAOYSA-N 287.678 -0.108 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cnc2c(c1)c(C)nn2C 217738577 JDSBWTAHGMBEHZ-SNVBAGLBSA-N 292.295 -0.460 70 20 CBID CCN1CCCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 159986849 FMCUHVINUPBPFS-NWDGAFQWSA-N 298.387 -0.244 70 20 CBID COC[C@H](O)CCNC(=O)CNC(=O)c1cccs1 161366709 NFPHEGWZCIBMLM-SECBINFHSA-N 286.353 -0.009 70 20 CBID CC(C)[C@@H]1NC(=O)N(CCS(=O)(=O)F)C1=O 883953421 VEAQLQODNCXCSR-LURJTMIESA-N 252.267 -0.138 70 20 CBID O=C1c2cccnc2S(=O)(=O)N1CCS(=O)(=O)F 883953831 MJMMYVFWKNUJEN-UHFFFAOYSA-N 294.285 -0.475 70 20 CBID Cc1cc(COC(=O)Cn2ncn(C)c2=O)nc(C)n1 159737054 SKMABYYWKYFCFP-UHFFFAOYSA-N 277.284 -0.268 70 20 CBID CC(C)(N)CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 160006472 DRHGDZBQSCTIAO-QMMMGPOBSA-N 265.317 -0.384 70 20 CBID COC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 159437100 JBGOOSKZMOBIPC-JTQLQIEISA-N 255.318 -0.103 70 20 CBID CN(CC(=O)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1598410224 LAQBIQLYLNPFII-UHFFFAOYSA-N 264.234 -0.171 70 20 CBID Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCCO 159402574 LBXXIZZTZJULQR-UHFFFAOYSA-N 276.314 -0.440 70 20 CBID COC[C@H](O)CNC(=O)CNC(=O)Cc1ccccc1 159542244 ZGAPYBZYIBIRGA-GFCCVEGCSA-N 280.324 -0.531 70 20 CBID CC(C)CN(CC(N)=O)C(=O)CS(=O)(=O)C(C)C 159694538 VMALLSVQXXXSIP-UHFFFAOYSA-N 278.374 -0.221 70 20 CBID Cn1cnnc1CN1CCN(CC(=O)NC2CC2)CC1 160712105 RRVOSALWVYGLDS-UHFFFAOYSA-N 278.360 -0.789 70 20 CBID CCNC(=O)CN1CCN(Cc2nncn2C)CC1 160754546 WOXFPOJLRHEKBL-UHFFFAOYSA-N 266.349 -0.931 70 20 CBID COCCN(CCn1ccnc1)CC(=O)N(C)C 159754063 JICLCWYGQUMDST-UHFFFAOYSA-N 254.334 -0.080 70 20 CBID COCCCS(=O)(=O)NC[C@H](C)CN1CCOCC1 160372815 BOBJNHZBKQQYLR-LBPRGKRZSA-N 294.417 -0.089 70 20 CBID CC(=O)NCCNC(=O)CCC(=O)NC1CC=CC1 160838556 RBYBHRNDBNWOGN-UHFFFAOYSA-N 267.329 -0.146 70 20 CBID COC[C@H](O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123648816 MYJRFSMCNUUCGG-SSDOTTSWSA-N 294.304 -0.200 70 20 CBID COC(=O)[C@H](O)CNC(=O)CNC(=O)c1ccccc1 217713525 DBJDJYRXBHMDLE-SNVBAGLBSA-N 280.280 -0.934 70 20 CBID COC(=O)CN(C(=O)CN1CCC(=O)NC1=O)C(C)C 218189555 QIAJOQDPLMQGDC-UHFFFAOYSA-N 285.300 -0.662 70 20 CBID COC(=O)CNC(=O)CCN(C)C[C@H]1CCC[C@@H]1O 159788507 HKRRBBVLAUCPEO-MNOVXSKESA-N 272.345 -0.242 70 20 CBID CS(=O)(=O)N[C@H]1CCN(C(=O)C2(CN)CCCC2)C1 159395034 QLTPURKXKDPKEO-JTQLQIEISA-N 289.401 -0.344 70 20 CBID CCOCCS(=O)(=O)N[C@H]1CCC(=O)N(C)C1 160046818 GYNWTAWPDXTEIV-VIFPVBQESA-N 264.347 -0.437 70 20 CBID O=c1n(CCS(=O)(=O)F)nnn1-c1ccccc1 883953323 QNEHOCXFVISBMN-UHFFFAOYSA-N 272.261 -0.272 70 20 CBID COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1CCN(C(C)=O)C1 159822493 OLNMALVHFMAZEK-AEJSXWLSSA-N 254.286 -0.468 70 20 CBID COC(=O)[C@H](O)CNC(=O)[C@H](C)NC(=O)C(C)(C)C 217681671 NOWAFOVDJXFWAL-JGVFFNPUSA-N 274.317 -0.813 70 20 CBID Cn1c(C(=O)NCC(=O)NCC(F)(F)F)cccc1=O 160186223 LSQXQGOYAUDQMW-UHFFFAOYSA-N 291.229 -0.206 70 20 CBID CCN(CC)S(=O)(=O)NCC1CCN(CCO)CC1 161408997 CXBSVBDUXIBLDR-UHFFFAOYSA-N 293.433 -0.133 70 20 CBID COC(=O)[C@H](O)CNC(=O)COc1ccccc1F 217711419 ZTMGNQLYGRYACQ-SECBINFHSA-N 271.244 -0.145 70 20 CBID CO[C@H](C)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 160644887 RJKPTNLYHJXVPZ-HTQZYQBOSA-N 250.320 -0.699 70 20 CBID CCC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@H]2C)C1 161476786 LHTPWXFXPRHESV-ZJUUUORDSA-N 267.329 -0.408 70 20 CBID CCCCN(CCO)C(=O)[C@@H]1CC(=O)NC(=O)N1 217141071 IEJXLVDKQSNZCY-QMMMGPOBSA-N 257.290 -0.795 70 20 CBID CCCN(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 160674631 XOJGLUPTIMOLKK-LLVKDONJSA-N 280.390 -0.050 70 20 CBID C[C@@H](CO)CNC(=O)c1cccc(OCC(N)=O)c1 160434787 PLGVPICIOAYJSR-SECBINFHSA-N 266.297 -0.091 70 20 CBID CCN1CCN(CC(=O)NC2CC=CC2)C(=O)C1=O 160948009 KHGIBIBLVWPWAT-UHFFFAOYSA-N 265.313 -0.488 70 20 CBID NC[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O 160381435 PLFVQZTVXSJJEL-SNVBAGLBSA-N 287.323 -0.259 70 20 CBID CCN(CC)CCNC(=O)N1CCN2C(=O)NC[C@H]2C1 161483754 YJUPCTOUDNYQQE-NSHDSACASA-N 283.376 -0.253 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnccn1 160331998 SCXDOCCWYCBXOJ-VHSXEESVSA-N 298.368 -0.076 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]nn1 160565130 GJQHGNARQZKCMK-YUMQZZPRSA-N 287.345 -0.748 70 20 CBID CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cnn(C)c1 161132106 MMSGCXAKDJEQSI-NSHDSACASA-N 295.387 -0.165 70 20 CBID CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1O 161176787 QCFOCDDAKWOEJN-LPEHRKFASA-N 292.401 -0.020 70 20 CBID C[C@@H](C(N)=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 160595201 UANJKCDRGDRAQS-WDEREUQCSA-N 268.361 -0.901 70 20 CBID CC(C)NC(=O)CN1CCN(Cc2nncn2C)CC1 160703027 MQYHLVNQXKITKK-UHFFFAOYSA-N 280.376 -0.543 70 20 CBID COCCNCC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 160223969 DCMIZFWMNIJBQD-WDEREUQCSA-N 269.345 -0.651 70 20 CBID O=C(NC[C@@H]1COCCO1)c1cc(S(=O)(=O)F)c[nH]1 1346209497 RMMABSOPTNEBJU-SSDOTTSWSA-N 292.288 -0.182 70 20 CBID CN[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 160505486 RFBBZJQLEVKPFV-HZMBPMFUSA-N 294.355 -0.473 70 20 CBID COCCNC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 217307261 CXUJMQYYFPTVKI-JTQLQIEISA-N 294.373 -0.522 70 20 CBID Cc1cc(OCC(=O)N2CCC[C@@H](C(N)=O)C2)nn1C 159823786 BHJOWCBPFZWPPN-SNVBAGLBSA-N 280.328 -0.169 70 20 CBID C[C@H](C(N)=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 160595298 UANJKCDRGDRAQS-GHMZBOCLSA-N 268.361 -0.901 70 20 CBID Cn1cc(N2CCN(C(=O)[C@H]3CCCCN3)CC2=O)cn1 161023244 CAHAWPPEIPHEGA-GFCCVEGCSA-N 291.355 -0.263 70 20 CBID CCOCCS(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 160046695 GYNWTAWPDXTEIV-SECBINFHSA-N 264.347 -0.437 70 20 CBID Cn1c(=O)ccn(CC(=O)NCC2(CO)CCCC2)c1=O 160283568 AYVXXKUPGXTCGK-UHFFFAOYSA-N 295.339 -0.784 70 20 CBID O=C1CC[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[C@H]2N1 160588149 SEMFAZKAODGXFD-DTWKUNHWSA-N 276.296 -0.489 70 20 CBID O=C1CC[C@@H]2CN(C(=O)Cn3cncn3)CC[C@@H]2N1 160643136 KVXMLVFYHIBSKA-ZJUUUORDSA-N 263.301 -0.595 70 20 CBID CC[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)CNC(C)=O 159515424 MESRPBQTLFFPBZ-MNOVXSKESA-N 269.345 -0.066 70 20 CBID O=C1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CCN1 160692931 MMYOAJKMWLVYEI-NSHDSACASA-N 266.345 -0.388 70 20 CBID COCCN(C)S(=O)(=O)N1CCC[C@H]1CO 159837705 RTXLOOMHPALSGJ-VIFPVBQESA-N 252.336 -0.734 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOCCN1 1349623635 ZKQHVIPXVLFJLV-UHFFFAOYSA-N 277.277 -0.350 70 20 CBID COC[C@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O 159530044 HPZLRSIFGTWCPR-ZYHUDNBSSA-N 272.345 -0.243 70 20 CBID CN1CC[C@H](NC(=O)NCCn2cccn2)C1=O 160045640 MNDOFJICYTUVMA-VIFPVBQESA-N 251.290 -0.587 70 20 CBID CC(C)[C@H](N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161142395 ZLUFEIAUYYUUTD-QWRGUYRKSA-N 279.344 -0.375 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1123828602 HMUFBUSSPAOTDK-BRPSZJMVSA-N 288.300 -0.017 70 20 CBID CCN(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 160706297 DLRRJACEOVPCDY-SNVBAGLBSA-N 266.363 -0.440 70 20 CBID COC[C@@H](C)S(=O)(=O)NC[C@@](C)(O)CN(C)C 161467303 QHTCZRGQIZHQOD-NXEZZACHSA-N 268.379 -0.747 70 20 CBID C[C@H](C(N)=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 160595087 UANJKCDRGDRAQS-MNOVXSKESA-N 268.361 -0.901 70 20 CBID CNC(=O)C(C)(C)CNc1ncccc1S(N)(=O)=O 161085639 NVLKMKNAWNFFTF-UHFFFAOYSA-N 286.357 -0.087 70 20 CBID CCC(=O)N1CC[C@@H](C(=O)N2CCCN(C(N)=O)CC2)C1 161417707 COGJXOVZQXKIMV-LLVKDONJSA-N 296.371 -0.142 70 20 CBID O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CC(O)C1 161457191 MHIBIEHMYGLWOD-UHFFFAOYSA-N 289.291 -0.717 70 20 CBID O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1CCCN1 159671984 JEIFYURTGDPROR-NSHDSACASA-N 289.401 -0.426 70 20 CBID CN(CCN1CCN(c2ccccc2)CC1)S(N)(=O)=O 160355163 DBFFUAWZOXVFNK-UHFFFAOYSA-N 298.412 -0.056 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccnc(N(C)C)c1 217701472 ZBUGMYRLIXFBLW-VIFPVBQESA-N 267.285 -0.589 70 20 CBID C[C@@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NCCO 159458444 OEMUJHACVLKAHN-MRVPVSSYSA-N 276.296 -0.210 70 20 CBID C[C@@H](CNS(=O)(=O)c1c[nH]cn1)CN1CCOCC1 160364594 OFMACOGHADJSNE-JTQLQIEISA-N 288.373 -0.344 70 20 CBID COC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217024247 PHKPTKPWSOHYLX-RYUDHWBXSA-N 283.372 -0.260 70 20 CBID CON(CCN)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1579105198 JUZYJEJEOZQNGC-UHFFFAOYSA-N 265.266 -0.365 70 20 CBID CCS(=O)(=O)NCC(=O)NC[C@H]1CCCCO1 160107768 OYKWQHOBHOPRGB-SECBINFHSA-N 264.347 -0.389 70 20 CBID O=C(C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)N1CCNCC1 160864184 FFTYAHUNZDTMLO-WFASDCNBSA-N 295.383 -0.428 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOCN1 1263935698 KUYYHCKSQKMLRB-UHFFFAOYSA-N 263.250 -0.393 70 20 CBID N[C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)CCC1=O 160041161 LRMKTHGLZYBAIJ-LBPRGKRZSA-N 289.335 -0.178 70 20 CBID C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCCN)C2)CCCNC1 161273548 YPXCXQCSUUQNCY-IUODEOHRSA-N 296.415 -0.310 70 20 CBID CC[C@@H](C)N(C)CCNCc1cn(C)c(=O)n(C)c1=O 217393997 FURDIMHCQORIPD-LLVKDONJSA-N 282.388 -0.096 70 20 CBID CC(C)NC(=O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 159421531 AIEMLSZNJOQTBZ-ZDUSSCGKSA-N 296.415 -0.075 70 20 CBID COCCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160721287 YFJCEBKRKLXKHQ-MNOVXSKESA-N 290.385 -0.047 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)[C@H]3CSCN3)C2=O)cn1 161140236 ZRPRLWDAVZOSMI-VHSXEESVSA-N 295.368 -0.696 70 20 CBID N[C@@H]1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 160312747 JWCWTGKFSFVKRQ-SECBINFHSA-N 260.297 -0.111 70 20 CBID C[C@H](C(=O)NC1CC1)N1CCN(Cc2nncn2C)CC1 160735517 CWKHAOSFCMANEU-LLVKDONJSA-N 292.387 -0.400 70 20 CBID CN(C)S(=O)(=O)c1cn(CCS(=O)(=O)F)cn1 883953892 OXCXIHKXINPZHB-UHFFFAOYSA-N 285.322 -0.567 70 20 CBID COC[C@@H](O)CNC(=O)[C@H](C(C)C)N1CCCC1=O 159529494 HPZLRSIFGTWCPR-JQWIXIFHSA-N 272.345 -0.243 70 20 CBID O=C(NCCCOCC1CCOCC1)[C@@H]1CNCCO1 160582735 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CC(C)C[C@@H](CO)NC(=O)CN1CCN(C)CC1 160855884 KAXZIYGRZUEPFV-LBPRGKRZSA-N 257.378 -0.243 70 20 CBID O=S(=O)(F)CCn1nnnc1Cc1ccccn1 883953924 QPINQHQMRVRJBS-UHFFFAOYSA-N 271.277 -0.042 70 20 CBID CC[C@H](C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1)N(C)C 159720512 OYKXWJDXSSZHDN-IJLUTSLNSA-N 255.362 -0.132 70 20 CBID O=C(O)Cn1ncn2cc(S(=O)(=O)Cl)cc2c1=O 97972913 AIUZWSIOTZLJDD-UHFFFAOYSA-N 291.672 -0.492 70 20 CBID COC(=O)CCNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O 159462511 CXYNAEGTKSPKMH-QWRGUYRKSA-N 272.345 -0.242 70 20 CBID NC(=O)[C@@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 160777424 CMPOQWKWNZVOKI-UTUOFQBUSA-N 295.314 -0.025 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(-n2ccnc2)nc1 217685354 OBRCRJJZAPAKOJ-JTQLQIEISA-N 290.279 -0.469 70 20 CBID CC(C)C[C@@H](CO)NC(=O)CN1CCS(=O)(=O)CC1 160694299 WQZUMLQWXKIZRD-NSHDSACASA-N 292.401 -0.760 70 20 CBID COC[C@H](O)CCNC(=O)COc1c(C)nn(C)c1C 161019193 ACKCSKJDVAPSOT-LLVKDONJSA-N 285.344 -0.071 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CCNC(=O)C(C)(C)C 217734595 QUQFTBVFYHYIIL-QMMMGPOBSA-N 274.317 -0.811 70 20 CBID CCn1c(C)nn(CCS(=O)(=O)Cl)c1=O 536958519 GOCPDHLFSAQGTP-UHFFFAOYSA-N 253.711 -0.058 70 20 CBID NC(=O)c1ccc(OCC(=O)N2CC[C@@H](N)C2)cc1 160260974 RAHHGZQSWDSLSM-SNVBAGLBSA-N 263.297 -0.276 70 20 CBID CNC(=O)CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 161449642 PUXRKYBLZPHURT-UHFFFAOYSA-N 276.296 -0.268 70 20 CBID CN1CC[C@H](NC2=NS(=O)(=O)c3ccccc32)C1=O 217504999 WBNLIOLOFKXOAW-VIFPVBQESA-N 279.321 -0.044 70 20 CBID O=[N+]([O-])c1cn(CCS(=O)(=O)F)nc1-c1nn[nH]n1 1593486728 JDPPEVSAIKXOKZ-UHFFFAOYSA-N 291.224 -0.729 70 20 CBID COC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 159430317 OJPWZZQNGZIQSB-NWDGAFQWSA-N 280.324 -0.139 70 20 CBID N[C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)CNC1=O 160067572 UDGKZNCDTQQZBF-NSHDSACASA-N 290.323 -0.776 70 20 CBID Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@@H](N)C3)CC2=O)cn1 159386270 IMDCHZYVMPWROV-GHMZBOCLSA-N 291.355 -0.277 70 20 CBID NC[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 160225052 FAAOLAFNXJJZCQ-JTQLQIEISA-N 294.355 -0.199 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc2c(c1)OCO2 217708878 ZHYJOIZMCDWKID-MRVPVSSYSA-N 267.237 -0.321 70 20 CBID O=C1CCCN1CC(=O)N1C[C@@H]2CCC[C@H](C1)N2 160718213 RPALTNYTIMBUSI-PHIMTYICSA-N 251.330 -0.038 70 20 CBID CCc1nc(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)n[nH]1 160650623 XMBBFRGSNSMFSS-VIFPVBQESA-N 287.389 -0.167 70 20 CBID COC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 216826509 FHKXXGHDCDPNDB-BDAKNGLRSA-N 254.286 -0.181 70 20 CBID Cc1oc(C(=O)NCCO)cc1S(=O)(=O)N(C)C 159379309 LINURUWEUFZYMW-UHFFFAOYSA-N 276.314 -0.440 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 160294052 RTAADRDEHDTGED-HBNTYKKESA-N 290.385 -0.143 70 20 CBID COC(=O)c1ccc(=O)n(CCS(=O)(=O)F)c1 883953480 WZWXWORATNCUIN-UHFFFAOYSA-N 263.246 -0.066 70 20 CBID CN1CC[C@@H](NS(=O)(=O)C[C@@H]2CCCO2)C1=O 160469684 LIUFLQCFFFKYRP-DTWKUNHWSA-N 262.331 -0.685 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CNC(=O)c1cccs1 217691697 KJGFMGVLALCWAS-ZETCQYMHSA-N 286.309 -0.872 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cccc(OC)c1OC 217695220 CNGOJZAFLZVQER-SECBINFHSA-N 283.280 -0.033 70 20 CBID CN1N=C(C(=O)NC[C@@H](O)CN2CCCCC2)CCC1=O 160248842 DMDRQVVMDIPARI-LLVKDONJSA-N 296.371 -0.442 70 20 CBID O=C(NCCNC[C@@H](O)COC[C@H]1CCCO1)C1CC1 160742452 PWZGCSXMLLJLSS-CHWSQXEVSA-N 286.372 -0.341 70 20 CBID CN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346928882 IUBNKEFWCCRLIT-UHFFFAOYSA-N 277.277 -0.509 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1ccc(OC)c(OC)c1 217682413 YZICFHDRJRHKKC-SNVBAGLBSA-N 297.307 -0.104 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCc2nn[nH]c2C1 1345748208 NCIJYUXWWFBZEM-UHFFFAOYSA-N 299.287 -0.011 70 20 CBID COC(=O)[C@@H](C)N1CCN(c2ncccc2C(N)=O)CC1 159818340 FKTAIZLEKPZZLL-SNVBAGLBSA-N 292.339 -0.136 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]2N1 160232439 ZWYKMTZWIKJDFG-NEPJUHHUSA-N 280.372 -0.981 70 20 CBID C[S@@](=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527565559 LRQRFXBXKRZWTD-MRXNPFEDSA-N 282.318 -0.219 70 20 CBID CN1CC[C@@H](NC(=O)c2ccc3nnn(C)c3c2)C1=O 159648951 GRPVYUWMGLRWCJ-SNVBAGLBSA-N 273.296 -0.071 70 20 CBID CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 159396673 QVQFSSMPEJGFIV-UTLUCORTSA-N 277.390 -0.490 70 20 CBID CC(=O)N1CCN(C(=O)[C@@H](C)N(C)C[C@H](O)C2CC2)CC1 160789241 KYEXCUKBNIVIDK-RISCZKNCSA-N 297.399 -0.232 70 20 CBID COCCN(CCOC)C(=O)c1ccc(=O)[nH]n1 217616715 OXZGUINXUUHKLX-UHFFFAOYSA-N 255.274 -0.495 70 20 CBID COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCCCC1 159958064 CEGBDEQHUGINSF-QJPTWQEYSA-N 284.356 -0.242 70 20 CBID CS[C@@H](C)CC(=O)NCCN1CCS(=O)(=O)CC1 161084916 SIIUIWZYAAWBMW-JTQLQIEISA-N 294.442 -0.025 70 20 CBID COC(=O)CNC(=O)[C@H](C)N(C)C[C@H](O)C1CC1 160879287 ZRVCURQSISFRFB-WPRPVWTQSA-N 258.318 -0.633 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(N(C)C)nc1 217727945 JZKRNBWALALZFG-VIFPVBQESA-N 267.285 -0.589 70 20 CBID CCN(C)CCNC(=O)NCCN1C(=O)CCC1=O 217190056 YCLWQQOEYFRXKW-UHFFFAOYSA-N 270.333 -0.614 70 20 CBID COC(=O)[C@H](C)NC(=O)c1cc(C)nc2c1c(=O)[nH]n2C 159580707 ZOEXRJPHYUZFKM-ZETCQYMHSA-N 292.295 -0.139 70 20 CBID CO[C@H](C)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 160644644 RJKPTNLYHJXVPZ-SFYZADRCSA-N 250.320 -0.699 70 20 CBID NC1(C(=O)NCCN2C(=O)CNC2=O)CCCCC1 160067836 WXORECQMQSVQEL-UHFFFAOYSA-N 268.317 -0.684 70 20 CBID NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 160713356 BZBXQXBHEGKVTF-NEPJUHHUSA-N 296.371 -0.634 70 20 CBID CCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@@H]1CN 161205795 LOXFWDBIACHBQR-NXEZZACHSA-N 272.349 -0.730 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](CO)[C@@H](O)C1 1346795391 DRFQANVZSWZQRQ-RCOVLWMOSA-N 292.288 -0.902 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)c1ccc(=O)n(C)n1 160036194 VWLVHBVMTSJMPV-QMMMGPOBSA-N 267.285 -0.148 70 20 CBID O=S(=O)(NC[C@@H](O)COCC1CC1)c1c[nH]cn1 160711579 FGHQYEGQPODITH-SECBINFHSA-N 275.330 -0.525 70 20 CBID CN(Cc1cccn1C)C(=O)CN1CCS(=O)(=O)CC1 160790651 PQJUDVOIIYMVAI-UHFFFAOYSA-N 299.396 -0.286 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cc(OC)ccc1OC 217677884 SBGFVFWXURNRPS-SNVBAGLBSA-N 283.280 -0.033 70 20 CBID COCCNCC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C 159751121 AQISGKZVQQNOFE-VHSXEESVSA-N 278.374 -0.744 70 20 CBID CC(=O)N1CC(NC(=O)c2cnc3c(c2)ncn3C)C1 159896095 RFKXYMGOMMDECA-UHFFFAOYSA-N 273.296 -0.071 70 20 CBID CC(C)(N)CNC(=O)C(C)(C)NS(C)(=O)=O 160073796 PUBZPDNWZVAVGS-UHFFFAOYSA-N 251.352 -0.832 70 20 CBID CN(CCN1C(=O)CNC1=O)C[C@H]1CCC[C@@H]1O 159788226 DBSYBHSODFPTCU-ZJUUUORDSA-N 255.318 -0.369 70 20 CBID COCCOCC(=O)N1CCN(C[C@H]2CCCO2)CC1 218079389 PLEJVMVMUBRUPL-CYBMUJFWSA-N 286.372 -0.027 70 20 CBID COC[C@@H](CCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346642409 SIISOWDUAKZNDD-SSDOTTSWSA-N 294.304 -0.200 70 20 CBID CN1CCO[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 160028593 AHFSMKIDXLNBLS-JTQLQIEISA-N 290.385 -0.647 70 20 CBID CCOCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160724833 MNPPITIGYFQFOK-MNOVXSKESA-N 290.385 -0.047 70 20 CBID CCN(CC)S(=O)(=O)NC[C@@H](O)COCC1CC1 160692207 KUDKYTVWCZIELA-LLVKDONJSA-N 280.390 -0.050 70 20 CBID O=C1CC[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2N1 160620826 UVAKAKPKLGBZTA-QWRGUYRKSA-N 279.340 -0.264 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)CCO2 217693069 REINDTOFUPZFJG-JTQLQIEISA-N 265.265 -0.115 70 20 CBID CS(=O)(=O)N1CCC[C@@H](S(=O)(=O)Cl)C1 307462702 GHLDMYUQRGKUDG-ZCFIWIBFSA-N 261.752 -0.021 70 20 CBID O=S(=O)(F)c1ncnc2c1ncn2CCCO 675066020 FLQWNPPALHLBRZ-UHFFFAOYSA-N 260.250 -0.133 70 20 CBID CC(=O)N1CC[C@@H](NC(=O)COC[C@@H]2CCCO2)C1 159544974 XWRMDQWTZYFIIO-NEPJUHHUSA-N 270.329 -0.081 70 20 CBID CN[C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 160785457 HGIONTQJRBOGTG-SNVBAGLBSA-N 275.312 -0.684 70 20 CBID CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCN2CCCC[C@@H]12 217485939 WAQJXYMAYJBAAE-OBJOEFQTSA-N 296.415 -0.171 70 20 CBID CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1346796977 RZCQTFYUFHFSNV-ZCFIWIBFSA-N 277.277 -0.333 70 20 CBID O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NC1CC1 1520703352 SQRDMZXOKVDFJA-UHFFFAOYSA-N 289.288 -0.319 70 20 CBID NC1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 159498180 SXDUIYZFVKRGSA-UHFFFAOYSA-N 268.317 -0.684 70 20 CBID CC(C)C[C@@H](CO)NC(=O)[C@@H](C)NS(C)(=O)=O 161031415 LRPHORUVIOKFHT-BDAKNGLRSA-N 266.363 -0.553 70 20 CBID CNC(=O)[C@H](C)NC(=O)c1cnc2c(c1)ncn2C 160188067 DJZWRVMPPWXMLO-ZETCQYMHSA-N 261.285 -0.167 70 20 CBID NC(=O)[C@@H]1CC[C@H](CNC(=O)NCCc2ccccn2)O1 160243928 CAVSOVDNCXHFPK-NEPJUHHUSA-N 292.339 -0.044 70 20 CBID CN(CC(=O)N(C)CC(F)(F)F)CC(C)(CO)CO 159555037 OWWSMVBJWUPQBX-UHFFFAOYSA-N 286.294 -0.070 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1cn2ccccc2n1 217722327 GYNWDPZBOVXWSL-SNVBAGLBSA-N 277.280 -0.473 70 20 CBID O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H](O)CN1 217906359 AGFOJPXEEAEOKS-GRYCIOLGSA-N 291.355 -0.716 70 20 CBID CN(CCN1C(=O)NC(C)(C)C1=O)[C@H](CN)C1CC1 160015010 UHMVMAZCEDLBJA-SNVBAGLBSA-N 268.361 -0.014 70 20 CBID CC1(C)CNC(=O)N(CCS(=O)(=O)F)C1=O 883953825 MERSYBUFMVYIMN-UHFFFAOYSA-N 252.267 -0.136 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc2c(c1)OCC(=O)N2 217704531 BSULZQSXKYWALZ-SECBINFHSA-N 294.263 -0.719 70 20 CBID CC(=O)N1CCN(C(=O)CN2CCC(C)(O)CC2)CC1 161223021 AANAJWWTGPTIDV-UHFFFAOYSA-N 283.372 -0.476 70 20 CBID O=c1[nH]c2ccccc2c(=O)n1CC1(CO)COC1 160367247 DMJQZXCVYHAMLO-UHFFFAOYSA-N 262.265 -0.301 70 20 CBID COCCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160721157 YFJCEBKRKLXKHQ-GHMZBOCLSA-N 290.385 -0.047 70 20 CBID O=C(NCCO)[C@@H]1COCC(=O)N1Cc1ccccc1 159423901 DNXKNJHXDRTLLH-LBPRGKRZSA-N 278.308 -0.478 70 20 CBID NC(=O)C1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1336950030 WOFDQDKZWNZGFK-UHFFFAOYSA-N 275.261 -0.579 70 20 CBID N[C@H](Cc1ccccc1)C(=O)NCCN1C(=O)CCC1=O 160041238 LRMKTHGLZYBAIJ-GFCCVEGCSA-N 289.335 -0.178 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc(NC(C)=O)cc1 217695420 LIZMGOKMNXHABW-LLVKDONJSA-N 280.280 -0.091 70 20 CBID O=C(NC[C@@H](O)CN1CCCCC1)c1cc[nH]n1 160305308 LOHPCJIYXCYARS-SNVBAGLBSA-N 252.318 -0.014 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CCCC3=O)CC[C@@H]2N1 160620566 UVAKAKPKLGBZTA-MNOVXSKESA-N 279.340 -0.264 70 20 CBID COC[C@H](N)C(=O)NC[C@H](CC(C)C)N1CCOCC1 159411712 DBEFPBZKARIGOL-STQMWFEESA-N 287.404 -0.177 70 20 CBID CCN1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 159486798 JUANKBJJKPCKBB-ZDUSSCGKSA-N 283.372 -0.166 70 20 CBID CC(C)(C)C(=O)Cn1cc(C(=O)NCCCN)nn1 160130532 VUBHOOUGRJXXJM-UHFFFAOYSA-N 267.333 -0.028 70 20 CBID O=C1CC[C@@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)N1 160610393 DTADBEALSOTBFW-UTLUCORTSA-N 265.313 -0.608 70 20 CBID CCn1cc(CN2CCNC(=O)[C@@H]2CC(=O)OC)cn1 159796620 ZXSLVEGLXQUOBT-NSHDSACASA-N 280.328 -0.234 70 20 CBID C[C@@H](C(=O)NC[C@@H](O)CN1CCCCC1)N(C)C 160652351 RFHZMMHGQCXVHU-NWDGAFQWSA-N 257.378 -0.101 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cnc2onc(C)c2c1 217739016 RRVYMVNHXLAMKJ-SECBINFHSA-N 279.252 -0.205 70 20 CBID CCC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)COC 159467609 XDJZJVMATVOYMQ-MNOVXSKESA-N 272.345 -0.099 70 20 CBID O=C(CO)N1CCN(c2cc(=O)n3ccccc3n2)CC1 160962377 LGFDAIZBJNJOLJ-UHFFFAOYSA-N 288.307 -0.665 70 20 CBID C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348405721 NFGLKHLDFMEAPL-ZETCQYMHSA-N 274.273 -0.213 70 20 CBID N[C@@H]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 160879967 NNHPKFKUTZYFIV-GHMZBOCLSA-N 289.339 -0.118 70 20 CBID O=C1NC[C@H]2CN(CCCN3CCCCC3)CCN2C1=O 161416308 KMAMSIQFSGYLAC-ZDUSSCGKSA-N 294.399 -0.495 70 20 CBID CO[C@@]1(CNS(=O)(=O)C[C@@H]2CCCCN2)CCOC1 160675184 SCZOAVOHOTZGGL-NWDGAFQWSA-N 292.401 -0.147 70 20 CBID CC(C)C[C@@H](CO)NC(=O)[C@H](C)NS(C)(=O)=O 161031654 LRPHORUVIOKFHT-IUCAKERBSA-N 266.363 -0.553 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](O)C[C@H]1CO 1521205468 FNEVSNLSNAGPAT-BQBZGAKWSA-N 292.288 -0.759 70 20 CBID O=C(N[C@@H]1CCOC1)N1CCN2C(=O)NC[C@H]2C1 159464766 VVAIBRBYWZDTOW-BDAKNGLRSA-N 254.290 -0.806 70 20 CBID C[C@@H](CCO)NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 160302631 PWJSWUCVWMBTJA-ONGXEEELSA-N 295.343 -0.405 70 20 CBID CCCC(=O)N1CSC[C@@H]1C(=O)N1CC(O)C1 161417097 JTYOHDIZJGBYEV-SECBINFHSA-N 258.343 -0.109 70 20 CBID COC[C@@H](N)C(=O)NC[C@H](CC(C)C)N1CCOCC1 159411423 DBEFPBZKARIGOL-QWHCGFSZSA-N 287.404 -0.177 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1CC1=CCCOC1 159831867 YZHODLDFXSQTIW-NSHDSACASA-N 268.313 -0.303 70 20 CBID COCCOCC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160624575 FKQUMIJAOZGPRN-MNOVXSKESA-N 270.329 -0.224 70 20 CBID COC(=O)[C@@H]1CS(=O)(=O)CCN1Cc1cnn(C)c1 161425325 DTRDVPKSTQISOP-JTQLQIEISA-N 287.341 -0.808 70 20 CBID Cc1nc(-c2nn[nH]n2)n(CCS(=O)(=O)F)c1C 1606020759 BGZFCVCYCCLXHI-UHFFFAOYSA-N 274.281 -0.021 70 20 CBID CC(C)[C@H](CCO)NC(=O)C(C)(C)NS(C)(=O)=O 160510238 KMGVFFUXODWYHY-VIFPVBQESA-N 280.390 -0.163 70 20 CBID COC[C@@H](O)CNS(=O)(=O)c1c(C)nn(C)c1Cl 160912124 FTJATJYXNNCQKA-ZETCQYMHSA-N 297.764 -0.332 70 20 CBID CC(C)N1C[C@H](NC(=O)N2CCC(C(N)=O)CC2)CC1=O 217288973 JSUMVGICPURHCK-LLVKDONJSA-N 296.371 -0.097 70 20 CBID CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1354897877 HVEQXAAXUVEORV-ZETCQYMHSA-N 289.288 -0.367 70 20 CBID CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H](NC)C1 160807644 DAPPNEXFFDBPEZ-SNVBAGLBSA-N 277.390 -0.522 70 20 CBID COCCNCC(=O)N[C@H]1CCCC[C@H]1C(N)=O 160872804 ZDODXKXRTLUFPH-ZJUUUORDSA-N 257.334 -0.617 70 20 CBID CN1CCC(N(C)C(=O)c2ccc(=O)[nH]n2)CC1 217592393 KDISMCTZKGYAEJ-UHFFFAOYSA-N 250.302 -0.064 70 20 CBID CN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O 160496106 JSVFBSFYVGURPI-GARJFASQSA-N 251.330 -0.182 70 20 CBID Cn1cnc(-c2ccc(NC(=O)NC[C@H](O)CO)cc2)n1 160561999 CHJPWEXNXOJPBS-NSHDSACASA-N 291.311 -0.043 70 20 CBID O=C(CO)N1CCN(CCCN2CCCCC2)CC1 161458335 LYIUCHOHWSNOPL-UHFFFAOYSA-N 269.389 -0.001 70 20 CBID CC(C)C1(O)CN(C(=O)CN2CCC(=O)NC2=O)C1 216966478 NPGGLJHHMQKVBC-UHFFFAOYSA-N 269.301 -0.842 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)NCC1(CO)CCCC1 160322416 JAPAYIMTELSWGJ-UHFFFAOYSA-N 281.312 -0.795 70 20 CBID CCN1CCN(CC(=O)N2CCC[C@H]2CN)CC1 160322786 IUMKXZYZUGUEPM-LBPRGKRZSA-N 254.378 -0.426 70 20 CBID CCC(=O)N1CC[C@H](C(=O)N2CCCN(C(N)=O)CC2)C1 161417576 COGJXOVZQXKIMV-NSHDSACASA-N 296.371 -0.142 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1cc[nH]n1 159841141 FVZKSWYUIKRADD-VIFPVBQESA-N 252.274 -0.727 70 20 CBID C[C@@H]1CC[C@@H](C(=O)NCCCc2nc(=O)[nH][nH]2)O1 159842939 XFGWGKYHXGAKFJ-SFYZADRCSA-N 254.290 -0.286 70 20 CBID CC(C)C[C@H](CO)NC(=O)CN1CCS(=O)(=O)CC1 160694398 WQZUMLQWXKIZRD-LLVKDONJSA-N 292.401 -0.760 70 20 CBID NCCc1nc(C(=O)NCCNC(=O)C2CC2)cs1 160755542 KNGVEGYSJRMZIK-UHFFFAOYSA-N 282.369 -0.100 70 20 CBID CNC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1 864238906 VOXVFISCLXLWJA-UHFFFAOYSA-N 274.273 -0.179 70 20 CBID O=C(NCC1CCN(CCO)CC1)[C@@H]1CCOC1 160635779 VRMJQASHKIFNRF-GFCCVEGCSA-N 256.346 -0.157 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 160715888 LCGIUASDERNPGE-IUCAKERBSA-N 256.302 -0.030 70 20 CBID O=[N+]([O-])c1cc([N+](=O)[O-])n(CCS(=O)(=O)F)n1 883953818 LXPMYGKZBMOFPV-UHFFFAOYSA-N 268.182 -0.001 70 20 CBID COC(=O)CCc1nnn(CCS(=O)(=O)F)n1 883953920 QJLCUOCPYRKVPC-UHFFFAOYSA-N 266.254 -0.922 70 20 CBID CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)NC 1337361506 SUKPQOCFFKIGAB-ZETCQYMHSA-N 291.304 -0.073 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CNC(=O)c1ccccc1 217713441 DBJDJYRXBHMDLE-JTQLQIEISA-N 280.280 -0.934 70 20 CBID C[C@H](CO)CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 160513115 HDRNPDYABQSTPU-VIFPVBQESA-N 291.307 -0.566 70 20 CBID CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160576682 ZLEQRQKTBRSBNB-SCVCMEIPSA-N 296.371 -0.194 70 20 CBID CCCn1cc(S(=O)(=O)Cl)c(=O)[nH]c1=O 112463257 HOTYVQTYURSAHO-UHFFFAOYSA-N 252.679 -0.126 70 20 CBID CN(Cc1nc(N)nc(N)n1)C[C@@H]1CCC[C@@H]1O 159622206 IPHVPCYCHYYVOR-YUMQZZPRSA-N 252.322 -0.371 70 20 CBID CO[C@@]1(CNS(=O)(=O)C[C@H]2CCCCN2)CCOC1 160675416 SCZOAVOHOTZGGL-VXGBXAGGSA-N 292.401 -0.147 70 20 CBID COC[C@@H](N)C(=O)N1CCN(C(=O)c2ccccc2)CC1 159434741 LLIBLFYUMUKPOW-CYBMUJFWSA-N 291.351 -0.055 70 20 CBID Cc1ccoc1C(=O)NCCCNS(N)(=O)=O 160266698 OJKZLIUKXPJWEI-UHFFFAOYSA-N 261.303 -0.499 70 20 CBID CN(C)C(=O)N1CCN(Cc2nncn2C)CC1 160781195 LIDLNNHPYHUJBV-UHFFFAOYSA-N 252.322 -0.386 70 20 CBID COCCOCCCCNS(=O)(=O)N1CCNCC1 159387408 AHQBUDWTXOYSPX-UHFFFAOYSA-N 295.405 -0.831 70 20 CBID N[C@H]1CCC[C@@H](NC(=O)CN2CSCC2=O)C1 161355687 BWYMVAFHYKPGGR-DTWKUNHWSA-N 257.359 -0.095 70 20 CBID C[C@@H](CNS(=O)(=O)N(C)C)CN1CCOCC1 160392896 IYXWQWFILXBYRO-JTQLQIEISA-N 265.379 -0.649 70 20 CBID CCS(=O)(=O)NCC(=O)N[C@@H](CO)CC(C)C 161019935 RDKBDDLVMXENQP-SECBINFHSA-N 266.363 -0.551 70 20 CBID CON(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347307346 ZVAREBYDBSWALY-UHFFFAOYSA-N 279.293 -0.104 70 20 CBID Cn1cc(N2CCN(C(=O)[C@H]3CCNC3)CC2=O)cn1 159389239 KQQBHPVYNIPFQC-JTQLQIEISA-N 277.328 -0.795 70 20 CBID O=C(NC/C=C/CO)c1cc(S(=O)(=O)F)c[nH]1 1348817501 NBENROXMLHQYOW-OWOJBTEDSA-N 262.262 -0.049 70 20 CBID CCNCC1CCN(C(=O)[C@@H]2CNCCO2)CC1 161124032 FFPWNPARJGVLGZ-LBPRGKRZSA-N 255.362 -0.177 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cnc2c(c1)c(C)nn2C 217738481 JDSBWTAHGMBEHZ-JTQLQIEISA-N 292.295 -0.460 70 20 CBID COC(=O)CNC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O 159578495 BHNSPBWQDAZZTB-DCAQKATOSA-N 272.345 -0.243 70 20 CBID C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](N)C2)C1=O 160200001 MRCXMXDSIOAEAR-RNCFNFMXSA-N 280.328 -0.734 70 20 CBID CNC(=O)C(C)(C)CNc1ccc(C(N)=O)nn1 161092788 MXWRYPPZFUSSBP-UHFFFAOYSA-N 251.290 -0.240 70 20 CBID C[C@H]1CN(C(=O)CN2CCO[C@H](CN)C2)C[C@@H](C)O1 160030132 CNUYOUMOXDFEFP-GRYCIOLGSA-N 271.361 -0.718 70 20 CBID CO[C@@]1(CNCC(=O)N2CCN(C)CC2)CCOC1 160274003 CZPNCXADQVDEFZ-CYBMUJFWSA-N 271.361 -0.845 70 20 CBID CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 160640688 KEKXLJMALRGTSN-NEPJUHHUSA-N 282.388 -0.783 70 20 CBID C[C@H](N)[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 218648056 RZRNUERFJNWSGR-CMPLNLGQSA-N 255.362 -0.097 70 20 CBID CCOC(=O)CN(C)CC(=O)N(C)Cc1cnn(C)c1 159534762 NBVSCEZTGIHOAX-UHFFFAOYSA-N 282.344 -0.127 70 20 CBID CC(=O)NCCNC(=O)CCCNC(=O)c1cccnc1 160991206 UKSPOEUJUKZHOX-UHFFFAOYSA-N 292.339 -0.156 70 20 CBID NC1(C(=O)NCCCN2C(=O)CNC2=O)CCCCC1 159390803 HFNMLSMMFMIJPF-UHFFFAOYSA-N 282.344 -0.294 70 20 CBID O=C1CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@H]2N1 160643250 KVXMLVFYHIBSKA-VHSXEESVSA-N 263.301 -0.595 70 20 CBID O=C1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CO1 1347339733 GNPQJWZTAWWBJG-YFKPBYRVSA-N 276.245 -0.282 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cn2ccccc2n1 217737175 WUOUEFHUIAZUOS-SECBINFHSA-N 263.253 -0.402 70 20 CBID NC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1521707799 DWDMJPJPXAXACT-QMMMGPOBSA-N 289.288 -0.237 70 20 CBID CS[C@H](C)CC(=O)NCCN1CCS(=O)(=O)CC1 161085049 SIIUIWZYAAWBMW-SNVBAGLBSA-N 294.442 -0.025 70 20 CBID CC(=O)c1cn(Cc2ccnn2C)c(=O)n(C)c1=O 161394097 LKZOZCGTFTXPOX-UHFFFAOYSA-N 262.269 -0.469 70 20 CBID CC(C)N1C[C@H](NC(=O)N2CCNCC2)CC1=O 217287843 ODHNFDNQGLPNMM-SNVBAGLBSA-N 254.334 -0.390 70 20 CBID O=C(NCCn1ncnn1)c1cc(S(=O)(=O)F)c[nH]1 1351578391 MIKCGFMRIFFDMO-UHFFFAOYSA-N 288.264 -0.911 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 160405171 WAQAJHIDLYMEMG-DTWKUNHWSA-N 256.302 -0.077 70 20 CBID COCCOCC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 160624710 FKQUMIJAOZGPRN-WDEREUQCSA-N 270.329 -0.224 70 20 CBID CO[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2C)[C@@H](CN)C1 161153638 MWVBANDNJRGZRX-NXEZZACHSA-N 288.373 -0.155 70 20 CBID C[C@@H](CN1CCCCC1)NC(=O)[C@H]1C[C@@H](O)CN1 217707664 GKSVFZVTUAHXEK-QJPTWQEYSA-N 255.362 -0.300 70 20 CBID C[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123567942 MZXNJSUFIZRZLF-RXMQYKEDSA-N 250.251 -0.217 70 20 CBID CCc1nc(CN2CCN(C(=O)[C@@H](C)O)CC2)n[nH]1 160183682 BFWAMTSFWMNACN-SECBINFHSA-N 267.333 -0.608 70 20 CBID C[C@@H](N)[C@@H]1CN(C(=O)C2CCN(C)CC2)CCO1 218647976 RZRNUERFJNWSGR-PWSUYJOCSA-N 255.362 -0.097 70 20 CBID CCOC(=O)[C@@H](N)C(=O)NC1CCN(C(C)C)CC1 159556280 VSEORKDYVAUOOW-NSHDSACASA-N 271.361 -0.134 70 20 CBID C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC=CC1 160835070 FNUDQDAIKBRNGC-SECBINFHSA-N 298.368 -0.078 70 20 CBID O=c1[nH]c2ccc(S(=O)(=O)N3CC[C@@H](O)C3)cc2[nH]1 161150974 RHUIPIIUICQOOI-SSDOTTSWSA-N 283.309 -0.389 70 20 CBID CN1CC[C@@H](NC2=NS(=O)(=O)c3ccccc32)C1=O 217504925 WBNLIOLOFKXOAW-SECBINFHSA-N 279.321 -0.044 70 20 CBID O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCO 159481404 FHHYTUCODGEKOD-UHFFFAOYSA-N 298.773 -0.212 70 20 CBID CC[C@@H](COC)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 160327759 YBKQZQKUUBFJPZ-QMMMGPOBSA-N 289.357 -0.173 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 217692455 ZQBXUDUOYBXCMU-ONGXEEELSA-N 298.339 -0.572 70 20 CBID CC(CO)(CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1349235961 YTQDGGPPNWFKCP-UHFFFAOYSA-N 280.277 -0.854 70 20 CBID CN(C)S(=O)(=O)c1cnn(CCS(=O)(=O)F)c1 883953939 RIOJEVSYGBUYGQ-UHFFFAOYSA-N 285.322 -0.567 70 20 CBID CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 160640938 KEKXLJMALRGTSN-RYUDHWBXSA-N 282.388 -0.783 70 20 CBID O=C(NCCCN1C(=O)CNC1=O)[C@@H]1CCCCN1 159387549 LYUQPLOZDUHPQX-VIFPVBQESA-N 268.317 -0.813 70 20 CBID CN(CC(C)(C)CN1CCOCC1)S(N)(=O)=O 159470422 MHSNPIMBPCWZIJ-UHFFFAOYSA-N 265.379 -0.520 70 20 CBID CC(C)(C)S(=O)(=O)CC(=O)N1CCN(CCO)CC1 159820655 LJKXMDUAAYIXJE-UHFFFAOYSA-N 292.401 -0.664 70 20 CBID CCC[C@@H](N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161141552 KUIKKKDBYCIBJM-MNOVXSKESA-N 279.344 -0.231 70 20 CBID NCCCNC(=O)CNC(=O)OCC(F)(F)F 160133702 VMDXASYXIKGUJW-UHFFFAOYSA-N 257.212 -0.260 70 20 CBID O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H]1C[C@H](O)CN1 217810596 IKENJHYZPILXDX-QCNOEVLYSA-N 253.346 -0.548 70 20 CBID C[C@@H](CNC(=O)[C@H]1C[C@@H](O)CN1)CN1CCCC1 217951239 QHQUOAUCUVXRAR-QJPTWQEYSA-N 255.362 -0.443 70 20 CBID CCn1nccc1CN1CCNC(=O)[C@H]1CC(=O)OC 159812333 IBKMDTXXPYHFQO-LLVKDONJSA-N 280.328 -0.234 70 20 CBID CN(CC(=O)N1CCNC1=O)C[C@@H]1CCC[C@@H]1O 159754935 RFZHGLDBYHEACD-UWVGGRQHSA-N 255.318 -0.369 70 20 CBID O=C(Cc1cccc(F)c1)NCC(=O)N1CC(O)C1 161421177 YEHGQXGXKPKOHL-UHFFFAOYSA-N 266.272 -0.313 70 20 CBID C[C@@]1(CCC(=O)O)NC(=O)N(CCS(=O)(=O)F)C1=O 1604570399 CSNVVSLTLDGAOB-VIFPVBQESA-N 296.276 -0.539 70 20 CBID CN1CCN(c2ncc(CN3CCNC(=O)C3)cn2)CC1 160503114 BEVDFGDYKYNKEL-UHFFFAOYSA-N 290.371 -0.840 70 20 CBID C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccn(C)n2)CC1 160755058 IZAHQDHDGQHQNA-VIFPVBQESA-N 281.316 -0.523 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)CO)o1 160513910 MFVGPXAOBLPOSD-ZETCQYMHSA-N 276.314 -0.454 70 20 CBID CC(C)(CNC(=O)CS(=O)(=O)C(C)(C)C)C(N)=O 160846654 ZQMPGRBWXIKMPB-UHFFFAOYSA-N 278.374 -0.173 70 20 CBID Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1ccnn1C 159641502 TZLNTPYNTVYAAX-UHFFFAOYSA-N 297.340 -0.111 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1cn2ccsc2n1 217682978 WUDFKURPUNYORO-QMMMGPOBSA-N 283.309 -0.412 70 20 CBID O=C(O)COCC(=O)Nc1ncc(S(=O)(=O)F)s1 1595111204 USGVWIIEJWSQSV-UHFFFAOYSA-N 298.273 -0.159 70 20 CBID Cc1cc(OCC(=O)N2CCC[C@H](C(N)=O)C2)nn1C 159823634 BHJOWCBPFZWPPN-JTQLQIEISA-N 280.328 -0.169 70 20 CBID COC(=O)CNC(=O)[C@@H](C)N(C)C[C@H](O)C1CC1 160879417 ZRVCURQSISFRFB-SCZZXKLOSA-N 258.318 -0.633 70 20 CBID C[C@H]1[C@@H](C)N(C(=O)[C@@H]2CSCN2)CCS1(=O)=O 161217850 RUSADXIXVPXISA-VGMNWLOBSA-N 278.399 -0.317 70 20 CBID CN1CCNC[C@@H]1CNS(=O)(=O)c1ccccc1 217236878 JUEUGFIPMSSNSV-LLVKDONJSA-N 269.370 -0.132 70 20 CBID O=S(=O)(c1cnc[nH]1)N1CCc2ncncc2C1 218077220 PGZFWWZKZNJPCC-UHFFFAOYSA-N 265.298 -0.053 70 20 CBID CNC(=O)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347457248 ADUBKZWUERWEAI-UHFFFAOYSA-N 291.304 -0.071 70 20 CBID C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C[C@@H](C)O 159420584 FDWCUDPFYAIMOO-OUAUKWLOSA-N 292.401 -0.667 70 20 CBID COC(=O)CCNC(=O)CN(C)C[C@H]1CCC[C@@H]1O 159462643 CXYNAEGTKSPKMH-MNOVXSKESA-N 272.345 -0.242 70 20 CBID O=C1CC[C@@H]2CN(C(=O)C[C@@H]3COCCN3)CC[C@H]2N1 160240216 UDWRJUHJVUJXEX-IJLUTSLNSA-N 281.356 -0.508 70 20 CBID CC(C)c1ncc(C(=O)N(CC(N)=O)CC(N)=O)s1 161479413 ZGTMOLVSNQCXQZ-UHFFFAOYSA-N 284.341 -0.321 70 20 CBID O=C1C[C@@H](C(=O)N2CCc3ccc(O)cc3C2)NC(=O)N1 216660879 IFHFLDJPDAGESR-NSHDSACASA-N 289.291 -0.125 70 20 CBID CCn1cc(S(=O)(=O)NCC[C@H](O)COC)nc1C 218093495 NCEOMSCXMOHADF-JTQLQIEISA-N 291.373 -0.113 70 20 CBID CC(C)(C)NC(=O)CNC(=O)CN1CCCC[C@@H]1CO 159927970 WVSDJVKLRNRHKM-LLVKDONJSA-N 285.388 -0.136 70 20 CBID CCN(CC)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O 159973656 WOZAULSSXOYPNV-BDAKNGLRSA-N 270.333 -0.569 70 20 CBID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CNC(=O)C1 160144945 CDQREWLXLUQZMH-LBPRGKRZSA-N 297.399 -0.061 70 20 CBID O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CSCN1 159859643 NBBYUGNOKASJGZ-RQJHMYQMSA-N 297.302 -0.072 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc2c(c1)NC(=O)CO2 217729780 SDGXRQCXACJPHP-SECBINFHSA-N 294.263 -0.719 70 20 CBID CN(C)C(=O)Cn1cc(C(=O)NC2CC=CC2)nn1 160930336 UCAPDAKLYRRGBZ-UHFFFAOYSA-N 263.301 -0.185 70 20 CBID COC[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123726988 GXPYGSVHSOFPRJ-LURJTMIESA-N 280.277 -0.590 70 20 CBID CN(C)C(=O)NCCNC(=O)[C@@]1(C(F)(F)F)CCNC1 160844747 XMOSWDJWWNJAQH-SNVBAGLBSA-N 296.293 -0.084 70 20 CBID Cn1cnc2cc(C(=O)NCCCC(N)=O)cnc21 160118274 WXNRSXSNFBKNES-UHFFFAOYSA-N 261.285 -0.036 70 20 CBID O=C1CC[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CN1 159734231 ZAYIZPHZVZTOQR-MXWKQRLJSA-N 251.330 -0.135 70 20 CBID O=C1CC[C@H]2CN(C(=O)CN3CCNCC3)CC[C@@H]2N1 160232172 ZWYKMTZWIKJDFG-RYUDHWBXSA-N 280.372 -0.981 70 20 CBID O=S(=O)(NC[C@H](O)COCC1CC1)c1c[nH]cn1 160711444 FGHQYEGQPODITH-VIFPVBQESA-N 275.330 -0.525 70 20 CBID O=C1CC[C@@H]2CN(S(=O)(=O)N3CCCC3)CC[C@H]2N1 160724939 PZPVJYBFMCXSHD-GHMZBOCLSA-N 287.385 -0.073 70 20 CBID COCCS(=O)(=O)N1CCC(Cn2ccnn2)CC1 159481302 DKJRGECWUHOLHC-UHFFFAOYSA-N 288.373 -0.034 70 20 CBID CC(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 161088706 WVERLWBQPLMASL-OLZOCXBDSA-N 299.415 -0.080 70 20 CBID CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCC[C@@H]2O)CC1=O 161261158 JTSKLJZGVJJCDT-SRVKXCTJSA-N 283.372 -0.574 70 20 CBID CS(=O)(=O)c1nccn1CCS(=O)(=O)F 883953982 UKBNQIQDFSCXAU-UHFFFAOYSA-N 256.280 -0.414 70 20 CBID COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)N 217052138 SNKIJYNOTQPHAR-IUCAKERBSA-N 273.333 -0.846 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1csc(NC(C)=O)n1 217709663 CQGPZPQHNLWREH-SSDOTTSWSA-N 287.297 -0.635 70 20 CBID C#CCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976039 HJSSRTKTTKOHFZ-UHFFFAOYSA-N 273.289 -0.375 70 20 CBID COC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123726901 FAIUSUTXGFIHGF-UHFFFAOYSA-N 293.276 -0.241 70 20 CBID CNC(=O)CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1337875273 KDHSUEGNQVCFPA-UHFFFAOYSA-N 288.300 -0.251 70 20 CBID O=C(NCCCN1C(=O)CNC1=O)[C@H]1CCCCN1 159387683 LYUQPLOZDUHPQX-SECBINFHSA-N 268.317 -0.813 70 20 CBID CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCCO1 160107647 OYKWQHOBHOPRGB-VIFPVBQESA-N 264.347 -0.389 70 20 CBID C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)C(N)=O 160952443 YJMPCQYSLYKRSK-QMMMGPOBSA-N 259.269 -0.129 70 20 CBID Cn1cc2cnn(CCS(=O)(=O)F)c(=O)c2n1 1331955180 JSMQLZJIYBBDAR-UHFFFAOYSA-N 260.250 -0.571 70 20 CBID Cn1c(=O)nc(O)c2cc(S(=O)(=O)F)cnc21 675065796 QKPHMWQKCDPRJJ-UHFFFAOYSA-N 259.218 -0.308 70 20 CBID CC(C)N1C[C@@H](NC(=O)N2CCC(C(N)=O)CC2)CC1=O 217288975 JSUMVGICPURHCK-NSHDSACASA-N 296.371 -0.097 70 20 CBID CCCN1CCCN(C(=O)CCNC(N)=O)CC1 160401700 JLQXIIMQCVMFRX-UHFFFAOYSA-N 256.350 -0.011 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cc(OC)cc(OC)c1 217711627 ZKAVRIFEZUZQEI-LLVKDONJSA-N 283.280 -0.033 70 20 CBID CN(CCOCCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123727243 JWQCVPJKXVRMJD-UHFFFAOYSA-N 294.304 -0.246 70 20 CBID Cc1cc(C[C@H](C)NC(=O)[C@H]2CNC(=O)C2)n[nH]1 161151647 SQVBSRCMUBUWGV-IONNQARKSA-N 250.302 -0.099 70 20 CBID CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)CN1CCNCC1=O 159549096 VZPVXEKEHRLDHD-WQAKAFBOSA-N 281.356 -0.652 70 20 CBID CC(=O)N1CCOC[C@@H]1C(=O)N1CCN(C(C)C)CC1 159793364 CPNXVSZQJKPSAA-CYBMUJFWSA-N 283.372 -0.214 70 20 CBID Cc1nc(S(=O)(=O)NCC(=O)NC2CC=CC2)cn1C 160987255 NRHKQRMGDPSHMJ-UHFFFAOYSA-N 298.368 -0.158 70 20 CBID Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 161151745 SQVBSRCMUBUWGV-APPZFPTMSA-N 250.302 -0.099 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cccc(OC)c1OC 217695139 CNGOJZAFLZVQER-VIFPVBQESA-N 283.280 -0.033 70 20 CBID CSCC[C@@H]1NC(=O)N(CCS(=O)(=O)F)C1=O 916622755 KNPSNVSHKWPRCF-LURJTMIESA-N 284.334 -0.041 70 20 CBID NC(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346340787 JZSDNSLZWHQYTR-ZCFIWIBFSA-N 289.288 -0.380 70 20 CBID O=C(C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CCNCC1 160864521 FFTYAHUNZDTMLO-IUODEOHRSA-N 295.383 -0.428 70 20 CBID C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H](N)C2)C1=O 160200140 MRCXMXDSIOAEAR-NOZJJQNGSA-N 280.328 -0.734 70 20 CBID COCCNCC(=O)N[C@@H]1CCCC[C@H]1C(N)=O 160872675 ZDODXKXRTLUFPH-NXEZZACHSA-N 257.334 -0.617 70 20 CBID COCCS(=O)(=O)NC[C@@H](C)CN1CCOCC1 160394653 HDFJJUGFRKNMDF-LLVKDONJSA-N 280.390 -0.480 70 20 CBID COC(=O)[C@@H](O)CNC(=O)COc1ccccc1F 217711360 ZTMGNQLYGRYACQ-VIFPVBQESA-N 271.244 -0.145 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H](N)C1 161441679 XNDJABAJQKISKY-IUCAKERBSA-N 277.390 -0.300 70 20 CBID CNC(=O)CCCN(C)S(=O)(=O)CCOC 159428712 YSHJEVGYLVWQQQ-UHFFFAOYSA-N 252.336 -0.579 70 20 CBID C[C@@H](C(=O)NC1CC1)N1CCN(Cc2nncn2C)CC1 160735396 CWKHAOSFCMANEU-NSHDSACASA-N 292.387 -0.400 70 20 CBID COC[C@@H](O)CNC(=O)c1cccc(-n2cnnn2)c1 159542646 VNZJAHJXQLENKZ-NSHDSACASA-N 277.284 -0.601 70 20 CBID CCN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755639661 VWHZJQXLJUDVIF-SSDOTTSWSA-N 293.320 -0.627 70 20 CBID CC(C)[C@@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 159672812 KHTDWUBYPXDFTO-LLVKDONJSA-N 291.417 -0.195 70 20 CBID CCCNC(=O)CN(C)C(=O)CN(C)[C@@H](CN)C1CC1 160147949 SZPQBEZGOULFJO-LBPRGKRZSA-N 284.404 -0.360 70 20 CBID COC[C@H](O)CCNC(=O)CNC(=O)Cc1ccccc1 160882885 WMYZQQRKJRAOQH-CYBMUJFWSA-N 294.351 -0.141 70 20 CBID O=C(CN1CCS(=O)(=O)CC1)NC1CC=CC1 160891762 JLVCNXUUOCDUKD-UHFFFAOYSA-N 258.343 -0.448 70 20 CBID O=C(CN1CCN(c2ccncc2)CC1)N1CCNC1=O 161347034 LKOVDURILFUMTL-UHFFFAOYSA-N 289.339 -0.245 70 20 CBID O=C1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)CC[C@@H]2N1 160677994 KIAZQHSFYBTJSK-VWYCJHECSA-N 268.313 -0.471 70 20 CBID CCCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160823836 APWMXJILGQRCRA-UHFFFAOYSA-N 293.433 -0.039 70 20 CBID CS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1120786613 OQNSIJYNBLLBOP-UHFFFAOYSA-N 298.317 -0.553 70 20 CBID CC1(O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1347339354 CXWUEKNHWBWKEL-UHFFFAOYSA-N 262.262 -0.120 70 20 CBID COC[C@H](O)CNC(=O)Cn1c(=O)cnc2ccccc21 159503323 FXZNZYFTFMZRIY-SNVBAGLBSA-N 291.307 -0.480 70 20 CBID CCNC(=O)CN(CC)CC(=O)N1CCN(C)CC1 160121784 MFQBBQIKDIMMBI-UHFFFAOYSA-N 270.377 -0.782 70 20 CBID CCN1CCN(CC(=O)NCC(N)(CC)CC)C(=O)C1=O 160513587 UBBWOEMMAHJPBG-UHFFFAOYSA-N 298.387 -0.689 70 20 CBID COCCN(CCN(C)C)C(=O)C(=O)Nc1nocc1C 161076698 ULGUFUMWXPBHTL-UHFFFAOYSA-N 298.343 -0.042 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)C[C@H]3CCCN3)C2=O)cn1 159614024 OUUADRAHRJDNQQ-PWSUYJOCSA-N 291.355 -0.216 70 20 CBID O=C(NC/C=C\CO)c1cc(S(=O)(=O)F)c[nH]1 1348817503 NBENROXMLHQYOW-UPHRSURJSA-N 262.262 -0.049 70 20 CBID COC[C@H](O)CNC(=O)CCNC(=O)Cc1ccccc1 159476986 PVKCGDIQLJBMBF-CYBMUJFWSA-N 294.351 -0.141 70 20 CBID CC[C@H](COC)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 160327887 YBKQZQKUUBFJPZ-MRVPVSSYSA-N 289.357 -0.173 70 20 CBID CNS(=O)(=O)CCCSCCN1CCOCC1 160032497 DKSMJKVVPJPICU-UHFFFAOYSA-N 282.431 -0.009 70 20 CBID C[C@H](O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217052347 HDFLOFIZVCCJGR-XQQFMLRXSA-N 269.389 -0.053 70 20 CBID CCN1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 159486916 JUANKBJJKPCKBB-CYBMUJFWSA-N 283.372 -0.166 70 20 CBID COC[C@@H](O)CNS(=O)(=O)c1cnn(C(C)C)c1 160908300 UHKYFROSMFBMPM-VIFPVBQESA-N 277.346 -0.250 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)NCCCN)cc1 160029138 JKKAQQCJCDGMMD-UHFFFAOYSA-N 271.342 -0.327 70 20 CBID CCCNC(=O)CN(C)C(=O)CN(C)[C@H](CN)C1CC1 160148069 SZPQBEZGOULFJO-GFCCVEGCSA-N 284.404 -0.360 70 20 CBID CNC(=O)c1cccc(CCNC(=O)CNCCOC)c1 160370952 HXDPSQOEDMXNEL-UHFFFAOYSA-N 293.367 -0.059 70 20 CBID Cn1c(CN2CCC(OCCO)CC2)cc(=O)n(C)c1=O 160430288 BPTPLTUIDFAZRI-UHFFFAOYSA-N 297.355 -0.943 70 20 CBID CN[C@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 160795915 UPABUMXTKUGBTN-JTQLQIEISA-N 262.375 -0.123 70 20 CBID CSCC[C@@H](CO)NC(=O)[C@@H]1CN(C)CCO1 159898261 QCLHMAUZSSCSDZ-UWVGGRQHSA-N 262.375 -0.453 70 20 CBID O=C1NC[C@@H]2CN(CCCN3CCCCC3)CCN2C1=O 161416169 KMAMSIQFSGYLAC-CYBMUJFWSA-N 294.399 -0.495 70 20 CBID COC[C@H](O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C 161463340 OGLBPUWKSWGWOO-SNVBAGLBSA-N 293.323 -0.006 70 20 CBID N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1580423709 KMXFTFCQDWWQTB-OLQVQODUSA-N 261.278 -0.108 70 20 CBID O=C(NCCNC[C@@H](O)COC[C@@H]1CCCO1)C1CC1 160742577 PWZGCSXMLLJLSS-OLZOCXBDSA-N 286.372 -0.341 70 20 CBID COC[C@H](N)C(=O)N(CCO)Cc1ccccc1 159734220 WNNXIIJJTRLGCY-LBPRGKRZSA-N 252.314 -0.019 70 20 CBID Cn1cc(N2CC[C@H](N3CCC4(C3)OCCO4)C2=O)cn1 160694457 QGANOPUEJJZXSX-LBPRGKRZSA-N 292.339 -0.026 70 20 CBID CSCC[C@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 160822749 FRDDKOXNEREUMW-WPRPVWTQSA-N 271.386 -0.054 70 20 CBID CSC[C@](C)(O)CNC(=O)CN1C(=O)CN(C)C1=O 217678025 SAVPLQIUYWSXKR-LLVKDONJSA-N 289.357 -0.889 70 20 CBID CN(CC1(O)CCOCC1)C(=O)c1cc[nH]c(=O)c1 217722142 UIRMCRUMMADJRD-UHFFFAOYSA-N 266.297 -0.012 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CSCN3)C2=O)cn1 161140109 ZRPRLWDAVZOSMI-ZJUUUORDSA-N 295.368 -0.696 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CCCCCNC(C)=O 217733685 SXSHYCSDQWRJKA-JTQLQIEISA-N 274.317 -0.667 70 20 CBID O=C(N[C@@H]1COC[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1351946609 NSVPFJJOACPADP-HTQZYQBOSA-N 278.261 -0.838 70 20 CBID CC[C@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 159671674 QRKXHAMPYCGIOB-JTQLQIEISA-N 277.390 -0.441 70 20 CBID Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)[nH]n1 159686879 FPMJZGBENAOFRC-WDEREUQCSA-N 250.302 -0.127 70 20 CBID CCCN(CC1CC1)S(=O)(=O)NC[C@@H](O)COC 160912525 FNVRWEHKADVEHY-LLVKDONJSA-N 280.390 -0.050 70 20 CBID CCS(=O)(=O)N(C)CC(=O)N1C[C@@H]2CCC[C@H](C1)N2 159400403 GWMKNLBTDLQERS-PHIMTYICSA-N 289.401 -0.379 70 20 CBID COCCNCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C 159750701 AQISGKZVQQNOFE-ZJUUUORDSA-N 278.374 -0.744 70 20 CBID CCN1CCCN(C(=O)NCCS(C)(=O)=O)CC1 159810966 CAQBMCVXVOEOLY-UHFFFAOYSA-N 277.390 -0.232 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 160405295 WAQAJHIDLYMEMG-BDAKNGLRSA-N 256.302 -0.077 70 20 CBID CN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O 160495986 JSVFBSFYVGURPI-MXWKQRLJSA-N 251.330 -0.182 70 20 CBID O=C(Cn1cnnn1)Nc1cccc(S(=O)(=O)F)c1 460090870 JCNHTVHNFOFMRX-UHFFFAOYSA-N 285.260 -0.030 70 20 CBID O=C(NC[C@H]1COCO1)c1cc(S(=O)(=O)F)c[nH]1 1347340377 OUFPKHJONZRCOG-LURJTMIESA-N 278.261 -0.224 70 20 CBID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCNC1=O 1123649689 TYJHEFYQIGGVJS-MRVPVSSYSA-N 289.288 -0.367 70 20 CBID C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348405720 NFGLKHLDFMEAPL-SSDOTTSWSA-N 274.273 -0.213 70 20 CBID CCN(CC)S(=O)(=O)NC[C@H](O)COCC1CC1 160692090 KUDKYTVWCZIELA-NSHDSACASA-N 280.390 -0.050 70 20 CBID C[C@@H](CO)CNC(=O)Cc1ccc(-n2cnnn2)cc1 160490096 AEVVXMCHCPMNGG-SNVBAGLBSA-N 275.312 -0.051 70 20 CBID CNC(=S)N(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351946919 RGQWAVWWKHBEMK-UHFFFAOYSA-N 294.333 -0.246 70 20 CBID O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CSCN1 159859910 NBBYUGNOKASJGZ-RNFRBKRXSA-N 297.302 -0.072 70 20 CBID CCS(=O)(=O)NC[C@H](C)CN1CCOCC1 160396488 MKIVOXAQBPBVET-JTQLQIEISA-N 250.364 -0.106 70 20 CBID CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1345436196 KDDSZVRNWUULIM-UHFFFAOYSA-N 263.294 -0.036 70 20 CBID O=C(NC[C@H]1COCCO1)c1cc(S(=O)(=O)F)c[nH]1 1346209499 RMMABSOPTNEBJU-ZETCQYMHSA-N 292.288 -0.182 70 20 CBID COC[C@@H](C)S(=O)(=O)NC[C@H](C)CN1CCOCC1 160404151 YGMPRMRTLVEFNE-NWDGAFQWSA-N 294.417 -0.091 70 20 CBID CN(C)S(=O)(=O)NC[C@@H](O)COCC1CC1 160686728 MTXJFWBKLQOJNO-SECBINFHSA-N 252.336 -0.830 70 20 CBID COC[C@@H](O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123648817 MYJRFSMCNUUCGG-ZETCQYMHSA-N 294.304 -0.200 70 20 CBID CC(C)(O)C(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123742954 UDVIKRYECXLPNE-UHFFFAOYSA-N 293.276 -0.795 70 20 CBID Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CC(O)C1 161453729 YNFKVKNQVLCJAX-CYBMUJFWSA-N 287.323 -0.032 70 20 CBID CC(C)CN(CC(N)=O)C(=O)Cn1ccccc1=O 159785097 LOAPCHYIXWLTEM-UHFFFAOYSA-N 265.313 -0.182 70 20 CBID CCC(N)(CC)CNC(=O)CN(C)S(=O)(=O)CC 160464965 VMESMNIGEUQLQV-UHFFFAOYSA-N 279.406 -0.098 70 20 CBID CNC[C@@H]1CCCN1C(=O)CN1CSCC1=O 161364456 MDEJOPFWOXNGAN-VIFPVBQESA-N 257.359 -0.270 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CNC(=O)c1cccc(F)c1 217715664 OBALQPMYDBAFQG-JTQLQIEISA-N 298.270 -0.794 70 20 CBID Cn1cc(N2CCN(C(=O)C[C@@H]3CCCN3)CC2=O)cn1 159388806 RPRXUTPFPMGIAO-NSHDSACASA-N 291.355 -0.263 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C)CCO 159917091 WWTRDEKAAGHLQR-IUCAKERBSA-N 266.363 -0.120 70 20 CBID O=C([C@H]1C[C@H](O)CN1)N1CCN(C2CCC2)CC1 218543367 FXQPDYPRFCWJIJ-NWDGAFQWSA-N 253.346 -0.594 70 20 CBID CN(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348404277 DGPDONMLVGELAE-SSDOTTSWSA-N 293.320 -0.675 70 20 CBID COCC(=O)N(C)CC(=O)NC[C@@H]1CCCCO1 160106469 OMLDJSCIIVXATM-JTQLQIEISA-N 258.318 -0.224 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 160387469 SWEUYEWTZQJGAL-ZJUUUORDSA-N 258.318 -0.225 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)CO)cc1 160410712 PYDRKTNUJFVBES-VIFPVBQESA-N 286.353 -0.047 70 20 CBID CCN1C[C@H](C(=O)N(CC(N)=O)CC(C)C)CC1=O 159732199 YVYUXWRQEGFWTB-SNVBAGLBSA-N 269.345 -0.175 70 20 CBID NC(=O)[C@H]1CC(C(=O)N2CC(O)C2)=NN1c1ccccc1 161444969 NPWKLLJRQIRUEG-GFCCVEGCSA-N 288.307 -0.690 70 20 CBID CC(C)N1C[C@@H](NC(=O)N2CCN(C)CC2)CC1=O 217288309 GKEPBMDZAHSUMT-NSHDSACASA-N 268.361 -0.047 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1ccccc1OC 217684674 IZYWLKPPQGBTSR-SNVBAGLBSA-N 267.281 -0.112 70 20 CBID CN1CC[C@@H](NC(=O)NCCn2cccn2)C1=O 160045794 MNDOFJICYTUVMA-SECBINFHSA-N 251.290 -0.587 70 20 CBID O=C(N[C@@H]1CCN2CCCC[C@@H]12)[C@H]1C[C@@H](O)CN1 217810689 IKENJHYZPILXDX-KKOKHZNYSA-N 253.346 -0.548 70 20 CBID CC[C@H](C)N(C)CCNC(=O)Cn1cnc(N)n1 218042211 SVCHBNVFWMGZMZ-VIFPVBQESA-N 254.338 -0.293 70 20 CBID O=C1CC[C@@H]2CN(C(=O)[C@@H]3COCCO3)CC[C@H]2N1 160678113 KIAZQHSFYBTJSK-MXWKQRLJSA-N 268.313 -0.471 70 20 CBID C[C@@H](C(=O)N(C)CC(=O)NCC(C)(C)N)n1cccn1 160091532 FMKNMMZIZPPCBF-JTQLQIEISA-N 281.360 -0.244 70 20 CBID CCN(C)S(=O)(=O)NC[C@H](O)COCC1CC1 160706166 DLRRJACEOVPCDY-JTQLQIEISA-N 266.363 -0.440 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1ccc(OC)cc1 217691406 VNWZKIZAIRQJCT-LLVKDONJSA-N 267.281 -0.112 70 20 CBID COC[C@H](O)CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 161487909 PYAAPFOQVGWGJI-SNVBAGLBSA-N 293.323 -0.006 70 20 CBID O=C(N[C@H]1CCOC1=O)c1cc(S(=O)(=O)F)c[nH]1 1123830144 RSVXMRRMDBMDLY-LURJTMIESA-N 276.245 -0.282 70 20 CBID CCCN1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 160399789 XGHZIDIOGKOVOL-NSHDSACASA-N 296.371 -0.081 70 20 CBID CN[C@H]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1 160789112 WNYYZRZNIBPLML-VIFPVBQESA-N 289.343 -0.391 70 20 CBID Cn1cc(CN[C@@H]2CCN3CCCC[C@@H]23)c(=O)n(C)c1=O 217625843 YOKNKDBJJXTBLR-OLZOCXBDSA-N 292.383 -0.200 70 20 CBID CC[C@@H](C)N(C)CCNC(=O)Cn1cnc(N)n1 218042138 SVCHBNVFWMGZMZ-SECBINFHSA-N 254.338 -0.293 70 20 CBID COCCCS(=O)(=O)N[C@H]1CCN(C)C1=O 160467446 IANFOLUBRAUQSU-QMMMGPOBSA-N 250.320 -0.827 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 160715635 LCGIUASDERNPGE-DTWKUNHWSA-N 256.302 -0.030 70 20 CBID N[C@H](Cc1ccccc1)C(=O)NCCN1C(=O)CNC1=O 160067694 UDGKZNCDTQQZBF-LLVKDONJSA-N 290.323 -0.776 70 20 CBID NC(=O)[C@@H]1CC(C(=O)N2CC(O)C2)=NN1c1ccccc1 161444834 NPWKLLJRQIRUEG-LBPRGKRZSA-N 288.307 -0.690 70 20 CBID CCCN(C)S(=O)(=O)NC[C@](C)(O)CN(C)C 161473725 MUSWBYPGBYFSKR-JTQLQIEISA-N 267.395 -0.525 70 20 CBID CCS(=O)(=O)NCCSCCN1CCOCC1 159938716 XNROXBUMCGORCK-UHFFFAOYSA-N 282.431 -0.009 70 20 CBID CCNCC1CCN(C(=O)[C@H]2CNCCO2)CC1 161124148 FFPWNPARJGVLGZ-GFCCVEGCSA-N 255.362 -0.177 70 20 CBID CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCN2CCCC[C@@H]12 217485859 WAQJXYMAYJBAAE-DYEKYZERSA-N 296.415 -0.171 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 217697740 QFGWCKXXFKJCQO-MNOVXSKESA-N 298.339 -0.715 70 20 CBID CC[C@H](CCO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 160114047 UWLLVUPOSGCXDY-SECBINFHSA-N 283.328 -0.419 70 20 CBID CC(C)CS(=O)(=O)CC(=O)NC[C@H](C)CO 160484186 BUPPGHMIKFOOND-VIFPVBQESA-N 251.348 -0.198 70 20 CBID COC(=O)CCn1nc(C)c(CN2CCNC(=O)C2)c1C 160496584 HEJMGMHBUVCWJC-UHFFFAOYSA-N 294.355 -0.005 70 20 CBID CN(C)C[C@@](C)(O)CNS(=O)(=O)CC[C@@H]1CCCO1 161445717 XIKINRMEDWWVNK-RYUDHWBXSA-N 294.417 -0.213 70 20 CBID NC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 217056127 WBUBCCMIMJEETL-GHMZBOCLSA-N 268.361 -0.948 70 20 CBID CC(C)C[C@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 159385373 WXJUFTFRHPVBRC-LBPRGKRZSA-N 293.371 -0.031 70 20 CBID CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160565566 GNDIZRYJMZGGHY-IEBDPFPHSA-N 267.329 -0.362 70 20 CBID NC(=O)CN1CCN(C(=O)[C@H]2CCCCO2)CC1 161127233 YBHMLROVPHCUFZ-SNVBAGLBSA-N 255.318 -0.815 70 20 CBID Cc1nn(CCS(=O)(=O)F)cc1S(=O)(=O)N(C)C 883954027 WJNPJNARWIRXJP-UHFFFAOYSA-N 299.349 -0.259 70 20 CBID CCC(N)(CC)CNC(=O)CS(=O)(=O)NC 160445674 PDJBZYKRNBZUQU-UHFFFAOYSA-N 251.352 -0.831 70 20 CBID CN[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 160794560 LYPXQZMSTBXDEN-SNVBAGLBSA-N 287.323 -0.388 70 20 CBID Cn1ccc(C(=O)NCC2CCN(CCO)CC2)cc1=O 160541098 FROCIOKTHFIETI-UHFFFAOYSA-N 293.367 -0.181 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCCNC1 160095016 JLNBJEWESVBUIN-UWVGGRQHSA-N 262.375 -0.075 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cnc2onc(C)c2c1 217738924 RRVYMVNHXLAMKJ-VIFPVBQESA-N 279.252 -0.205 70 20 CBID COC[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1345747884 LKICUHGQILSTAQ-JTQLQIEISA-N 294.304 -0.200 70 20 CBID O=C(COC1CCNCC1)NCCNC(=O)C1CC1 160770992 VVKWQYYBAKKVBW-UHFFFAOYSA-N 269.345 -0.603 70 20 CBID CN1CC[C@@H](C(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 216660158 RVKOIGWNGDIBHC-ZJUUUORDSA-N 260.359 -0.416 70 20 CBID C[C@@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 159671095 JTVAARNKLUDHMJ-MRVPVSSYSA-N 263.363 -0.831 70 20 CBID CN(C)S(=O)(=O)NC[C@H](O)COCC1CC1 160686595 MTXJFWBKLQOJNO-VIFPVBQESA-N 252.336 -0.830 70 20 CBID CNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217032517 RNJUPAQNRBZZNL-NEPJUHHUSA-N 282.388 -0.687 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCCNC1 160094607 JLNBJEWESVBUIN-NXEZZACHSA-N 262.375 -0.075 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 160387731 SWEUYEWTZQJGAL-NXEZZACHSA-N 258.318 -0.225 70 20 CBID CNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1 161423817 VSBDZXHGNHBYKX-LBPRGKRZSA-N 283.372 -0.118 70 20 CBID O=C(NCCCN1CCCC1)c1ccc(=O)[nH]n1 218692549 LXBYNLBDLROLAR-UHFFFAOYSA-N 250.302 -0.014 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 160036056 VWLVHBVMTSJMPV-MRVPVSSYSA-N 267.285 -0.148 70 20 CBID CC[C@H](COC)NS(=O)(=O)N(C)CCOC 160324019 YMTHXYLVBJMZNX-SECBINFHSA-N 254.352 -0.176 70 20 CBID C[C@@H](CO)N(C)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 161273426 MWZZPZIGIKGNDW-ZETCQYMHSA-N 285.325 -0.143 70 20 CBID COC(=O)[C@H](O)CNC(=O)CNC(=O)c1cccc(F)c1 217715764 OBALQPMYDBAFQG-SNVBAGLBSA-N 298.270 -0.794 70 20 CBID COCCNCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C 159750842 AQISGKZVQQNOFE-UWVGGRQHSA-N 278.374 -0.744 70 20 CBID CC(C)OCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 160604255 CNBFBFUCVNGZGP-UHFFFAOYSA-N 281.316 -0.203 70 20 CBID Cc1cnn(CCNC(=O)N2C[C@H]3[C@@H](C2)OCCN3C)c1 161132287 ZIIYRTFOPPTMAS-QWHCGFSZSA-N 293.371 -0.084 70 20 CBID CN1CCC[C@H]1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 216660572 TZVKJLXKBYJCSL-UWVGGRQHSA-N 260.359 -0.274 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 217720879 QLTQMULOVJUCMF-ONGXEEELSA-N 265.265 -0.360 70 20 CBID O=C1c2nccnc2C(=O)N1CCS(=O)(=O)F 883953836 MRXUBAQQFGCNII-UHFFFAOYSA-N 259.218 -0.628 70 20 CBID Cn1cc(-c2ccc(=O)n(CCS(=O)(=O)F)n2)cn1 883953959 SNWRLUOLDATUSS-UHFFFAOYSA-N 286.288 -0.057 70 20 CBID NC(=O)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346040895 RJLSGAZEYHEARZ-UHFFFAOYSA-N 277.277 -0.332 70 20 CBID CCCN1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 160399634 XGHZIDIOGKOVOL-LLVKDONJSA-N 296.371 -0.081 70 20 CBID Cn1cnnc1Cn1nnn(-c2ccccc2)c1=O 161005315 UIRDNEZTYDLTPS-UHFFFAOYSA-N 257.257 -0.394 70 20 CBID CC(=O)c1cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n(C)c1 161041642 HPXWENZTURAAKF-ZYHUDNBSSA-N 293.323 -0.010 70 20 CBID O=C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCCN1 1347787433 ZKIOZMPABJZRAT-UHFFFAOYSA-N 289.288 -0.365 70 20 CBID COC(=O)[C@H]1C[C@H]1C(=O)NCC1CCN(CCO)CC1 160729599 GNZQPUDBEHAFOS-NEPJUHHUSA-N 284.356 -0.384 70 20 CBID COCCN(CCO)S(=O)(=O)c1cn(C)c(Cl)n1 161013287 UOKFWBRLRPJFAE-UHFFFAOYSA-N 297.764 -0.297 70 20 CBID CN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 217039399 HHRVFNLOUYOUID-QWHCGFSZSA-N 296.415 -0.345 70 20 CBID CCN1CCN(C(=O)[C@H](C)N(C)C[C@@H](C)O)CC1 159424377 CTHVUPYFIHEHFM-NEPJUHHUSA-N 257.378 -0.148 70 20 CBID COCCN(C)CCNC(=O)C(=O)Nc1ccc(F)nc1 160418664 DXTRPHQIPCLBOK-UHFFFAOYSA-N 298.318 -0.146 70 20 CBID Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C)(O)CC1 161275577 GNZMZWWNHYEYLD-UHFFFAOYSA-N 295.339 -0.322 70 20 CBID CC(C)(N)CNC(=O)CN1C(=O)NC(C)(C)C1=O 160079672 WHHKHOQDYVYIQH-UHFFFAOYSA-N 256.306 -0.830 70 20 CBID COCCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160359724 JPENQOXMOGREKS-NXEZZACHSA-N 278.374 -0.143 70 20 CBID C[C@H]1COCCN1Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 161386061 NUFXKWGNPUOYEN-QMMMGPOBSA-N 293.327 -0.819 70 20 CBID COC[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123727900 RTDNCBDWLBUCHJ-ZCFIWIBFSA-N 280.277 -0.590 70 20 CBID CCNS(=O)(=O)[C@@H]1CCN(Cc2n[nH]c(CC)n2)C1 160234727 MVVPOJUAFZUJFL-SECBINFHSA-N 287.389 -0.119 70 20 CBID COC(=O)[C@H](O)CNC(=O)COc1ccccc1OC 217696043 CWIPCSBIMBDKJA-SECBINFHSA-N 283.280 -0.276 70 20 CBID O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCNC1 160821689 WYFJNMWILKXUAW-VHSXEESVSA-N 251.330 -0.135 70 20 CBID C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN 160079901 NGGSBGQNGNLHPM-MRVPVSSYSA-N 291.398 -0.120 70 20 CBID CN(Cc1nc(N)nc(N)n1)C[C@H]1CCC[C@@H]1O 159622339 IPHVPCYCHYYVOR-SFYZADRCSA-N 252.322 -0.371 70 20 CBID CNC(=O)C1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1 160246684 KPMBWMZICORTEL-AOOOYVTPSA-N 251.330 -0.135 70 20 CBID CC(=O)c1c(C)n(C)c(=O)n(CCS(=O)(=O)F)c1=O 883954750 YGJHINSTGQFSFR-UHFFFAOYSA-N 292.288 -0.643 70 20 CBID C#CCN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1031980793 YVSFEWMFVVVCQS-UHFFFAOYSA-N 299.327 -0.032 70 20 CBID C[C@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 159670806 JTVAARNKLUDHMJ-QMMMGPOBSA-N 263.363 -0.831 70 20 CBID CCn1nccc1CN1CCNC(=O)[C@@H]1CC(=O)OC 159812176 IBKMDTXXPYHFQO-NSHDSACASA-N 280.328 -0.234 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H](N)C(C)C 160095451 HDHNYAXZRBRQNP-BDAKNGLRSA-N 250.364 -0.091 70 20 CBID CCCN(C)S(=O)(=O)NCCCN1CCOCC1 160882070 FOAKLSHHYGLCAI-UHFFFAOYSA-N 279.406 -0.115 70 20 CBID CCNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1528548971 HJKOXGKFURKTRR-UHFFFAOYSA-N 277.277 -0.461 70 20 CBID C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN 160079771 NGGSBGQNGNLHPM-QMMMGPOBSA-N 291.398 -0.120 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 160405049 WAQAJHIDLYMEMG-RKDXNWHRSA-N 256.302 -0.077 70 20 CBID Cn1cc(S(=O)(=O)N2CC[C@@H](O)C2)nc1Cl 161148320 KEJQNBHIDZOYEQ-ZCFIWIBFSA-N 265.722 -0.171 70 20 CBID CNC(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348405891 PMLDLNSXBNCRQU-ZCFIWIBFSA-N 291.304 -0.073 70 20 CBID O=C(NN1CCCC1=O)c1cc(S(=O)(=O)F)c[nH]1 1527976776 JFKUGMDWDVMBRU-UHFFFAOYSA-N 275.261 -0.060 70 20 CBID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1COC[C@H]1O 1303750067 WAFVQYHTJKAKIJ-RKDXNWHRSA-N 292.288 -0.495 70 20 CBID CC[C@@H](C)[C@@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 159388530 AERGQCWAZONWEI-ZWNOBZJWSA-N 293.371 -0.031 70 20 CBID NC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217056093 WBUBCCMIMJEETL-QWRGUYRKSA-N 268.361 -0.948 70 20 CBID CCONC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347340020 KZCYKONMZSFNKX-UHFFFAOYSA-N 293.276 -0.530 70 20 CBID CN1CC[C@@H](N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O 159392379 UJLMHPJPWXVKRG-CHWSQXEVSA-N 294.399 -0.369 70 20 CBID CO[C@]1(CNCC(=O)N2CCN(C)CC2)CCOC1 160274129 CZPNCXADQVDEFZ-ZDUSSCGKSA-N 271.361 -0.845 70 20 CBID CSC[C@@](C)(O)CNC(=O)CS(C)(=O)=O 217632836 NDXBTIFNEDBXBM-QMMMGPOBSA-N 255.361 -0.739 70 20 CBID CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)CO)co1 160683831 LSOOWSHZEWQUNL-UHFFFAOYSA-N 290.341 -0.064 70 20 CBID CC(C)c1cc(=O)n(CC(=O)N2CCNC2=O)cn1 160861543 VWFDYXNBNOPJBH-UHFFFAOYSA-N 264.285 -0.082 70 20 CBID O=S(=O)(NCC1CCN(CCO)CC1)c1c[nH]cn1 161421678 UXPXZAKWZFUFDE-UHFFFAOYSA-N 288.373 -0.608 70 20 CBID C[C@@H](CCO)NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 160302493 PWJSWUCVWMBTJA-GXSJLCMTSA-N 295.343 -0.405 70 20 CBID C[C@@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O 160495064 NTDIDDNJELMZDO-SSDOTTSWSA-N 252.336 -0.941 70 20 CBID O=C1CN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CCN1 160693068 MMYOAJKMWLVYEI-LLVKDONJSA-N 266.345 -0.388 70 20 CBID O=C(NC[C@]1(O)CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1123648928 OFRWQLQOPUWTPT-SNVBAGLBSA-N 292.288 -0.446 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1c[nH]nc1C 159842059 MYCUNFCVAJIZSF-SNVBAGLBSA-N 266.301 -0.418 70 20 CBID C[C@@H](C(=O)NC(N)=O)N1CCN(c2ccncc2)CC1 161339997 XLJXPTJPANLLPX-JTQLQIEISA-N 277.328 -0.213 70 20 CBID O=C(Nn1cnnc1)c1cc(S(=O)(=O)F)c[nH]1 1527976245 AXCSNABCZPHYBH-UHFFFAOYSA-N 259.222 -0.352 70 20 CBID COCCN(C)C(=O)N[C@@H]1CCc2ncnn2C1 161319985 DTBCMKCHKKTKHT-SECBINFHSA-N 253.306 -0.119 70 20 CBID COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC 218090742 JDCBJWSBPHKPSA-YUMQZZPRSA-N 258.274 -0.105 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)NC(=O)CO2 217729691 SDGXRQCXACJPHP-VIFPVBQESA-N 294.263 -0.719 70 20 CBID CSC[C@](C)(O)CNCc1cn(C)c(=O)n(C)c1=O 217862620 VEZGQOPNUKMSCL-GFCCVEGCSA-N 287.385 -0.712 70 20 CBID COC[C@@H](O)CNC(=O)CN(C)[C@@H]1CCSC1 159943277 IASWLLNCBFYHGU-ZJUUUORDSA-N 262.375 -0.453 70 20 CBID CCc1nc(CN2CCN(C(=O)[C@H](C)O)CC2)n[nH]1 160183804 BFWAMTSFWMNACN-VIFPVBQESA-N 267.333 -0.608 70 20 CBID CCOC(=O)CCCOC(=O)CS(C)(=O)=O 217572735 CLUWWEKYOQKLSM-UHFFFAOYSA-N 252.288 -0.083 70 20 CBID CSC[C@@](C)(O)CNCc1cn(C)c(=O)n(C)c1=O 217862540 VEZGQOPNUKMSCL-LBPRGKRZSA-N 287.385 -0.712 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H]1CO 1355090430 KDMZGJYCMJFIEH-ZCFIWIBFSA-N 262.262 -0.120 70 20 CBID O=C(N[C@H]1CCOC1)N1CCN2C(=O)NC[C@@H]2C1 159464638 VVAIBRBYWZDTOW-DTWKUNHWSA-N 254.290 -0.806 70 20 CBID CN1CCO[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)C1 160028731 AHFSMKIDXLNBLS-SNVBAGLBSA-N 290.385 -0.647 70 20 CBID N[C@@H]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 160299600 XWAZODGFISFHSN-GMTAPVOTSA-N 279.340 -0.279 70 20 CBID C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346320640 QLZVFAHRXOMYOV-UHFFFAOYSA-N 289.288 -0.295 70 20 CBID CCOC(=O)[C@H]1CCCN1C(=O)CN1CCC(=O)NC1=O 218195067 WRCMYZBTXWMOAC-SECBINFHSA-N 297.311 -0.518 70 20 CBID COCCCS(=O)(=O)NC[C@@H](C)CN1CCOCC1 160372941 BOBJNHZBKQQYLR-GFCCVEGCSA-N 294.417 -0.089 70 20 CBID O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CC(O)C1 161415760 GPOZQWZAACKYCS-UHFFFAOYSA-N 296.348 -0.056 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cn2ccccc2n1 217737106 WUOUEFHUIAZUOS-VIFPVBQESA-N 263.253 -0.402 70 20 CBID O=C(NCCOCCO)c1cc(S(=O)(=O)F)c[nH]1 1346040874 QHPCLGBHDCXOEW-UHFFFAOYSA-N 280.277 -0.588 70 20 CBID CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCO 159508839 RHTPSVBOMPFMSM-LLVKDONJSA-N 290.327 -0.039 70 20 CBID CCc1nc(CN2CCO[C@H](C(=O)NC)C2)n[nH]1 160755967 RWCBDUNABSEMEZ-QMMMGPOBSA-N 253.306 -0.686 70 20 CBID COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)N 217052064 SNKIJYNOTQPHAR-BDAKNGLRSA-N 273.333 -0.846 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(CO)o1 159818805 YSQGYVMHABSANF-NSHDSACASA-N 282.296 -0.365 70 20 CBID CCCN(CC(=O)NC)C(=O)c1cccc(=O)n1C 160727180 IYFQCPSENNAZLG-UHFFFAOYSA-N 265.313 -0.017 70 20 CBID COC(=O)CNC(=O)CN(C)C[C@H]1CCC[C@@H]1O 159838957 OTZPNXCQDNPEAO-ZJUUUORDSA-N 258.318 -0.632 70 20 CBID C[C@]1(C(=O)N2CCC[C@@H](C(=O)NCCN)C2)CCCNC1 161273388 YPXCXQCSUUQNCY-DOMZBBRYSA-N 296.415 -0.310 70 20 CBID CNC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 161319709 XMYUTZAHLDDLOS-UHFFFAOYSA-N 277.328 -0.341 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 217697910 QFGWCKXXFKJCQO-QWRGUYRKSA-N 298.339 -0.715 70 20 CBID O=C1CC[C@H]2CN(CCC(=O)N3CCNCC3)CC[C@@H]2N1 160329378 PCXRLYSMQCAZCN-STQMWFEESA-N 294.399 -0.591 70 20 CBID Nc1nc(N)nc(CSCCN2CCOCC2)n1 159756784 JQBUEUFTCMQQNO-UHFFFAOYSA-N 270.362 -0.399 70 20 CBID O=C1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@H]2N1 160259983 KOVXYQTZYXZVAE-IJLUTSLNSA-N 281.356 -0.508 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CO)o1 160514049 MFVGPXAOBLPOSD-SSDOTTSWSA-N 276.314 -0.454 70 20 CBID CN(C)C[C@@](C)(O)CNS(=O)(=O)CC1CCOCC1 161428727 BANNBUDLEOBJBX-LBPRGKRZSA-N 294.417 -0.355 70 20 CBID CC(C)N1C[C@H](NC(=O)NCCN(C)C)CC1=O 217288771 DIEYFWFJZBBHIX-SNVBAGLBSA-N 256.350 -0.144 70 20 CBID CN(C)C[C@](C)(O)CNS(=O)(=O)CCCF 161509762 RKVPGASAPSGFIB-SECBINFHSA-N 256.343 -0.422 70 20 CBID CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217037694 INVMHHKMMPEITO-STQMWFEESA-N 296.415 -0.297 70 20 CBID CN(C)CCONC(=O)c1cc(S(=O)(=O)F)c[nH]1 1528468693 AUQRYZGBYJJDGJ-UHFFFAOYSA-N 279.293 -0.104 70 20 CBID Cc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cn1 160444327 FLHKRQBIOWNBFL-UHFFFAOYSA-N 262.269 -0.713 70 20 CBID CN(C)C(=O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1340082776 YVDLISUHOYBZLP-UHFFFAOYSA-N 291.304 -0.167 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1CC1=CCCOC1 159831747 YZHODLDFXSQTIW-LLVKDONJSA-N 268.313 -0.303 70 20 CBID CC(=O)N1CCN(C(=O)[C@H](C)N(C)C[C@H](O)C2CC2)CC1 160789114 KYEXCUKBNIVIDK-FZMZJTMJSA-N 297.399 -0.232 70 20 CBID N[C@H]1CCC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 160896669 PIITZHONHVEXQW-VHSXEESVSA-N 267.329 -0.088 70 20 CBID CC(=O)N1CCN(C(=O)CN(C)[C@H](CN)C2CC2)CC1 160084354 YNWKXVBCGMTBEF-CYBMUJFWSA-N 282.388 -0.654 70 20 CBID C[C@@H](CNC(=O)Cn1cnc(N)n1)N(C)C1CC1 217949641 XXJDXPFNRPICOA-QMMMGPOBSA-N 252.322 -0.541 70 20 CBID CN[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 160505738 RFBBZJQLEVKPFV-YGRLFVJLSA-N 294.355 -0.473 70 20 CBID Cc1nc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cn1C 161457506 LYLHIWHTTAOFOA-NSHDSACASA-N 290.389 -0.681 70 20 CBID CCN1CCN(CC(=O)N[C@@H]2CCC[C@H](N)C2)C(=O)C1=O 161499977 IBZKYALPDTYANW-WDEREUQCSA-N 296.371 -0.937 70 20 CBID CS(=O)(=O)CCC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 160672737 VJJJJYDNBLBEBE-VHSXEESVSA-N 288.369 -0.452 70 20 CBID CN[C@@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 160746709 GIXMUMCBOVGBKI-UTUOFQBUSA-N 293.367 -0.018 70 20 CBID NC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 217056058 WBUBCCMIMJEETL-WDEREUQCSA-N 268.361 -0.948 70 20 CBID CC(C)CN(CC(N)=O)C(=O)CCn1cncn1 159742124 KWCFYQPLSFOTKR-UHFFFAOYSA-N 253.306 -0.362 70 20 CBID COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CCN(CCO)CC1 160729313 GNZQPUDBEHAFOS-RYUDHWBXSA-N 284.356 -0.384 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cc2ccccc2c(=O)[nH]1 217727748 RYVNQIOEOWIIDM-NSHDSACASA-N 290.275 -0.208 70 20 CBID COCCNCC(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 160224105 DCMIZFWMNIJBQD-QWRGUYRKSA-N 269.345 -0.651 70 20 CBID Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCN(C)C1=O 160472082 SBGARZNLTYJEQH-SECBINFHSA-N 286.357 -0.454 70 20 CBID C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347083919 UIGYZOJJYXAWFK-ZCFIWIBFSA-N 262.262 -0.050 70 20 CBID COc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)nn1 160155277 OLDBQZNWGDYBPX-LLVKDONJSA-N 293.371 -0.149 70 20 CBID C[C@@H]1COCCN1Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 161385953 NUFXKWGNPUOYEN-MRVPVSSYSA-N 293.327 -0.819 70 20 CBID Cn1cc(CN[C@H]2CCN3CCCC[C@@H]23)c(=O)n(C)c1=O 217625927 YOKNKDBJJXTBLR-STQMWFEESA-N 292.383 -0.200 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1cn2ccsc2n1 217683057 WUDFKURPUNYORO-MRVPVSSYSA-N 283.309 -0.412 70 20 CBID CC(=O)N1CCN(C(=O)CN(C)[C@@H](CN)C2CC2)CC1 160084215 YNWKXVBCGMTBEF-ZDUSSCGKSA-N 282.388 -0.654 70 20 CBID C[C@H](C(=O)N(C)CC(=O)NCC(C)(C)N)n1cccn1 160091647 FMKNMMZIZPPCBF-SNVBAGLBSA-N 281.360 -0.244 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnccn1 160331719 SCXDOCCWYCBXOJ-NXEZZACHSA-N 298.368 -0.076 70 20 CBID COC[C@@H](C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160826456 BZRCMYYFNRHPJY-LLVKDONJSA-N 294.417 -0.260 70 20 CBID CCC(O)(CC)CNS(=O)(=O)N(C)CCOC 160205257 QJTDGDVPQNMQRY-UHFFFAOYSA-N 268.379 -0.050 70 20 CBID C#CCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966636 WAHOCVVSJJNBRR-UHFFFAOYSA-N 285.300 -0.280 70 20 CBID CSCC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 160822880 FRDDKOXNEREUMW-WCBMZHEXSA-N 271.386 -0.054 70 20 CBID NC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217056164 WBUBCCMIMJEETL-MNOVXSKESA-N 268.361 -0.948 70 20 CBID CN(CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[C@@H]1O 159815318 TYHJLPIWCZYLMU-QWRGUYRKSA-N 269.345 -0.962 70 20 CBID C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2CO)[C@H](C)CO1 159857901 RDLWEYFAGYHOAM-MXWKQRLJSA-N 278.374 -0.203 70 20 CBID CC(=O)N[C@H](C)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160565294 GNDIZRYJMZGGHY-FBIMIBRVSA-N 267.329 -0.362 70 20 CBID Cn1cnnc1CN1CCN(CC(=O)N2CCCC2)CC1 160703446 SZJPLVXBSCZPDV-UHFFFAOYSA-N 292.387 -0.445 70 20 CBID CC(C)[C@H](N)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 161029202 NGAOIGRQDCZIRW-BDAKNGLRSA-N 263.363 -0.880 70 20 CBID O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CC(O)C1 161411840 SSIMCXLPNXFREQ-AOOOYVTPSA-N 266.297 -0.635 70 20 CBID CCn1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)cn1 161442440 CHVSRYXMYWWSIB-NSHDSACASA-N 290.389 -0.506 70 20 CBID COC[C@@H](C)S(=O)(=O)N[C@H]1CCN(C)C1=O 160489218 ZRWOCUZNKOYNOS-SFYZADRCSA-N 250.320 -0.829 70 20 CBID COCCN(CCO)C(=O)c1ccc(CNC(N)=O)cc1 160606201 RZBGCHSZOPPWFD-UHFFFAOYSA-N 295.339 -0.064 70 20 CBID CC(=O)N1CCN(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)CC1 159485644 GOYLAJUOPMHZSY-KGLIPLIRSA-N 297.399 -0.230 70 20 CBID CN(CC(=O)NCC1CCC1)CC(C)(CO)CO 159532325 SVYPPOHVLGZWAD-UHFFFAOYSA-N 258.362 -0.175 70 20 CBID Cn1cc(N2CCN(C(=O)[C@H]3CSCN3)CC2=O)cn1 161023001 QPBRZYFAPKDDFI-SNVBAGLBSA-N 295.368 -0.742 70 20 CBID C[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348384573 KNCIUJHPNHIQAH-RXMQYKEDSA-N 250.251 -0.217 70 20 CBID O=C(NCCCN1CCOCC1)N[C@@H]1CCOC1 159438661 BIGXBZPLFAOOFN-LLVKDONJSA-N 257.334 -0.203 70 20 CBID O=C(CN1CCN(C(=O)[C@@H]2CCCCO2)CC1)NC1CC1 161071946 XANMHYVJFCBMHO-ZDUSSCGKSA-N 295.383 -0.022 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(OC)cc1OC 217688849 DTDVZTDMZKNBPN-JTQLQIEISA-N 283.280 -0.033 70 20 CBID CC[C@H](C(N)=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217056587 HBWBIQYXMQXKBM-FRRDWIJNSA-N 296.415 -0.170 70 20 CBID CNS(=O)(=O)c1cc(C(=O)NCCO)ccc1F 159431861 YJPBHCHTFCLMFY-UHFFFAOYSA-N 276.289 -0.544 70 20 CBID O=C(CN1C(=O)CCC1=O)N1CCc2ncncc2C1 218051220 ABBHNNQMIWBIGR-UHFFFAOYSA-N 274.280 -0.490 70 20 CBID C[C@H](CO)CNC(=O)C(C)(C)NS(C)(=O)=O 160494944 NTDIDDNJELMZDO-ZETCQYMHSA-N 252.336 -0.941 70 20 CBID CN(C(=O)[C@H]1CCCN1C)[C@H]1CCS(=O)(=O)C1 216660600 TZVKJLXKBYJCSL-VHSXEESVSA-N 260.359 -0.274 70 20 CBID CN(CCN1C(=O)CNC1=O)C[C@@H]1CCC[C@@H]1O 159788101 DBSYBHSODFPTCU-UWVGGRQHSA-N 255.318 -0.369 70 20 CBID CCN1C[C@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1=O 160646678 XJAINFURCCIFKF-UTUOFQBUSA-N 293.367 -0.018 70 20 CBID Cc1ccnc(N2CCN(S(N)(=O)=O)CC2)c1 161243896 ZKSWCTJDECFMDA-UHFFFAOYSA-N 256.331 -0.284 70 20 CBID N[C@@H]1CCC[C@H](NC(=O)CN2CSCC2=O)C1 161356064 BWYMVAFHYKPGGR-BDAKNGLRSA-N 257.359 -0.095 70 20 CBID CCc1nc(CN2CCN(CCOC)C(=O)C2)n[nH]1 160224229 CCCLVBRZJKCDKE-UHFFFAOYSA-N 267.333 -0.342 70 20 CBID CCn1c(=O)[nH]c2cc(C(=O)N3CC(O)C3)ccc2c1=O 161421646 LXXZKZYEKYPDIY-UHFFFAOYSA-N 289.291 -0.474 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 160715505 LCGIUASDERNPGE-RKDXNWHRSA-N 256.302 -0.030 70 20 CBID CN1CCNC[C@H]1CNS(=O)(=O)c1ccccc1 217236879 JUEUGFIPMSSNSV-NSHDSACASA-N 269.370 -0.132 70 20 CBID CN(CC(=O)NCC(=O)N1CCCC1)C[C@@H]1CCC[C@@H]1O 159835011 VFKUZNMXNCGFFP-STQMWFEESA-N 297.399 -0.182 70 20 CBID CC(C)[C@H](N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 161028940 NGAOIGRQDCZIRW-IUCAKERBSA-N 263.363 -0.880 70 20 CBID COC[C@@H](C)S(=O)(=O)NCC1CCN(CCO)CC1 161402404 AWGYBWVDGAWSRC-LLVKDONJSA-N 294.417 -0.355 70 20 CBID O=C(CN1CCN(C(=O)[C@H]2CCCCO2)CC1)NC1CC1 161072063 XANMHYVJFCBMHO-CYBMUJFWSA-N 295.383 -0.022 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cc(C(C)=O)cn1C 217731140 NBQQUKPIWAGJOJ-SNVBAGLBSA-N 268.269 -0.509 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)CC3(N)CCC3)C2=O)cn1 159614287 NWMYJDUPQIRNQB-NSHDSACASA-N 291.355 -0.087 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 160293784 RTAADRDEHDTGED-GMTAPVOTSA-N 290.385 -0.143 70 20 CBID NC(=O)CN1CCN(C(=O)[C@@H]2CCCCO2)CC1 161127123 YBHMLROVPHCUFZ-JTQLQIEISA-N 255.318 -0.815 70 20 CBID O=C(NOCCO)c1cc(S(=O)(=O)F)c[nH]1 1519744591 BFJICMFDMPOCCY-UHFFFAOYSA-N 252.223 -0.673 70 20 CBID O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CSCN1 159859773 NBBYUGNOKASJGZ-BQBZGAKWSA-N 297.302 -0.072 70 20 CBID NC[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O 160224938 FAAOLAFNXJJZCQ-SNVBAGLBSA-N 294.355 -0.199 70 20 CBID CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 160715770 LCGIUASDERNPGE-BDAKNGLRSA-N 256.302 -0.030 70 20 CBID O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCNCC1 159379401 CEIVWHMWPMALKS-VIFPVBQESA-N 263.301 -0.806 70 20 CBID CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H](NC)C2)C1=O 160730407 VMHHFKBUFAFXEW-JTQLQIEISA-N 296.371 -0.083 70 20 CBID CSC[C@](C)(O)CNC(=O)CS(C)(=O)=O 217632910 NDXBTIFNEDBXBM-MRVPVSSYSA-N 255.361 -0.739 70 20 CBID NC(=O)[C@@H]1CC[C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)O1 159942714 XPWBILMKQPJLJP-KWQFWETISA-N 289.291 -0.277 70 20 CBID CS(=O)(=O)c1nc(C(=O)N2CC(O)C2)c2ccccn12 161441579 HCHCVHZGRMRUOC-UHFFFAOYSA-N 295.320 -0.446 70 20 CBID C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)C[C@@H](C)O 159437031 WHSNKIXVFAUSJC-ZJUUUORDSA-N 271.361 -0.576 70 20 CBID COCCN(C)C(=O)N[C@H]1CCc2ncnn2C1 161320116 DTBCMKCHKKTKHT-VIFPVBQESA-N 253.306 -0.119 70 20 CBID CO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O 1123727422 MFJHRTWYNQCTNC-RKDXNWHRSA-N 292.288 -0.495 70 20 CBID C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCN 160026688 KKFZHUXLRSBEAC-SNVBAGLBSA-N 285.369 -0.182 70 20 CBID O=C(CC1(CC(=O)N2CC(O)C2)CCCC1)N1CC(O)C1 161452459 RSZIZEHPGOWZRU-UHFFFAOYSA-N 296.367 -0.267 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1cn(C)nc1C 159788884 UQDJQNZAUZQATE-LLVKDONJSA-N 280.328 -0.408 70 20 CBID O=C1CC[C@@H]2CN(CCC(=O)N3CCNCC3)CC[C@@H]2N1 160329642 PCXRLYSMQCAZCN-OLZOCXBDSA-N 294.399 -0.591 70 20 CBID CCN1C[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1=O 160646434 XJAINFURCCIFKF-IJLUTSLNSA-N 293.367 -0.018 70 20 CBID CCOC(=O)[C@H](N)C(=O)NC1CCN(C(C)C)CC1 159556134 VSEORKDYVAUOOW-LLVKDONJSA-N 271.361 -0.134 70 20 CBID CN1CC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C1=O 159625598 ZPQLLOWTSFNFOD-VXGBXAGGSA-N 261.325 -0.097 70 20 CBID CCCN(CC1CC1)S(=O)(=O)NC[C@H](O)COC 160912392 FNVRWEHKADVEHY-NSHDSACASA-N 280.390 -0.050 70 20 CBID COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)CN1CCCCC1 159958204 CEGBDEQHUGINSF-TUAOUCFPSA-N 284.356 -0.242 70 20 CBID CN1CCO[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 159722353 GLIJUMKUWSPOOQ-RYUDHWBXSA-N 277.324 -0.610 70 20 CBID COC[C@@H](C)S(=O)(=O)N[C@@H]1CCN(C)C1=O 160489037 ZRWOCUZNKOYNOS-HTQZYQBOSA-N 250.320 -0.829 70 20 CBID COCCNCC(=O)NCc1ccccc1OCCO 159811299 SDCYOSDNYRNRKT-UHFFFAOYSA-N 282.340 -0.090 70 20 CBID C[C@@H](CO)CNS(=O)(=O)c1cn(C)c(Cl)n1 159707347 JGYDHPPTFDWOFT-ZCFIWIBFSA-N 267.738 -0.020 70 20 CBID CCCNC(=O)CN(C)C(=O)CN1CCC(C)(O)CC1 161215792 REAAWLALHUXLOT-UHFFFAOYSA-N 285.388 -0.182 70 20 CBID CC(C)NC(=O)CN(C)C(=O)[C@H]1CCNC(=O)C1 159486987 SULLNGDVKYQJQR-VIFPVBQESA-N 255.318 -0.504 70 20 CBID CS(=O)(=O)CCC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160672490 VJJJJYDNBLBEBE-NXEZZACHSA-N 288.369 -0.452 70 20 CBID CC[C@@H]1CCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 159515687 MESRPBQTLFFPBZ-GHMZBOCLSA-N 269.345 -0.066 70 20 CBID CCOCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160378318 WQGBOIDSRJWZHJ-ZJUUUORDSA-N 278.374 -0.143 70 20 CBID COCCONC(=O)c1cc(S(=O)(=O)F)c[nH]1 1349622177 FSVCHHKNEIBRDV-UHFFFAOYSA-N 266.250 -0.019 70 20 CBID NCCCNC(=O)c1nc2ncc(Br)cn2n1 160081558 PQZCEHMCZSABQD-UHFFFAOYSA-N 299.132 -0.035 70 20 CBID O=C1NCCc2ccc(S(=O)(=O)N3CC[C@@H](O)C3)cc21 161151920 JWWNXQJPRUALSA-SNVBAGLBSA-N 296.348 -0.272 70 20 CBID CN(C)CC(=O)NCc1ccc(S(N)(=O)=O)s1 218029173 YUKAMUWQOBIXAF-UHFFFAOYSA-N 277.371 -0.427 70 20 CBID Cn1cc(N2CCN(C(=O)[C@@H]3CCNC3)CC2=O)cn1 159389116 KQQBHPVYNIPFQC-SNVBAGLBSA-N 277.328 -0.795 70 20 CBID CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)C(=O)N(C)C)cn1 160754110 HCEATYQMMRUSOK-JTQLQIEISA-N 294.355 -0.040 70 20 CBID Cn1nncc1CN1CCN(C(=O)[C@@H]2CCCO2)CC1 160966568 NAOOZQCQQVHZOQ-LBPRGKRZSA-N 279.344 -0.362 70 20 CBID NC(=O)[C@@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccc(F)cc1 160777141 CMPOQWKWNZVOKI-TUAOUCFPSA-N 295.314 -0.025 70 20 CBID CC(C)C[C@H](CO)NC(=O)[C@H](C)NS(C)(=O)=O 161031776 LRPHORUVIOKFHT-DTWKUNHWSA-N 266.363 -0.553 70 20 CBID Cn1nc(C(=O)N2CCc3ncncc3C2)ccc1=O 218059037 GLHLFTXHFWLPPB-UHFFFAOYSA-N 271.280 -0.231 70 20 CBID Cn1nnc(CNC(=O)c2cccc(S(=O)(=O)F)c2)n1 1337486247 NOTNAQRNZSRXCO-UHFFFAOYSA-N 299.287 -0.202 70 20 CBID NCCCNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 160079017 ZJFKNLHXUCSQOT-UHFFFAOYSA-N 290.323 -0.455 70 20 CBID CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 160640561 KEKXLJMALRGTSN-VXGBXAGGSA-N 282.388 -0.783 70 20 CBID COCCC1(C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 161139088 HCNBNKFHPAGYLV-SECBINFHSA-N 256.302 -0.484 70 20 CBID CC(=O)NCCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1 217288892 FPPFVIXDDKZUMR-JTQLQIEISA-N 270.333 -0.569 70 20 CBID CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H](NC)C1 160807481 DAPPNEXFFDBPEZ-JTQLQIEISA-N 277.390 -0.522 70 20 CBID NC(=O)CONC(=O)CCn1cnc2ccccc21 160676249 MICWPWRJGSFDII-UHFFFAOYSA-N 262.269 -0.041 70 20 CBID CC(C)C[C@@H](CO)NC(=O)C(C)(C)NS(C)(=O)=O 160676512 DSYQQGHCLGZQEQ-VIFPVBQESA-N 280.390 -0.163 70 20 CBID CCOC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 218194012 ASMKMSXIONIIBF-JGVFFNPUSA-N 283.284 -0.861 70 20 CBID CN1CC[C@H](N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1=O 159392233 UJLMHPJPWXVKRG-OLZOCXBDSA-N 294.399 -0.369 70 20 CBID CC(C)N1CC[C@H](NC(=O)[C@@H]2CSCN2)C1=O 160036910 QCOAKWUONWIORI-IUCAKERBSA-N 257.359 -0.226 70 20 CBID N[C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 160317272 GBXIWQMHXYVBPX-SECBINFHSA-N 273.296 -0.649 70 20 CBID CNC(=O)NC(=O)Cn1cnc(C(C)C)cc1=O 160692102 CEAQCVAJZSMSHF-UHFFFAOYSA-N 252.274 -0.178 70 20 CBID CN(C)CCN(CCOCCO)S(=O)(=O)C1CC1 161300062 WNAOFDQKNRUFEV-UHFFFAOYSA-N 280.390 -0.649 70 20 CBID COCCOCCCNC(=O)c1ccc(=O)[nH]n1 218690800 HDWIGFWEWOUCNN-UHFFFAOYSA-N 255.274 -0.447 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 159784975 SUCUOUDGWXRXIB-GMTAPVOTSA-N 293.323 -0.390 70 20 CBID C[C@H]1COCCN1C(=O)NC[C@@H]1CCCS1(=O)=O 159785424 AQJHJLYAWOTFGG-UWVGGRQHSA-N 276.358 -0.006 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)C[C@@H]3CCCN3)C2=O)cn1 159613899 OUUADRAHRJDNQQ-CMPLNLGQSA-N 291.355 -0.216 70 20 CBID COCCOCC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160624441 FKQUMIJAOZGPRN-GHMZBOCLSA-N 270.329 -0.224 70 20 CBID COC[C@@H](O)CCNC(=O)c1nc2nc(C)cc(C)n2n1 161268761 XPBNWQYWLFMFGO-JTQLQIEISA-N 293.327 -0.132 70 20 CBID C[C@@]1(C(=O)N2CCC[C@H](C(=O)NCCN)C2)CCCNC1 161273242 YPXCXQCSUUQNCY-SWLSCSKDSA-N 296.415 -0.310 70 20 CBID COC[C@H](N)C(=O)NCCNC(=O)c1ccc(C)cc1 159373755 UGLYZZIQFRABEY-LBPRGKRZSA-N 279.340 -0.185 70 20 CBID CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CNC(=O)C1 160144798 CDQREWLXLUQZMH-GFCCVEGCSA-N 297.399 -0.061 70 20 CBID CS(=O)(=O)NCCSCCN1CCOCC1 159774117 ICNPNYDNOPSSDW-UHFFFAOYSA-N 268.404 -0.399 70 20 CBID CCOC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 159819511 NXXGAKZOCDFCGR-UHFFFAOYSA-N 292.339 -0.134 70 20 CBID COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CN1CCCCC1 159957795 CEGBDEQHUGINSF-SDDRHHMPSA-N 284.356 -0.242 70 20 CBID NC(=O)[C@@H](NC[C@H]1CC[C@H](C(N)=O)O1)c1ccccc1 160785662 MJIXLVRZFPCHMV-UTUOFQBUSA-N 277.324 -0.165 70 20 CBID COC[C@H](O)CCNC(=O)CNC(=O)c1ccccc1 161025102 MOKAXEXEGHRJGZ-GFCCVEGCSA-N 280.324 -0.070 70 20 CBID CNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1121184251 BEKDACFGRWPPBL-YFKPBYRVSA-N 277.277 -0.463 70 20 CBID C[C@H](NC(N)=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160637832 PZVYPNAMVLHDPY-DJLDLDEBSA-N 268.317 -0.830 70 20 CBID CC[C@H]1C(=O)NCCN1c1cc(COC)nc2ncnn12 160415979 DMYYGHVGEAPCJZ-JTQLQIEISA-N 290.327 -0.015 70 20 CBID O=C1CN(Cc2cnc(N3CCOCC3)s2)CCN1 160488746 SPMKSLKNCKFFAL-UHFFFAOYSA-N 282.369 -0.089 70 20 CBID CCS(=O)(=O)NCC(=O)N[C@H](CO)CC(C)C 161019810 RDKBDDLVMXENQP-VIFPVBQESA-N 266.363 -0.551 70 20 CBID CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(CN)CCCC2)C1 159394926 QLTPURKXKDPKEO-SNVBAGLBSA-N 289.401 -0.344 70 20 CBID O=C(NCCNC[C@H](O)COC[C@@H]1CCCO1)C1CC1 160742838 PWZGCSXMLLJLSS-STQMWFEESA-N 286.372 -0.341 70 20 CBID O=C(NCCO)[C@H]1COCC(=O)N1Cc1ccccc1 159385862 DNXKNJHXDRTLLH-GFCCVEGCSA-N 278.308 -0.478 70 20 CBID CNC[C@H]1CCCN1C(=O)CN1CSCC1=O 161364591 MDEJOPFWOXNGAN-SECBINFHSA-N 257.359 -0.270 70 20 CBID O=C1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1 1519745825 PVHUQKXQTAWTQM-RXMQYKEDSA-N 275.261 -0.709 70 20 CBID CNC(=O)[C@@H](C)NC(=O)c1cnc2c(c1)ncn2C 160188175 DJZWRVMPPWXMLO-SSDOTTSWSA-N 261.285 -0.167 70 20 CBID N#Cc1c(-c2nn[nH]n2)ncn1CCS(=O)(=O)F 1592683889 FJVKALATPHMOTP-UHFFFAOYSA-N 271.237 -0.766 70 20 CBID COC[C@@H](O)CNC(=O)Cn1c(=O)cnc2ccccc21 159503444 FXZNZYFTFMZRIY-JTQLQIEISA-N 291.307 -0.480 70 20 CBID COC[C@@]1(C)NC(=O)N(CCS(=O)(=O)F)C1=O 883953461 WPADNRPROQXZPF-MRVPVSSYSA-N 268.266 -0.757 70 20 CBID CN[C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 160785569 HGIONTQJRBOGTG-JTQLQIEISA-N 275.312 -0.684 70 20 CBID CN1CCN(CCNC(=O)[C@@H]2CCCCO2)CC1 161176846 ROASGYNAVQKJDM-LBPRGKRZSA-N 255.362 -0.081 70 20 CBID CN1C[C@@H](NC(=O)NCCn2cccn2)CCC1=O 160039405 HUMXYLCVSCWZDK-JTQLQIEISA-N 265.317 -0.197 70 20 CBID CC[C@H](C)NC(=O)CN1CCN(Cc2nncn2C)CC1 160756222 MHAHYXYXURUSKQ-LBPRGKRZSA-N 294.403 -0.153 70 20 CBID COCC(=O)N(C)CC(=O)N[C@@H](CO)CC(C)C 161108708 TYIFBWQMQIYITB-SNVBAGLBSA-N 260.334 -0.386 70 20 CBID CC[C@@H](COC)NS(=O)(=O)N(C)CCOC 160323895 YMTHXYLVBJMZNX-VIFPVBQESA-N 254.352 -0.176 70 20 CBID COCCNCC(=O)N[C@H]1CCCC[C@@H]1C(N)=O 160872551 ZDODXKXRTLUFPH-UWVGGRQHSA-N 257.334 -0.617 70 20 CBID COC[C@H](O)CNC(=O)c1cc2c([nH]c1=O)CCCC2 159518681 TWEAGGGEVOCAFJ-SNVBAGLBSA-N 280.324 -0.009 70 20 CBID NC1(CNC(=O)Cn2ccc(=O)[nH]c2=O)CCCCC1 159747006 GJAJPRLOSANXRL-UHFFFAOYSA-N 280.328 -0.686 70 20 CBID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC(=O)N1 1520007555 UDWUYEBUHTWDIR-ZCFIWIBFSA-N 289.288 -0.367 70 20 CBID C[C@H](C(=O)NC(N)=O)N1CCN(c2ccncc2)CC1 161340116 XLJXPTJPANLLPX-SNVBAGLBSA-N 277.328 -0.213 70 20 CBID O=C(Nc1nnc2nc[nH]n12)c1cc(S(=O)(=O)F)c[nH]1 1346796377 MPMQSHWXVYOMBZ-UHFFFAOYSA-N 299.247 -0.309 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H](N)C1 161441539 XNDJABAJQKISKY-DTWKUNHWSA-N 277.390 -0.300 70 20 CBID COC[C@H](C)S(=O)(=O)NC[C@@](C)(O)CN(C)C 161467180 QHTCZRGQIZHQOD-VHSXEESVSA-N 268.379 -0.747 70 20 CBID CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1347457403 FHVLMDQNMHOBQV-UHFFFAOYSA-N 289.288 -0.413 70 20 CBID CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)OCCN2C)N(C)C 159720703 OYKXWJDXSSZHDN-GRYCIOLGSA-N 255.362 -0.132 70 20 CBID O=c1cc(-c2nn[nH]n2)ccn1CCS(=O)(=O)F 1593493464 ICMWJAYMVWQOMQ-UHFFFAOYSA-N 273.249 -0.672 70 20 CBID O=C1CSCN1CC(=O)N1C[C@@H]2CCC[C@H](C1)N2 159545173 JRGUYGHZSUOQKK-AOOOYVTPSA-N 269.370 -0.128 70 20 CBID CN(C)C(=O)NCCNC(=O)[C@]1(C(F)(F)F)CCNC1 160844614 XMOSWDJWWNJAQH-JTQLQIEISA-N 296.293 -0.084 70 20 CBID NC(=O)c1nn(CCS(=O)(=O)F)c(=O)c2ccccc12 883953277 OMTTYDGRCRSHFR-UHFFFAOYSA-N 299.283 -0.205 70 20 CBID CN(CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123568561 UPSDZUYKPDOJNN-UHFFFAOYSA-N 250.251 -0.263 70 20 CBID NS(=O)(=O)c1cnn(CC(=O)NCC2(C3CC3)CC2)c1 160030175 SUILYKJIBMBYSM-UHFFFAOYSA-N 298.368 -0.163 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1cccc(OC)c1 217702338 SGBKWTFBMZGVAR-LLVKDONJSA-N 267.281 -0.112 70 20 CBID Cn1nc(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)ccc1=O 160608208 VHOVMUBXVCMQDO-ZJUUUORDSA-N 290.323 -0.479 70 20 CBID CSCC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 160822502 FRDDKOXNEREUMW-SCZZXKLOSA-N 271.386 -0.054 70 20 CBID CC(C)[C@H](N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161142270 ZLUFEIAUYYUUTD-MNOVXSKESA-N 279.344 -0.375 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCn2cnnc2C1 1516689599 MECLPODIBDFKDV-UHFFFAOYSA-N 299.287 -0.080 70 20 CBID COCCCS(=O)(=O)NCC(=O)NCC1CC1 161148529 OLCVIYPTMFGHRV-UHFFFAOYSA-N 264.347 -0.532 70 20 CBID COC(=O)[C@@H](O)CNC(=O)COc1ccccc1OC 217695965 CWIPCSBIMBDKJA-VIFPVBQESA-N 283.280 -0.276 70 20 CBID COCCNC(=O)CN1CCN(C(=O)C2(C)CC2)CC1 159824234 LQWGVLYBRQZGAP-UHFFFAOYSA-N 283.372 -0.307 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCNC3)C2=O)cn1 161141872 KQMMTVBTCMATMX-JQWIXIFHSA-N 291.355 -0.359 70 20 CBID COC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC(=O)N1 216826442 FHKXXGHDCDPNDB-IUCAKERBSA-N 254.286 -0.181 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1csnn1 159832006 WCGCTQMEWYIEGC-MRVPVSSYSA-N 270.314 -0.598 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc[nH]n1 160625966 ZTEARERRZHDWRB-DTWKUNHWSA-N 286.357 -0.143 70 20 CBID NC(=O)[C@H]1CC[C@H](CNC(=O)NCCc2ccccn2)O1 160243655 CAVSOVDNCXHFPK-VXGBXAGGSA-N 292.339 -0.044 70 20 CBID CN1CC(=O)N(CC(=O)NCC2(N)CCCCC2)C1=O 159503486 FMGKBOKGLXRWGC-UHFFFAOYSA-N 282.344 -0.342 70 20 CBID COC[C@H](O)CCNC(=O)CN1CCCCC1=O 161088146 LFNCXRDUFHRSJR-SNVBAGLBSA-N 258.318 -0.488 70 20 CBID Cc1nn(C)c(N2CCOCC2)c1CN1CCNC(=O)C1 160513721 FUGTWSMJPIARNX-UHFFFAOYSA-N 293.371 -0.503 70 20 CBID O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CCNCC1 159379257 CEIVWHMWPMALKS-SECBINFHSA-N 263.301 -0.806 70 20 CBID CN[C@H]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 160744316 CZNUDUFDZUKXRL-JTQLQIEISA-N 296.371 -0.083 70 20 CBID CC[C@H](O)CNS(=O)(=O)NCC(F)(F)F 160742270 RMRGQCSSSAELAL-YFKPBYRVSA-N 250.242 -0.256 70 20 CBID CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nocc1C 161103601 AAVIIBBCFGHMKF-QMMMGPOBSA-N 280.284 -0.341 70 20 CBID CCN1CCN(CC(=O)N[C@@H]2CCC[C@@H](N)C2)C(=O)C1=O 161500214 IBZKYALPDTYANW-GHMZBOCLSA-N 296.371 -0.937 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc(OC)c(OC)c1 217688342 PALVGORQRZQQGJ-SECBINFHSA-N 283.280 -0.033 70 20 CBID C[C@H](CNC(=O)c1cn(CCN)nn1)N1CCCC1 161073651 GMHUPRDJSDCMIZ-SNVBAGLBSA-N 266.349 -0.549 70 20 CBID COCCCS(=O)(=O)N[C@H]1CCC(=O)N(C)C1 160058585 AYCQINILTVMVAH-VIFPVBQESA-N 264.347 -0.437 70 20 CBID C[C@@H](CO)N(C)S(=O)(=O)N1C[C@@H](C)OC[C@H]1C 161262628 JNSBHLJICRFUGY-IVZWLZJFSA-N 266.363 -0.347 70 20 CBID NC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123828172 DWDMJPJPXAXACT-MRVPVSSYSA-N 289.288 -0.237 70 20 CBID C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CC=CC1 160834963 FNUDQDAIKBRNGC-VIFPVBQESA-N 298.368 -0.078 70 20 CBID CN(C)C(=O)NCCNC(=O)c1cnc2c(c1)ncn2C 161077784 RMGXLXBHPWMBIR-UHFFFAOYSA-N 290.327 -0.031 70 20 CBID CCN1CCN(CC(=O)N[C@H]2CCC[C@@H](N)C2)C(=O)C1=O 161500317 IBZKYALPDTYANW-MNOVXSKESA-N 296.371 -0.937 70 20 CBID Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CC(O)C1 161453629 YNFKVKNQVLCJAX-ZDUSSCGKSA-N 287.323 -0.032 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1cccc(OC)c1 217702264 SGBKWTFBMZGVAR-NSHDSACASA-N 267.281 -0.112 70 20 CBID C[C@H](C(=O)NCC(F)(F)F)N(C)CCN1CCNCC1 159865443 VUPDZZJVFWARCO-SNVBAGLBSA-N 296.337 -0.110 70 20 CBID C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CSCN1 161217968 RUSADXIXVPXISA-CIUDSAMLSA-N 278.399 -0.317 70 20 CBID COCCN(C)S(=O)(=O)N[C@H]1CC[C@@H](CO)CC1 161367451 TWMXKZAZUXIWQU-XYPYZODXSA-N 280.390 -0.050 70 20 CBID CN(C)C(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217043163 YEKGKFFTRYWWNN-STQMWFEESA-N 296.415 -0.345 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cc(C(C)=O)cn1C 217731059 NBQQUKPIWAGJOJ-JTQLQIEISA-N 268.269 -0.509 70 20 CBID CC(C)[C@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O 159747998 NWKLLGYHIGHFCP-MRVPVSSYSA-N 266.363 -0.553 70 20 CBID C[C@@H](O)CN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O 159507542 LEOXFVICGINUPL-MWLCHTKSSA-N 252.318 -0.162 70 20 CBID N[C@H](CO)C(=O)N1CCN(Cc2ccccc2)CC1 216986377 MOVHUIXFEOIQPV-CYBMUJFWSA-N 263.341 -0.350 70 20 CBID CNC[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 161276244 VAWZJOQGKSQZOS-SECBINFHSA-N 263.363 -0.912 70 20 CBID COCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1521439375 YRJJFXWCINWZGF-SSDOTTSWSA-N 294.304 -0.200 70 20 CBID CC(C)N1C[C@@H](NC(=O)N2CCNCC2)CC1=O 217287844 ODHNFDNQGLPNMM-JTQLQIEISA-N 254.334 -0.390 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)N)o1 160115366 HQQVVFCZYMTGDG-UHFFFAOYSA-N 275.330 -0.345 70 20 CBID O=C1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[C@H]2N1 160587907 SEMFAZKAODGXFD-RKDXNWHRSA-N 276.296 -0.489 70 20 CBID NC(=O)[C@@H](NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 160785420 MJIXLVRZFPCHMV-TUAOUCFPSA-N 277.324 -0.165 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc(OC)cc1OC 217688922 DTDVZTDMZKNBPN-SNVBAGLBSA-N 283.280 -0.033 70 20 CBID COC[C@H](O)CCNC(=O)[C@@H](C)N1CCSCC1 160976307 GHNWYJALIPVBAC-GHMZBOCLSA-N 276.402 -0.063 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CSCN1 160092874 BGBOHXHQYRBXIN-YUMQZZPRSA-N 266.388 -0.412 70 20 CBID CCNS(=O)(=O)[C@H]1CCN(Cc2n[nH]c(CC)n2)C1 160234590 MVVPOJUAFZUJFL-VIFPVBQESA-N 287.389 -0.119 70 20 CBID COC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217024208 PHKPTKPWSOHYLX-NEPJUHHUSA-N 283.372 -0.260 70 20 CBID CCCNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1520703314 RENURGHIRSGZSJ-UHFFFAOYSA-N 291.304 -0.071 70 20 CBID N[C@@H]1CCC[C@@H](NC(=O)CN2CSCC2=O)C1 161355815 BWYMVAFHYKPGGR-RKDXNWHRSA-N 257.359 -0.095 70 20 CBID Cc1nn(C)c2c(=O)n(CCS(=O)(=O)F)ncc12 1119293195 PSNSPDVZIDMUKV-UHFFFAOYSA-N 274.277 -0.262 70 20 CBID COCCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976355 MQDXSOHDLXJYGV-UHFFFAOYSA-N 293.320 -0.361 70 20 CBID C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 160684957 YRRFHXYABQYLBF-LPEHRKFASA-N 275.374 -0.723 70 20 CBID O=C1CC[C@@H]2CN(S(=O)(=O)N3CCCC3)CC[C@@H]2N1 160725077 PZPVJYBFMCXSHD-MNOVXSKESA-N 287.385 -0.073 70 20 CBID CCS(=O)(=O)N(C)CC(=O)N[C@H](CO)CC(C)C 161231462 OGDOXDAJGSOGLD-JTQLQIEISA-N 280.390 -0.209 70 20 CBID O=C(NC1CN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1 1030971934 CNNZSDNAWFHZIZ-UHFFFAOYSA-N 291.304 -0.921 70 20 CBID CCS(=O)(=O)NCC(=O)N(C)CCCOC 160763961 NOCIFASPCXWMOC-UHFFFAOYSA-N 252.336 -0.579 70 20 CBID CN[C@@H]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c23)C1 160788993 WNYYZRZNIBPLML-SECBINFHSA-N 289.343 -0.391 70 20 CBID C[C@@H](O)CCNS(=O)(=O)NCC(F)(F)F 160692204 DXHDNDUPOFAHJF-RXMQYKEDSA-N 250.242 -0.256 70 20 CBID CSCC[C@H]1NC(=O)N(CCS(=O)(=O)F)C1=O 916622756 KNPSNVSHKWPRCF-ZCFIWIBFSA-N 284.334 -0.041 70 20 CBID C[C@H](O)CN(C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 159436904 WHSNKIXVFAUSJC-UWVGGRQHSA-N 271.361 -0.576 70 20 CBID CC(C)(C)C(=O)N1CCN(C(=O)C2(NC(N)=O)CC2)CC1 159726337 VPZGWHCMMLWNHR-UHFFFAOYSA-N 296.371 -0.096 70 20 CBID COC(=O)Cn1cc(CCN(C)[C@H]2CCOC2)nn1 160065492 UVJWHGLYYWIWEC-NSHDSACASA-N 268.317 -0.286 70 20 CBID COCCN(CCO)C(=O)c1ccc(OCC(N)=O)cc1 160652807 AQSMSDIEKPUBCL-UHFFFAOYSA-N 296.323 -0.368 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1ccn(C)c1 159806533 BUDVPAFZQZSNIU-NSHDSACASA-N 265.313 -0.111 70 20 CBID CN(C)C(=O)CNC(=O)CCCNC(=O)c1cccnc1 160099466 FFSMBFZAAUEVJZ-UHFFFAOYSA-N 292.339 -0.204 70 20 CBID COCCNCC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160223851 DCMIZFWMNIJBQD-MNOVXSKESA-N 269.345 -0.651 70 20 CBID Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)[nH]n1 159686767 FPMJZGBENAOFRC-GHMZBOCLSA-N 250.302 -0.127 70 20 CBID COCCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160359366 JPENQOXMOGREKS-UWVGGRQHSA-N 278.374 -0.143 70 20 CBID CN(C)C1(CNC(=O)c2cn(CCN)nn2)CCCC1 160842968 BHHSQWLSODYVRU-UHFFFAOYSA-N 280.376 -0.159 70 20 CBID CNC[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O 161276130 VAWZJOQGKSQZOS-VIFPVBQESA-N 263.363 -0.912 70 20 CBID C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CNCCO1 159749753 HAXLQEAONPOZHG-GUBZILKMSA-N 276.358 -0.991 70 20 CBID CN1C[C@H](NC(=O)NCCn2cccn2)CCC1=O 160039280 HUMXYLCVSCWZDK-SNVBAGLBSA-N 265.317 -0.197 70 20 CBID O=C(NCCO)[C@@H]1CSCN1C(=O)C1CCC1 159435213 MOXTXIZFWBALKI-VIFPVBQESA-N 258.343 -0.204 70 20 CBID COC[C@@H](O)CNC(=O)c1cnc2cc(C)ccn2c1=O 159482992 ZUXIPRUUQBKVRF-JTQLQIEISA-N 291.307 -0.260 70 20 CBID COCCn1nc(C(=O)N2CCC(C)(O)CC2)ccc1=O 161238976 DONSOUZWFUQPOT-UHFFFAOYSA-N 295.339 -0.123 70 20 CBID CN1CCN(CCNC(=O)[C@H]2CCCCO2)CC1 161176993 ROASGYNAVQKJDM-GFCCVEGCSA-N 255.362 -0.081 70 20 CBID O=C([C@H]1CCC[C@H](C(=O)N2CC(O)C2)C1)N1CC(O)C1 161431461 SHCRJFGFMJLZHO-UWVGGRQHSA-N 282.340 -0.801 70 20 CBID COC[C@@H](N)C(=O)NC[C@@H](CC(C)C)N1CCOCC1 159411574 DBEFPBZKARIGOL-CHWSQXEVSA-N 287.404 -0.177 70 20 CBID CN(C)S(=O)(=O)NC[C@@H](O)COc1ccc(F)cc1 159979152 KPPPXYMSTHDCPS-SNVBAGLBSA-N 292.332 -0.039 70 20 CBID COC[C@@H](O)CCNC(=O)c1ccc2[nH]c(=O)n(C)c2c1 161487773 PYAAPFOQVGWGJI-JTQLQIEISA-N 293.323 -0.006 70 20 CBID Nc1ccnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1521206667 OQAZIAKVKIPDEM-UHFFFAOYSA-N 299.287 -0.025 70 20 CBID Cc1ccc(C(=O)NCCC(=O)NCCO)c(O)c1 159434120 RFUIHXIUDMDUEP-UHFFFAOYSA-N 266.297 -0.071 70 20 CBID COC[C@@H](O)CCNC(=O)[C@H](C)N1CCSCC1 160975926 GHNWYJALIPVBAC-QWRGUYRKSA-N 276.402 -0.063 70 20 CBID COC(=O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263697072 KKMYKOPNGNHVRV-UHFFFAOYSA-N 278.261 -0.082 70 20 CBID COC(=O)CNC(=O)CN(C)C[C@@H]1CCC[C@@H]1O 159838800 OTZPNXCQDNPEAO-UWVGGRQHSA-N 258.318 -0.632 70 20 CBID CCN(CCCO)C(=O)Cn1nc2ccccn2c1=O 160481490 YOEJLUULYBRLLN-UHFFFAOYSA-N 278.312 -0.273 70 20 CBID CCC(=O)N1CC[C@H](C(=O)N2CCNC(=O)[C@@H]2C)C1 161476531 LHTPWXFXPRHESV-UWVGGRQHSA-N 267.329 -0.408 70 20 CBID COCCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O 159753761 CPSNDJQMNNVMCA-UPJWGTAASA-N 295.383 -0.166 70 20 CBID Cc1nnc2c(NCCCNS(C)(=O)=O)nccn12 218048753 GVIKEDOVZGVFHA-UHFFFAOYSA-N 284.345 -0.216 70 20 CBID COC(=O)[C@@H](C)CN(C)C(=O)CN1CCC(=O)NC1=O 218175935 RESJPQQUUBCYOZ-QMMMGPOBSA-N 285.300 -0.804 70 20 CBID CCc1nn(CCS(=O)(=O)Cl)c(=O)n1C 536958545 GUQLWXOMDONBFO-UHFFFAOYSA-N 253.711 -0.287 70 20 CBID CC(C)(N)CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 160006362 DRHGDZBQSCTIAO-MRVPVSSYSA-N 265.317 -0.384 70 20 CBID CN(C)C[C@@](C)(O)CNC(=O)CS(=O)(=O)C(C)(C)C 160101252 MDPMKFXABUZMLE-LBPRGKRZSA-N 294.417 -0.372 70 20 CBID CN1CC[C@H](NS(=O)(=O)C[C@@H]2CCCO2)C1=O 160469564 LIUFLQCFFFKYRP-IUCAKERBSA-N 262.331 -0.685 70 20 CBID CCNC(=O)NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O 159673079 ICGZPHHZDLNISB-UWVGGRQHSA-N 257.334 -0.075 70 20 CBID CN(C)C[C@](C)(O)CNS(=O)(=O)CC[C@@H]1CCCO1 161445587 XIKINRMEDWWVNK-NWDGAFQWSA-N 294.417 -0.213 70 20 CBID CC(=O)NCCNC(=O)NCCNC(=O)OC(C)(C)C 217263815 XFLNPBWNXZTAJZ-UHFFFAOYSA-N 288.348 -0.054 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CCNC(=O)c1ccco1 217686334 SFMQKRSJSRVLFQ-QMMMGPOBSA-N 284.268 -0.950 70 20 CBID CCN1CCCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 159986983 FMCUHVINUPBPFS-VXGBXAGGSA-N 298.387 -0.244 70 20 CBID COCCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160359599 JPENQOXMOGREKS-VHSXEESVSA-N 278.374 -0.143 70 20 CBID O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1C[C@@H](O)CN1 217906285 AGFOJPXEEAEOKS-UTUOFQBUSA-N 291.355 -0.716 70 20 CBID CCN(C)S(=O)(=O)N(C)CCCC(=O)NC 159411208 ZTQUTRXKYFACQP-UHFFFAOYSA-N 251.352 -0.359 70 20 CBID CC(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n(C)c1 161041762 HPXWENZTURAAKF-JQWIXIFHSA-N 293.323 -0.010 70 20 CBID O=C1CC[C@@H]2CN(CCN3CCNCC3)CC[C@@H]2N1 160332012 FRFPANJXSCXQEX-OLZOCXBDSA-N 266.389 -0.508 70 20 CBID COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CCN(CCO)CC1 160729175 GNZQPUDBEHAFOS-NWDGAFQWSA-N 284.356 -0.384 70 20 CBID O=C(NC1(CO)CC1)c1cnc2ccccn2c1=O 159832161 GTTOHXJDXBDTOJ-UHFFFAOYSA-N 259.265 -0.051 70 20 CBID CC[C@H](CO)NS(=O)(=O)NCC(F)(F)F 160656570 LJTOULCXDZXBOK-RXMQYKEDSA-N 250.242 -0.256 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1cc[nH]n1 159841017 FVZKSWYUIKRADD-SECBINFHSA-N 252.274 -0.727 70 20 CBID CCNC(=O)NC(=O)Cn1c(-c2cccnc2)noc1=O 161307473 QUUGEJSOKMRALE-UHFFFAOYSA-N 291.267 -0.256 70 20 CBID COC(=O)[C@H](O)CNC(=O)COc1ccc(F)cc1F 217667502 RILZYDJCDDJEBI-SECBINFHSA-N 289.234 -0.006 70 20 CBID CSC[C@@](C)(O)CNC(=O)CN1C(=O)CN(C)C1=O 217677947 SAVPLQIUYWSXKR-NSHDSACASA-N 289.357 -0.889 70 20 CBID COC(=O)[C@H](C)CN(C)C(=O)CN1CCC(=O)NC1=O 218176008 RESJPQQUUBCYOZ-MRVPVSSYSA-N 285.300 -0.804 70 20 CBID CN1CC[C@H](NS(=O)(=O)C[C@@H]2CCCCO2)C1=O 160472579 WCLQUBNUUQSAHD-UWVGGRQHSA-N 276.358 -0.294 70 20 CBID O=C(NCC#CCO)c1cc(S(=O)(=O)F)c[nH]1 1123828906 KHTCOERIACYMAS-UHFFFAOYSA-N 260.246 -0.602 70 20 CBID COC[C@@H](O)CNC(=O)CNC(=O)Cc1ccccc1 159542382 ZGAPYBZYIBIRGA-LBPRGKRZSA-N 280.324 -0.531 70 20 CBID CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N 160051551 VBRUCLVRUMENQQ-BDAKNGLRSA-N 279.406 -0.196 70 20 CBID C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(O)C1 161494014 ZZQPJICYEQPIBO-SSDOTTSWSA-N 290.366 -0.382 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cc(OC)ccc1OC 217677793 SBGFVFWXURNRPS-JTQLQIEISA-N 283.280 -0.033 70 20 CBID COC[C@@H](O)CNC(=O)CCNC(=O)Cc1ccccc1 159477109 PVKCGDIQLJBMBF-ZDUSSCGKSA-N 294.351 -0.141 70 20 CBID C[C@H]1[C@@H](C)N(C(=O)[C@@H]2CNCCO2)CCS1(=O)=O 159749604 HAXLQEAONPOZHG-UTLUCORTSA-N 276.358 -0.991 70 20 CBID NC(=O)c1nn(CCS(=O)(=O)F)cc1[N+](=O)[O-] 1336946483 IHMKBJKRYINMNU-UHFFFAOYSA-N 266.210 -0.811 70 20 CBID CNC(=O)CN1CCC(NC(=O)[C@H]2CCCCO2)CC1 161423945 VSBDZXHGNHBYKX-GFCCVEGCSA-N 283.372 -0.118 70 20 CBID CN(C)C(=O)c1ccc(=O)n(CCS(=O)(=O)F)c1 1330855862 KZGKHQNAWNMVCQ-UHFFFAOYSA-N 276.289 -0.151 70 20 CBID Nc1nccnc1C(=O)NCC1CCN(CCO)CC1 160706955 WIWAZXXUAIRMIK-UHFFFAOYSA-N 279.344 -0.507 70 20 CBID C[C@H]1COCCN1C(=O)NC[C@H]1CCCS1(=O)=O 159785697 AQJHJLYAWOTFGG-VHSXEESVSA-N 276.358 -0.006 70 20 CBID Cn1cc(N2CC[C@@H](N3CCC4(C3)OCCO4)C2=O)cn1 160694592 QGANOPUEJJZXSX-GFCCVEGCSA-N 292.339 -0.026 70 20 CBID CNC(=O)CCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263716901 QNJWNTBTCYPVFZ-UHFFFAOYSA-N 291.304 -0.119 70 20 CBID O=C1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CN1 1338811305 BYKBSDBNJYMUEO-LURJTMIESA-N 289.288 -0.461 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@H](O)[C@@H](CO)C1 1346795388 DRFQANVZSWZQRQ-MUWHJKNJSA-N 292.288 -0.902 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCCNC1 160094874 JLNBJEWESVBUIN-ZJUUUORDSA-N 262.375 -0.075 70 20 CBID NC(=O)[C@@H]1CN(C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)CCO1 160116018 PUBVEOKFNPWCSC-LADJIXMOSA-N 279.340 -0.073 70 20 CBID C[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123742699 KNCIUJHPNHIQAH-YFKPBYRVSA-N 250.251 -0.217 70 20 CBID O=C(NN1CCCNC1=O)c1cc(S(=O)(=O)F)c[nH]1 1521207437 XFPCFVLIAMYITI-UHFFFAOYSA-N 290.276 -0.267 70 20 CBID CCC(N)(CC)CNC(=O)CN1C(=O)NC(C)(C)C1=O 160526568 NQKPLYHBBVTOBS-UHFFFAOYSA-N 284.360 -0.050 70 20 CBID CC(C)N1C[C@@H](NC(=O)NCCN(C)C)CC1=O 217288773 DIEYFWFJZBBHIX-JTQLQIEISA-N 256.350 -0.144 70 20 CBID C[C@H](CNS(=O)(=O)N(C)C)CN1CCOCC1 160393027 IYXWQWFILXBYRO-SNVBAGLBSA-N 265.379 -0.649 70 20 CBID O=C(N[C@@H]1CC[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1520633117 UHWXQHKTTZNVKA-HTRCEHHLSA-N 262.262 -0.074 70 20 CBID CC(C)[C@@H](C(=O)NCCN1C(=O)CNC1=O)N(C)C 159704360 HDEOIGOIVMBGSC-JTQLQIEISA-N 270.333 -0.759 70 20 CBID COC(=O)[C@H](O)CNC(=O)CCCNC(=O)C(C)(C)C 217736017 HCXKAURQZZQIDG-SECBINFHSA-N 288.344 -0.421 70 20 CBID COC[C@H](N)C(=O)NC[C@@H](CC(C)C)N1CCOCC1 159411836 DBEFPBZKARIGOL-OLZOCXBDSA-N 287.404 -0.177 70 20 CBID CNC(=O)C(C)(C)CNc1ncc(S(N)(=O)=O)s1 161062533 KMRZEVMMGOSHQN-UHFFFAOYSA-N 292.386 -0.025 70 20 CBID CCCCOC(=O)[C@@H](C)N1CCO[C@H](C(N)=O)C1 159899508 OCUCHYTVTROQDC-ZJUUUORDSA-N 258.318 -0.096 70 20 CBID CC(C)c1cc(=O)n(CC(=O)N[C@H](C)C(=O)N(C)C)cn1 160754246 HCEATYQMMRUSOK-SNVBAGLBSA-N 294.355 -0.040 70 20 CBID COC[C@@H](O)CCNC(=O)CNC(=O)c1ccccc1 161025224 MOKAXEXEGHRJGZ-LBPRGKRZSA-N 280.324 -0.070 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cccc2c1OCCO2 217705115 UGBUDICIVPZPKL-SECBINFHSA-N 281.264 -0.279 70 20 CBID C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123567943 MZXNJSUFIZRZLF-YFKPBYRVSA-N 250.251 -0.217 70 20 CBID CNC(=O)CNC(=O)c1cccc(S(=O)(=O)F)c1 1354032225 RQBRGJXVTZQJTM-UHFFFAOYSA-N 274.273 -0.179 70 20 CBID N[C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 160314548 MIQUDPDEBUQLHV-SNVBAGLBSA-N 279.344 -0.669 70 20 CBID CN1CC[C@@H](NS(=O)(=O)C[C@H]2CCCCO2)C1=O 160472927 WCLQUBNUUQSAHD-NXEZZACHSA-N 276.358 -0.294 70 20 CBID CCNC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 217307198 NCZOZHPYCXXJFI-SECBINFHSA-N 264.347 -0.149 70 20 CBID CC(C)(N)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O 160035650 XLNKWPSYYQLIFG-VIFPVBQESA-N 277.390 -0.346 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cccc2c1OCCO2 217705030 UGBUDICIVPZPKL-VIFPVBQESA-N 281.264 -0.279 70 20 CBID O=C1CNC(=O)N1CCN1CCC(OCCO)CC1 160429553 ALQGDOZNCWAGRJ-UHFFFAOYSA-N 271.317 -0.989 70 20 CBID C[C@@H](CO)N(C)S(=O)(=O)NCC(F)(F)F 160736356 VRGLUXCEFXVOLY-YFKPBYRVSA-N 250.242 -0.304 70 20 CBID O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@@H](O)CN1 217906456 AGFOJPXEEAEOKS-IJLUTSLNSA-N 291.355 -0.716 70 20 CBID NC(=O)CC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346848165 HCAFNFNYILCVNF-UHFFFAOYSA-N 289.288 -0.380 70 20 CBID CC(=O)N1CC[C@@H](NC(=O)COC[C@H]2CCCO2)C1 159545270 XWRMDQWTZYFIIO-VXGBXAGGSA-N 270.329 -0.081 70 20 CBID O=C1CC[C@H]2CN(CCN3CCNCC3)CC[C@H]2N1 160331875 FRFPANJXSCXQEX-QWHCGFSZSA-N 266.389 -0.508 70 20 CBID CC(C)CS(=O)(=O)CC(=O)NC[C@@H](C)CO 160484057 BUPPGHMIKFOOND-SECBINFHSA-N 251.348 -0.198 70 20 CBID CC(C)NCCC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 161023770 OGPTXJPASWVRTO-UHFFFAOYSA-N 293.371 -0.017 70 20 CBID CCOCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160378232 WQGBOIDSRJWZHJ-UWVGGRQHSA-N 278.374 -0.143 70 20 CBID Cn1c(C(=O)NCC(C)(C)C(N)=O)cccc1=O 159993379 PXQZYAAYMWSGOR-UHFFFAOYSA-N 251.286 -0.373 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CSCC3=O)CC[C@H]2N1 160664137 XHYXXEDQVXCOIR-NXEZZACHSA-N 297.380 -0.354 70 20 CBID Cc1cc(-c2nn[nH]n2)c(=O)n(CCS(=O)(=O)F)c1 1605510817 JFCLPHFLHLFIGN-UHFFFAOYSA-N 287.276 -0.364 70 20 CBID CCN1CCCN(C(=O)NCCNS(C)(=O)=O)CC1 159589117 DHJASBLGRHWAQP-UHFFFAOYSA-N 292.405 -0.727 70 20 CBID COCCN1CCN(C(=O)c2ccc(OC)nn2)CC1 160040242 UENXYXAFWQNTBP-UHFFFAOYSA-N 280.328 -0.111 70 20 CBID O=C(NC1CC1)C(=O)N1CCN(CCn2ccnc2)CC1 159751909 YAYRCJNIQHUTTC-UHFFFAOYSA-N 291.355 -0.694 70 20 CBID O=C(NCC1CCN(CCO)CC1)[C@H]1CCCO1 160653820 SQWMKQVWBBRONE-GFCCVEGCSA-N 256.346 -0.014 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]nn1 160564994 GJQHGNARQZKCMK-JGVFFNPUSA-N 287.345 -0.748 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc(CNC(C)=O)cc1 217710803 UCCXKMBCMJAUGQ-GFCCVEGCSA-N 294.307 -0.414 70 20 CBID COC(=O)[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 217720968 QLTQMULOVJUCMF-KOLCDFICSA-N 265.265 -0.360 70 20 CBID CCCN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 160377371 OTFCCTQOYWDJJC-UHFFFAOYSA-N 298.387 -0.817 70 20 CBID CN1CC[C@H](NS(=O)(=O)C[C@H]2CCCO2)C1=O 160469838 LIUFLQCFFFKYRP-BDAKNGLRSA-N 262.331 -0.685 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)NC[C@H](O)C(C)(C)C 159661095 YPXCPVUXPDOOGO-QMMMGPOBSA-N 280.390 -0.163 70 20 CBID CN(C)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1 160857448 MTNCZQXJDOACSM-LBPRGKRZSA-N 278.356 -0.056 70 20 CBID COCCN1C[C@H](C(=O)N2CCC(C)(O)CC2)CC1=O 161309886 QJKSMRCUPBIBNM-LLVKDONJSA-N 284.356 -0.145 70 20 CBID CCOC(=O)CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 218198732 UATKOTDOMSCRCD-QMMMGPOBSA-N 283.284 -0.861 70 20 CBID O=C(O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1601845631 AHGAATFOJLOGIX-UHFFFAOYSA-N 276.245 -0.171 70 20 CBID O=C(C[C@@H]1NC(=O)NC1=O)NCCN1CCCCCC1 159867536 ABLRKEALSSLPTC-JTQLQIEISA-N 282.344 -0.423 70 20 CBID O=C1CC[C@@H]2CN(C(=O)[C@@H]3CNCCO3)CC[C@H]2N1 160217084 VWPFFFXCUOXBFT-MXWKQRLJSA-N 267.329 -0.898 70 20 CBID O=C(N[C@@H](CF)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1608398346 FDUGAPFFFALKPY-LURJTMIESA-N 282.224 -0.175 70 20 CBID O=C(NCCCc1nc(=O)[nH][nH]1)[C@H]1CCCCO1 159843513 UFLLRBVACIMSSL-MRVPVSSYSA-N 254.290 -0.284 70 20 CBID CC(C)(N)CNC(=O)[C@H]1CCCCN1S(C)(=O)=O 160035735 XLNKWPSYYQLIFG-SECBINFHSA-N 277.390 -0.346 70 20 CBID COCCCS(=O)(=O)N[C@@H]1CCC(=O)N(C)C1 160058434 AYCQINILTVMVAH-SECBINFHSA-N 264.347 -0.437 70 20 CBID COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CNCCO1 160577401 MYFCJOIBXPZNRV-UTLUCORTSA-N 256.302 -0.567 70 20 CBID CC(C)CN(CC(N)=O)C(=O)C1=NN(C)C(=O)CC1 159759891 XGXKOLGUEGXXAD-UHFFFAOYSA-N 268.317 -0.436 70 20 CBID CCn1cc(S(=O)(=O)NC[C@@]2(O)CCOC2)nc1C 218092443 RWUGBUNMPJDFSP-NSHDSACASA-N 289.357 -0.359 70 20 CBID COC[C@H](O)CNS(=O)(=O)c1c(C)nn(C)c1Cl 160912247 FTJATJYXNNCQKA-SSDOTTSWSA-N 297.764 -0.332 70 20 CBID CCn1ncc2ncn(CCS(=O)(=O)F)c(=O)c21 883954061 XQGHZCIVBQTEOJ-UHFFFAOYSA-N 274.277 -0.088 70 20 CBID CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N(C)C 160080486 CEQRCVZRUUILPP-NSHDSACASA-N 291.417 -0.324 70 20 CBID CN(C)CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217039322 HHRVFNLOUYOUID-STQMWFEESA-N 296.415 -0.345 70 20 CBID CC(C)C[C@H](CO)NC(=O)[C@@H](C)NS(C)(=O)=O 161031533 LRPHORUVIOKFHT-RKDXNWHRSA-N 266.363 -0.553 70 20 CBID CCOCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160724670 MNPPITIGYFQFOK-GHMZBOCLSA-N 290.385 -0.047 70 20 CBID NC(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348647642 UGWSSSAYOLKSTR-UHFFFAOYSA-N 263.250 -0.722 70 20 CBID C[C@H]1OCC[C@@H]1NC(=O)NCCN1CCOCC1 160607864 UICRZNKNSXFBAY-MNOVXSKESA-N 257.334 -0.205 70 20 CBID CC(=O)NCCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1 217288890 FPPFVIXDDKZUMR-SNVBAGLBSA-N 270.333 -0.569 70 20 CBID CN1CC[C@@H](NS(=O)(=O)C[C@H]2CCCO2)C1=O 160469952 LIUFLQCFFFKYRP-RKDXNWHRSA-N 262.331 -0.685 70 20 CBID NC(=O)CONC(=O)/C=C/c1ccc2c(c1)OCO2 160677832 UVLHRYSENRMFSP-DUXPYHPUSA-N 264.237 -0.038 70 20 CBID CC[C@@H](CCO)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 159425380 GSNAUVRZKKNUOR-MNOVXSKESA-N 272.345 -0.242 70 20 CBID COC(=O)[C@@H](O)CNC(=O)COc1ccc(F)cc1F 217667461 RILZYDJCDDJEBI-VIFPVBQESA-N 289.234 -0.006 70 20 CBID O=C1[C@@H]2CSCN2C(=O)N1CCS(=O)(=O)F 883954002 VMOACAPLBFEZIK-YFKPBYRVSA-N 268.291 -0.377 70 20 CBID CCN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1755639662 VWHZJQXLJUDVIF-ZETCQYMHSA-N 293.320 -0.627 70 20 CBID CC(=O)N1CC[C@H](NC(=O)COC[C@@H]2CCCO2)C1 159544832 XWRMDQWTZYFIIO-RYUDHWBXSA-N 270.329 -0.081 70 20 CBID O=C(NCC(=O)N1CC(O)C1)NC1CCCCC1 161441148 OANMOVAWZGNJQV-UHFFFAOYSA-N 255.318 -0.179 70 20 CBID CCC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)COC 159467508 XDJZJVMATVOYMQ-GHMZBOCLSA-N 272.345 -0.099 70 20 CBID CC(C)C[C@H](CO)NC(=O)C(C)(C)NS(C)(=O)=O 160676640 DSYQQGHCLGZQEQ-SECBINFHSA-N 280.390 -0.163 70 20 CBID CC(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 161088926 WVERLWBQPLMASL-STQMWFEESA-N 299.415 -0.080 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@H](C)NC(=O)C(C)(C)C 217681593 NOWAFOVDJXFWAL-YUMQZZPRSA-N 274.317 -0.813 70 20 CBID CCCN1C(=O)C(=O)N(CCS(=O)(=O)F)C1=O 883954003 VMTARXHUGYBCFO-UHFFFAOYSA-N 266.250 -0.514 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)NCC1(C2CC2)CC1 159818595 RZYOUVHQTBBWRF-UHFFFAOYSA-N 263.297 -0.157 70 20 CBID CN1CC(=O)N(CC(=O)NCC2(CO)CCCC2)C1=O 160272382 WNBFFGOIHFMUSE-UHFFFAOYSA-N 283.328 -0.451 70 20 CBID C[C@@H](C(=O)NC(N)=O)N1CCN(Cc2ccncc2)CC1 161189249 YLHSIICDAQRRKK-NSHDSACASA-N 291.355 -0.217 70 20 CBID COCCCS(=O)(=O)NCCN1CCCC[C@@H]1CO 159926660 IIPQWLNXAWMILJ-GFCCVEGCSA-N 294.417 -0.211 70 20 CBID COC[C@H](C)S(=O)(=O)NC[C@@H](C)CN1CCOCC1 160404029 YGMPRMRTLVEFNE-NEPJUHHUSA-N 294.417 -0.091 70 20 CBID CO[C@@H]1COC[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1340629188 GQHFTCGNSPOGNJ-RKDXNWHRSA-N 292.288 -0.184 70 20 CBID CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CSCN1 160056704 HQBDEXIQDTYGRM-MRVPVSSYSA-N 280.415 -0.022 70 20 CBID NC(=O)COCCNC(=O)c1ncn(-c2ccccc2)n1 160062210 AVAVUJWRFPZXER-UHFFFAOYSA-N 289.295 -0.501 70 20 CBID CN1CC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C1=O 159625485 ZPQLLOWTSFNFOD-NEPJUHHUSA-N 261.325 -0.097 70 20 CBID C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CNCCO1 159749905 HAXLQEAONPOZHG-BBBLOLIVSA-N 276.358 -0.991 70 20 CBID COCCN(C)S(=O)(=O)N(C)C[C@H](O)C1CC1 161460097 QCRZJSDINSRKHM-JTQLQIEISA-N 266.363 -0.488 70 20 CBID Cn1cnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1521206515 ONSDRROZRHWQKE-UHFFFAOYSA-N 287.276 -0.269 70 20 CBID C[C@]1(CCC(=O)O)NC(=O)N(CCS(=O)(=O)F)C1=O 1604570398 CSNVVSLTLDGAOB-SECBINFHSA-N 296.276 -0.539 70 20 CBID C[C@H](CO)N(C)C(=O)CCC(=O)N1CCOCC1 160538905 XFWDHOIKQYLRLA-SNVBAGLBSA-N 258.318 -0.535 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)C[C@@H]3CCCN3)C2=O)cn1 159613744 OUUADRAHRJDNQQ-JQWIXIFHSA-N 291.355 -0.216 70 20 CBID O=C(NCc1ccccc1OCCO)[C@H]1CNCCO1 159810885 GXUCMUBMVYAUED-CYBMUJFWSA-N 280.324 -0.338 70 20 CBID O=C(NCCCc1nc(=O)[nH][nH]1)[C@@H]1CCCCO1 159843383 UFLLRBVACIMSSL-QMMMGPOBSA-N 254.290 -0.284 70 20 CBID COC(=O)CNC(=O)Cn1cnc(C(C)C)cc1=O 160828611 VFGCQQRVDIOOGE-UHFFFAOYSA-N 267.285 -0.344 70 20 CBID CN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O 1346291328 RDQJMIOQESKZJU-LURJTMIESA-N 289.288 -0.367 70 20 CBID Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)CN(C)C 161479791 YAFVIKMJSBDZJK-LLVKDONJSA-N 291.373 -0.118 70 20 CBID CCn1ncc2c(=O)n(CCS(=O)(=O)F)cnc21 883953790 KYZBHXNRQHYJOE-UHFFFAOYSA-N 274.277 -0.088 70 20 CBID CC(=O)N1CC[C@H](NC(=O)COC[C@H]2CCCO2)C1 159545114 XWRMDQWTZYFIIO-NWDGAFQWSA-N 270.329 -0.081 70 20 CBID COC[C@H](C)S(=O)(=O)NC[C@](C)(O)CN(C)C 161466941 QHTCZRGQIZHQOD-UWVGGRQHSA-N 268.379 -0.747 70 20 CBID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 159672631 KZJLFZWXSZULLT-JQWIXIFHSA-N 293.323 -0.449 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCC[C@H]2OCC[C@H]12 159785104 SUCUOUDGWXRXIB-OUAUKWLOSA-N 293.323 -0.390 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1csc(NC(C)=O)n1 217709573 CQGPZPQHNLWREH-ZETCQYMHSA-N 287.297 -0.635 70 20 CBID COCCS(=O)(=O)NC[C@H](C)CN1CCOCC1 160394525 HDFJJUGFRKNMDF-NSHDSACASA-N 280.390 -0.480 70 20 CBID CC(C)[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N(C)C 160152643 CEQRCVZRUUILPP-LLVKDONJSA-N 291.417 -0.324 70 20 CBID C[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1527565920 OJCKMSSXVZNQGR-LURJTMIESA-N 289.288 -0.367 70 20 CBID COC[C@@H](O)CNC(=O)[C@@H](C(C)C)N1CCCC1=O 159529767 HPZLRSIFGTWCPR-CMPLNLGQSA-N 272.345 -0.243 70 20 CBID O=C1CC[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)CC[C@@H]2N1 160588034 SEMFAZKAODGXFD-BDAKNGLRSA-N 276.296 -0.489 70 20 CBID COC[C@H](O)CCNC(=O)[C@H](C)N1CCSCC1 160976184 GHNWYJALIPVBAC-WDEREUQCSA-N 276.402 -0.063 70 20 CBID O=C(NC[C@@]1(O)CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1123648927 OFRWQLQOPUWTPT-JTQLQIEISA-N 292.288 -0.446 70 20 CBID Cn1cnc(S(=O)(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 160720460 NPIMAAXDRFGEIH-ZJUUUORDSA-N 298.368 -0.291 70 20 CBID CC(C)CN(CC(N)=O)C(=O)c1ccc(C(N)=O)nc1 159674766 NCRHUAYXFKYOSS-UHFFFAOYSA-N 278.312 -0.236 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc[nH]n1 160626073 ZTEARERRZHDWRB-IUCAKERBSA-N 286.357 -0.143 70 20 CBID Cn1cc(N2CCN(C(=O)[C@@H]3CCCCN3)CC2=O)cn1 161023119 CAHAWPPEIPHEGA-LBPRGKRZSA-N 291.355 -0.263 70 20 CBID O=C1CC[C@@H]2CN(C(=O)C[C@@H]3CNCCO3)CC[C@@H]2N1 160259837 KOVXYQTZYXZVAE-UTUOFQBUSA-N 281.356 -0.508 70 20 CBID CS(=O)(=O)NCCCNCc1cccc(C(N)=O)c1 218087095 HEBLWJKZLAIRST-UHFFFAOYSA-N 285.369 -0.186 70 20 CBID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCNC1=O 1123649691 TYJHEFYQIGGVJS-QMMMGPOBSA-N 289.288 -0.367 70 20 CBID CC[C@H](C)[C@@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 159388650 AERGQCWAZONWEI-GXFFZTMASA-N 293.371 -0.031 70 20 CBID NC(=O)[C@H]1CC[C@H](CN[C@@H](C(N)=O)c2ccccc2)O1 160785771 MJIXLVRZFPCHMV-IJLUTSLNSA-N 277.324 -0.165 70 20 CBID COC[C@@H](C)S(=O)(=O)NC[C@](C)(O)CN(C)C 161467073 QHTCZRGQIZHQOD-ZJUUUORDSA-N 268.379 -0.747 70 20 CBID C[C@H](CNS(=O)(=O)c1c[nH]cn1)CN1CCOCC1 160364750 OFMACOGHADJSNE-SNVBAGLBSA-N 288.373 -0.344 70 20 CBID C[C@@H]1OCC[C@@H]1NC(=O)NCCN1CCOCC1 160608003 UICRZNKNSXFBAY-QWRGUYRKSA-N 257.334 -0.205 70 20 CBID C[C@@H]1NC(C(=O)N2CC(O)C2)=NN(c2ccccc2)C1=O 161434058 QNCDYKHVTDGQFP-VIFPVBQESA-N 288.307 -0.472 70 20 CBID CCn1cc(S(=O)(=O)NCC[C@@H](O)COC)nc1C 218093415 NCEOMSCXMOHADF-SNVBAGLBSA-N 291.373 -0.113 70 20 CBID CN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](CN)C1CC1 160101329 QVPNDPJTDDZZQH-NSHDSACASA-N 266.345 -0.747 70 20 CBID O=C1CC[C@@H]2CN(CCN3CCNCC3)CC[C@H]2N1 160332125 FRFPANJXSCXQEX-CHWSQXEVSA-N 266.389 -0.508 70 20 CBID O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCNC1 160821939 WYFJNMWILKXUAW-UWVGGRQHSA-N 251.330 -0.135 70 20 CBID CC[C@@H](CCO)NC(=O)c1cc(S(N)(=O)=O)cn1C 160977467 QXWLQGHSZMADNI-QMMMGPOBSA-N 289.357 -0.437 70 20 CBID CC(C)[C@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1 159672667 KHTDWUBYPXDFTO-NSHDSACASA-N 291.417 -0.195 70 20 CBID COCC(=O)N1CCN(CCn2ccnc2)CC1 159751488 RRFCDINLVQWOES-UHFFFAOYSA-N 252.318 -0.326 70 20 CBID NCCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O 160069723 CFFVAWYSGVWRMI-UHFFFAOYSA-N 268.317 -0.684 70 20 CBID CSC[C@@](C)(O)CNC(=O)CCN1C(=O)CCC1=O 217665678 UWYSAEXLBQKPBK-LBPRGKRZSA-N 288.369 -0.244 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](O)[C@@H](CO)C1 1346795380 DRFQANVZSWZQRQ-HZGVNTEJSA-N 292.288 -0.902 70 20 CBID Cn1cnnc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1527340974 LKCWDWUHLQDJJW-UHFFFAOYSA-N 287.276 -0.269 70 20 CBID C[C@H]1OCC[C@H]1NC(=O)NCCN1CCOCC1 160607623 UICRZNKNSXFBAY-GHMZBOCLSA-N 257.334 -0.205 70 20 CBID CN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 160640828 KEKXLJMALRGTSN-NWDGAFQWSA-N 282.388 -0.783 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cc(OC)cc(OC)c1 217711524 ZKAVRIFEZUZQEI-NSHDSACASA-N 283.280 -0.033 70 20 CBID CN1C[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O 160168106 MAENKRLESNGQRS-VXGBXAGGSA-N 283.372 -0.572 70 20 CBID CC(C)NC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1354031588 GLJDUDRGPFVXGZ-UHFFFAOYSA-N 291.304 -0.073 70 20 CBID N#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1601069762 RVKOOYMUMMGVFK-UHFFFAOYSA-N 289.244 -0.277 70 20 CBID CC(C)N1C[C@@H](NC(=O)NCCN2CCNCC2)CC1=O 217288331 AOQQFPWZHZEEDB-LBPRGKRZSA-N 297.403 -0.800 70 20 CBID C[C@@H](C(=O)NCC(F)(F)F)N(C)CCN1CCNCC1 159865296 VUPDZZJVFWARCO-JTQLQIEISA-N 296.337 -0.110 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1cn2ccccc2n1 217722235 GYNWDPZBOVXWSL-JTQLQIEISA-N 277.280 -0.473 70 20 CBID O=S(=O)(F)CCn1nc(C2CC2)nc1-c1nn[nH]n1 1593429312 SPTLFVPYYBYABJ-UHFFFAOYSA-N 287.280 -0.365 70 20 CBID O=C(N[C@@H]1CCOC1)N1CCN2C(=O)NC[C@@H]2C1 159464504 VVAIBRBYWZDTOW-RKDXNWHRSA-N 254.290 -0.806 70 20 CBID CCNC(=O)CN(CC)C(=O)c1cccc(=O)n1C 160611762 VNNGEINJJHLDAP-UHFFFAOYSA-N 265.313 -0.017 70 20 CBID O=C1CC[C@H]2CN(C(=O)CN3CCCC3=O)CC[C@H]2N1 160620682 UVAKAKPKLGBZTA-WDEREUQCSA-N 279.340 -0.264 70 20 CBID Cn1cnc(-c2ccc(NC(=O)NC(CO)CO)cc2)n1 161352785 SSUAVLGRSAKUJB-UHFFFAOYSA-N 291.311 -0.043 70 20 CBID CNC(=O)CCCN(C)S(=O)(=O)CCCOC 159388474 ZGZMRCTUDZNLHQ-UHFFFAOYSA-N 266.363 -0.189 70 20 CBID CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1CSCN1 160056561 HQBDEXIQDTYGRM-QMMMGPOBSA-N 280.415 -0.022 70 20 CBID COC[C@H](O)CNC(=O)c1cnc2cc(C)ccn2c1=O 159483132 ZUXIPRUUQBKVRF-SNVBAGLBSA-N 291.307 -0.260 70 20 CBID CC[C@H]1CCC[C@@H]1NC(=O)CNC(=O)CNC(C)=O 159515561 MESRPBQTLFFPBZ-QWRGUYRKSA-N 269.345 -0.066 70 20 CBID CCCS(=O)(=O)CC(=O)N(CC(N)=O)CC(C)C 159686238 IHDNUNCTJBSFMA-UHFFFAOYSA-N 278.374 -0.219 70 20 CBID NC[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O 160381565 PLFVQZTVXSJJEL-JTQLQIEISA-N 287.323 -0.259 70 20 CBID CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]1O 161176919 QCFOCDDAKWOEJN-GUBZILKMSA-N 292.401 -0.020 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnccn1 160331886 SCXDOCCWYCBXOJ-ZJUUUORDSA-N 298.368 -0.076 70 20 CBID O=C(CN1CCNCC1=O)NCCNC1CCCCCC1 159731517 KEIANVLPSXLVKF-UHFFFAOYSA-N 296.415 -0.153 70 20 CBID Cn1ccnc1CN1CCCN(S(C)(=O)=O)CC1 160746246 RMWDZTUCYMTORF-UHFFFAOYSA-N 272.374 -0.113 70 20 CBID Cn1nnc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1 1123828568 GXZOPNFDWZKFEC-UHFFFAOYSA-N 288.264 -0.874 70 20 CBID CCCC1(CNC(=O)CNC(=O)CNC(C)=O)CC1 160733938 JBARWAVKYYUGKG-UHFFFAOYSA-N 269.345 -0.065 70 20 CBID CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H](NC)C2)C1=O 160730540 VMHHFKBUFAFXEW-SNVBAGLBSA-N 296.371 -0.083 70 20 CBID CCN(Cc1cnn(C)c1)[C@H](C)C(=O)NCC(=O)OC 161118154 ZNNXAQVCTWNLBW-SNVBAGLBSA-N 282.344 -0.080 70 20 CBID Cc1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)CC2 161345441 DZRRHQNSYHFOCB-UWVGGRQHSA-N 278.312 -0.029 70 20 CBID NC(=O)CNC(=O)c1ccc(S(=O)(=O)F)cc1 864238075 CHUZFCGBRCPZCZ-UHFFFAOYSA-N 260.246 -0.440 70 20 CBID CC(CO)(CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123829649 OJGZPPASRVYIGP-UHFFFAOYSA-N 294.304 -0.606 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCCN3)C2=O)cn1 159609232 KPZKSZWICKGDMF-NEPJUHHUSA-N 291.355 -0.216 70 20 CBID CN(CC(N)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123567034 BXILUFISWYCSTI-UHFFFAOYSA-N 263.250 -0.770 70 20 CBID CC[C@@H](CCO)NC(=O)[C@H]1CC(=O)N(CCOC)C1 159425634 GSNAUVRZKKNUOR-QWRGUYRKSA-N 272.345 -0.242 70 20 CBID CC(C)C[C@H](CO)NC(=O)CN1CCN(C)CC1 160856003 KAXZIYGRZUEPFV-GFCCVEGCSA-N 257.378 -0.243 70 20 CBID Cn1cc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)nn1 1528227966 ZXHRERVALRLMBV-UHFFFAOYSA-N 287.276 -0.269 70 20 CBID CO[C@@H]1COC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348404434 GQHFTCGNSPOGNJ-DTWKUNHWSA-N 292.288 -0.184 70 20 CBID CC(C)N1CC[C@@H](NC(=O)[C@@H]2CSCN2)C1=O 160037015 QCOAKWUONWIORI-BDAKNGLRSA-N 257.359 -0.226 70 20 CBID CC(C)[C@@H](O)CNC(=O)C(C)(C)NS(C)(=O)=O 159748106 NWKLLGYHIGHFCP-QMMMGPOBSA-N 266.363 -0.553 70 20 CBID CC(C)[C@@H](CCO)NC(=O)C(C)(C)NS(C)(=O)=O 160510113 KMGVFFUXODWYHY-SECBINFHSA-N 280.390 -0.163 70 20 CBID C1C[C@@H](N2CCN(CCN3CCOCC3)CC2)CN1 217227519 ODMMNAOGHROZQW-CQSZACIVSA-N 268.405 -0.702 70 20 CBID CCN(CCCO)C(=O)c1ccc(=O)n(CCOC)n1 160447092 KFDLBKWMWZRIKQ-UHFFFAOYSA-N 283.328 -0.266 70 20 CBID CN1N=C(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCC1=O 160644178 XGGURJYHQPSMSX-ZJUUUORDSA-N 292.339 -0.278 70 20 CBID NC(=O)CONC(=O)c1cc2ccccc2c(=O)[nH]1 160690097 BXKYWYYJMTVBPT-UHFFFAOYSA-N 261.237 -0.325 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H](N)C1 161441949 XNDJABAJQKISKY-BDAKNGLRSA-N 277.390 -0.300 70 20 CBID Cn1c(=O)[nH]c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc21 160124625 CVZSMZMITYOZRD-UHFFFAOYSA-N 288.267 -0.792 70 20 CBID CCCN(C)S(=O)(=O)N(CCO)CCOC 161016143 AEHKQGMXFRESKO-UHFFFAOYSA-N 254.352 -0.486 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCn2ncnc2C1 1349233258 DJQBIMKUYBNEDW-UHFFFAOYSA-N 299.287 -0.080 70 20 CBID Cc1nc2n(n1)C[C@@H](NC(=O)C[C@H]1COC(=O)C1)CC2 161345214 DZRRHQNSYHFOCB-ZJUUUORDSA-N 278.312 -0.029 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc[nH]n1 160625738 ZTEARERRZHDWRB-RKDXNWHRSA-N 286.357 -0.143 70 20 CBID CSCC[C@@H](CO)NC(=O)[C@H]1CN(C)CCO1 159898389 QCLHMAUZSSCSDZ-VHSXEESVSA-N 262.375 -0.453 70 20 CBID CC(C)N1C[C@H](NC(=O)N2CCN(C)CC2)CC1=O 217288307 GKEPBMDZAHSUMT-LLVKDONJSA-N 268.361 -0.047 70 20 CBID C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)N(C)C 1263760379 BEQNBCJSSJWPRE-ZCFIWIBFSA-N 291.304 -0.121 70 20 CBID CS(=O)(=O)NCCCNC(=O)[C@H]1CCCCO1 161262025 DMVSUNCOHNTVPE-SECBINFHSA-N 264.347 -0.389 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccc(N(C)C)nc1 217728033 JZKRNBWALALZFG-SECBINFHSA-N 267.285 -0.589 70 20 CBID CNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347809552 LHDKSTRXWZJRFG-UHFFFAOYSA-N 263.250 -0.851 70 20 CBID CN1CCC[C@H](CN(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 159652487 WCWLXGJNZJYPOP-UWVGGRQHSA-N 282.344 -0.615 70 20 CBID CN[C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 160796054 UPABUMXTKUGBTN-SNVBAGLBSA-N 262.375 -0.123 70 20 CBID CCN(CC(=O)NC)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1123566298 PASYWIDUDOYWFF-UHFFFAOYSA-N 291.304 -0.119 70 20 CBID C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CSCN1 161218096 RUSADXIXVPXISA-HLTSFMKQSA-N 278.399 -0.317 70 20 CBID CNC(=O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1351579872 XZCFVZBZQUXUML-UHFFFAOYSA-N 289.288 -0.509 70 20 CBID COCCN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O 159753883 CPSNDJQMNNVMCA-RWMBFGLXSA-N 295.383 -0.166 70 20 CBID C[C@@H](CO)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 159713934 LCJCUNSPBFPZTF-SSDOTTSWSA-N 285.325 -0.237 70 20 CBID C#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1602691648 QUBKKMCKPNCRSH-UHFFFAOYSA-N 288.256 -0.167 70 20 CBID CCNC(=O)NC(=O)CN(C)C[C@H]1CCC[C@@H]1O 159673215 ICGZPHHZDLNISB-ZJUUUORDSA-N 257.334 -0.075 70 20 CBID COC[C@]1(C)NC(=O)N(CCS(=O)(=O)F)C1=O 883953462 WPADNRPROQXZPF-QMMMGPOBSA-N 268.266 -0.757 70 20 CBID CN(C)C[C@@](C)(O)CNS(=O)(=O)CCCF 161509826 RKVPGASAPSGFIB-VIFPVBQESA-N 256.343 -0.422 70 20 CBID CC(=O)NC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 990022100 PSQHJFYMNKWGDG-UHFFFAOYSA-N 289.288 -0.367 70 20 CBID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O 1594238147 DHEMQRHGOVDZIB-BYPYZUCNSA-N 264.234 -0.124 70 20 CBID N[C@@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 160299720 XWAZODGFISFHSN-MXWKQRLJSA-N 279.340 -0.279 70 20 CBID COCCNC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 217307260 CXUJMQYYFPTVKI-SNVBAGLBSA-N 294.373 -0.522 70 20 CBID Cn1cnc(-c2ccc(NC(=O)NC[C@@H](O)CO)cc2)n1 160562132 CHJPWEXNXOJPBS-LLVKDONJSA-N 291.311 -0.043 70 20 CBID O=C(CN1C(=O)CCOc2ccccc21)NCCO 218674683 BZNYUOZNZQMVGW-UHFFFAOYSA-N 264.281 -0.089 70 20 CBID Cn1c(Cl)cc(=O)n(CCS(=O)(=O)F)c1=O 883954112 ZOYVJXHKFXCQCX-UHFFFAOYSA-N 270.669 -0.500 70 20 CBID CCNC(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123468433 NUGGYHJPSLYHTB-UHFFFAOYSA-N 278.265 -0.363 70 20 CBID O=C(O)COCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1608757870 KUEVEGYNLGBFJK-UHFFFAOYSA-N 294.260 -0.496 70 20 CBID COC[C@H](N)C(=O)NCc1ccc(N2CCOCC2)nc1 159445127 ODQFEYJVSTVCHG-LBPRGKRZSA-N 294.355 -0.492 70 20 CBID O=C(NCC1CCN(CCO)CC1)c1cc[nH]n1 160643772 OTSDDXDHWVGHHS-UHFFFAOYSA-N 252.318 -0.156 70 20 CBID CC(C)C[C@H](CCC(=O)NCCO)C(=O)NCCO 159402894 VDHYTDBXSYEBBB-NSHDSACASA-N 274.361 -0.354 70 20 CBID COCCN(CCO)C(=O)c1ccc(C(N)=O)cc1 160642499 CADFAAKQROVBGF-UHFFFAOYSA-N 266.297 -0.134 70 20 CBID CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217037650 INVMHHKMMPEITO-OLZOCXBDSA-N 296.415 -0.297 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCC[C@@H]2OCC[C@H]12 159785368 SUCUOUDGWXRXIB-VWYCJHECSA-N 293.323 -0.390 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1ccc(NC(C)=O)cc1 217686861 GSGJSVZWYYGXRZ-LBPRGKRZSA-N 294.307 -0.162 70 20 CBID O=C(NCCCOCCO)c1cc(S(=O)(=O)F)c[nH]1 1521205541 GYRUCHXVHWOTSF-UHFFFAOYSA-N 294.304 -0.198 70 20 CBID CCOCCS(=O)(=O)NC[C@H](C)CN1CCOCC1 160362323 ZDIPNUGXGYVOPJ-LBPRGKRZSA-N 294.417 -0.089 70 20 CBID CC(=O)N(C)CC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 160645772 AGFXBPJPNRMKKW-WDEREUQCSA-N 267.329 -0.408 70 20 CBID N[C@H]1CCC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 160896918 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NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 160713219 BZBXQXBHEGKVTF-RYUDHWBXSA-N 296.371 -0.634 70 20 CBID CCC[C@H](N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161141251 KUIKKKDBYCIBJM-WDEREUQCSA-N 279.344 -0.231 70 20 CBID O=C(NCCNCCF)c1cc(S(=O)(=O)F)c[nH]1 1133975804 BCJUFSOWZZCGFR-UHFFFAOYSA-N 281.284 -0.038 70 20 CBID O=C1CCC(=O)N1CCN1CCC(OCCO)CC1 160438129 OTCQEYXVZVVELR-UHFFFAOYSA-N 270.329 -0.391 70 20 CBID CC(C)(C)C(=O)NCC(=O)NCC1CCN(CCO)CC1 160603086 AYZPFXIYEHWVEB-UHFFFAOYSA-N 299.415 -0.031 70 20 CBID COCCN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2CO)CC1=O 217931785 UBHDAYFLSRFAEC-IJLUTSLNSA-N 284.356 -0.242 70 20 CBID CCOC(=O)[C@@H]1CCCN1C(=O)CN1CCC(=O)NC1=O 218195000 WRCMYZBTXWMOAC-VIFPVBQESA-N 297.311 -0.518 70 20 CBID CCC(N)(CC)CNC(=O)CN1C(=O)CN(C)C1=O 160445208 JATIHIYCVZYPDN-UHFFFAOYSA-N 270.333 -0.486 70 20 CBID CCS(=O)(=O)NCC(=O)N1C[C@@H](C)OC(C)(C)C1 160484327 WKUCQBSNUVUYIR-SECBINFHSA-N 278.374 -0.048 70 20 CBID COC[C@H](N)C(=O)N1CCN(C(=O)c2ccccc2)CC1 159434612 LLIBLFYUMUKPOW-ZDUSSCGKSA-N 291.351 -0.055 70 20 CBID N[C@H]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 160879824 NNHPKFKUTZYFIV-QWRGUYRKSA-N 289.339 -0.118 70 20 CBID CCN(CC)S(=O)(=O)CC(=O)N[C@H]1CCC[C@@H]1O 161088653 XSQXIIKIVDAAMI-UWVGGRQHSA-N 278.374 -0.312 70 20 CBID Cc1nc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cn1C 161457611 LYLHIWHTTAOFOA-LLVKDONJSA-N 290.389 -0.681 70 20 CBID NC(=O)[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)CCO1 217138059 ANBSPUKOMGNSHB-HTQZYQBOSA-N 295.261 -0.664 70 20 CBID CCN1C[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O 160453349 KGKBMCYDVWGEPO-CHWSQXEVSA-N 297.399 -0.182 70 20 CBID CNC(=O)c1cccc(CCNC(=O)[C@H]2CNCCO2)c1 160370519 SDTXYJUWJVHCIY-CYBMUJFWSA-N 291.351 -0.307 70 20 CBID COCCN(CCO)C(=O)c1cnc2ccccn2c1=O 160633969 OHHNWPJPRHHGNW-UHFFFAOYSA-N 291.307 -0.225 70 20 CBID Cn1nnc(CNC(=O)c2ccc(S(=O)(=O)F)cc2)n1 1337634519 AVNTZWPORZWDFB-UHFFFAOYSA-N 299.287 -0.202 70 20 CBID NC(=O)CSCC(=O)N[C@@H](CO)Cc1ccccc1 159935696 XGMOGYLAIUINJC-LLVKDONJSA-N 282.365 -0.075 70 20 CBID COC(=O)CNC(=O)CCN(C)C[C@@H]1CCC[C@@H]1O 159788371 HKRRBBVLAUCPEO-QWRGUYRKSA-N 272.345 -0.242 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1ccnc(N(C)C)c1 217701562 ZBUGMYRLIXFBLW-SECBINFHSA-N 267.285 -0.589 70 20 CBID Cc1ccc(C(=O)C(=O)NCCS(N)(=O)=O)cc1 160102376 YOMGFDHOKHXHDN-UHFFFAOYSA-N 270.310 -0.418 70 20 CBID Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)CN(C)C 161479676 YAFVIKMJSBDZJK-NSHDSACASA-N 291.373 -0.118 70 20 CBID C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1346320125 NXHCMSOXXNEBCP-BYPYZUCNSA-N 263.250 -0.724 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnccn1 160332171 SCXDOCCWYCBXOJ-UWVGGRQHSA-N 298.368 -0.076 70 20 CBID Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CSCN3)C2=O)cn1 161139989 ZRPRLWDAVZOSMI-UWVGGRQHSA-N 295.368 -0.696 70 20 CBID Cn1cc(C(=O)N2CCN(S(=O)(=O)F)CC2)cn1 1776004395 QYVFIXUQUZQCDO-UHFFFAOYSA-N 276.293 -0.608 70 20 CBID CN1CCO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 159722486 GLIJUMKUWSPOOQ-NWDGAFQWSA-N 277.324 -0.610 70 20 CBID NCCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 160085966 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CC[C@@H](COC)NS(=O)(=O)N1CCOCC1 160311344 WKBDQECMSMOQAY-VIFPVBQESA-N 252.336 -0.422 70 20 CBID CC(C)c1cc(=O)n(CC(=O)N2CCNC(=O)C2)cn1 160685826 BPEQXFADGTZYJN-UHFFFAOYSA-N 278.312 -0.675 70 20 CBID COC[C@H](O)CCNC(=O)c1nc2nc(C)cc(C)n2n1 161268888 XPBNWQYWLFMFGO-SNVBAGLBSA-N 293.327 -0.132 70 20 CBID COc1ccc(C(=O)NCC(=O)N2CC[C@@H](N)C2)cc1 160297939 WRYSFVKBBHCGBL-LLVKDONJSA-N 277.324 -0.015 70 20 CBID O=C(Cn1nc2ccccn2c1=O)N[C@H]1CCC[C@@H]1O 161094133 YEIMYUASTVLQGA-UWVGGRQHSA-N 276.296 -0.474 70 20 CBID COC(=O)c1ccc(=O)n(CCS(=O)(=O)F)n1 1331955139 IDWYPUHIGCNALY-UHFFFAOYSA-N 264.234 -0.671 70 20 CBID Cn1cc(N2CCN(C(=O)C[C@H]3CCCN3)CC2=O)cn1 159388933 RPRXUTPFPMGIAO-LLVKDONJSA-N 291.355 -0.263 70 20 CBID CCN(CCNC(=O)Cn1cnc(N)n1)C1CC1 217908680 JSDOMSAWHOSRHW-UHFFFAOYSA-N 252.322 -0.539 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)C[C@H]3CCCN3)C2=O)cn1 159614144 OUUADRAHRJDNQQ-ZYHUDNBSSA-N 291.355 -0.216 70 20 CBID C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCOCC1 160607746 UICRZNKNSXFBAY-WDEREUQCSA-N 257.334 -0.205 70 20 CBID COC[C@@H](O)CCNC(=O)COc1c(C)nn(C)c1C 161019050 ACKCSKJDVAPSOT-NSHDSACASA-N 285.344 -0.071 70 20 CBID COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccn(C)c1 159806705 BUDVPAFZQZSNIU-LLVKDONJSA-N 265.313 -0.111 70 20 CBID CCN1CCCN(C(=O)NCCN2C(=O)CCC2=O)CC1 159859730 CBVDVUSVRVBKAS-UHFFFAOYSA-N 296.371 -0.127 70 20 CBID O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCNC1 160822080 WYFJNMWILKXUAW-ZJUUUORDSA-N 251.330 -0.135 70 20 CBID COC[C@](C)(CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348818085 TUWKFDOCVOFTBG-JTQLQIEISA-N 294.304 -0.200 70 20 CBID C[C@@H](CO)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 159717327 WRBZCEJQSTZYNH-SECBINFHSA-N 298.364 -0.121 70 20 CBID CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)NCC(=O)OC 161118032 ZNNXAQVCTWNLBW-JTQLQIEISA-N 282.344 -0.080 70 20 CBID CCOCCS(=O)(=O)NCC1CCN(CCO)CC1 161400687 AIIYDDLEWVIWMB-UHFFFAOYSA-N 294.417 -0.353 70 20 CBID CCN(C)S(=O)(=O)NC[C@](C)(O)CN(C)C 161417718 UCILAYDOMPEWEI-VIFPVBQESA-N 253.368 -0.915 70 20 CBID CN(CCc1ccncc1)C(=O)[C@H]1CNCCN1C 216886408 UYSSXEWARUCZLH-CYBMUJFWSA-N 262.357 -0.014 70 20 CBID C[C@H](CNC(=O)Cn1cnc(N)n1)N(C)C1CC1 217949715 XXJDXPFNRPICOA-MRVPVSSYSA-N 252.322 -0.541 70 20 CBID CCS(=O)(=O)CC(=O)N(CC(N)=O)CC(C)C 159687184 CGONWBNSYUDACG-UHFFFAOYSA-N 264.347 -0.609 70 20 CBID COC[C@@H](O)CCNC(=O)CN1CCCCC1=O 161088274 LFNCXRDUFHRSJR-JTQLQIEISA-N 258.318 -0.488 70 20 CBID CCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 161141367 KUIKKKDBYCIBJM-GHMZBOCLSA-N 279.344 -0.231 70 20 CBID COCCNCC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C 159750972 AQISGKZVQQNOFE-NXEZZACHSA-N 278.374 -0.744 70 20 CBID O=C(NCC1CCN(CCO)CC1)[C@@H]1CCCO1 160007036 SQWMKQVWBBRONE-LBPRGKRZSA-N 256.346 -0.014 70 20 CBID O=C(NCCC(=O)N1CC(O)C1)OCC(F)(F)F 161441431 LTBSXZRXRIKLLM-UHFFFAOYSA-N 270.207 -0.132 70 20 CBID CC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999953905 RZXDKXRKPACZAY-UHFFFAOYSA-N 289.288 -0.367 70 20 CBID CC[C@H](CCO)NC(=O)[C@@H]1CC(=O)N(CCOC)C1 159425508 GSNAUVRZKKNUOR-GHMZBOCLSA-N 272.345 -0.242 70 20 CBID COC[C@@H](O)CCNC(=O)[C@@H](C)N1CCSCC1 160976059 GHNWYJALIPVBAC-MNOVXSKESA-N 276.402 -0.063 70 20 CBID CCN(CC(=O)NCCC(=O)OC)Cc1cnn(C)c1 161096381 VLAKPOYMAVTWJQ-UHFFFAOYSA-N 282.344 -0.079 70 20 CBID CC(C)N1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 159792811 YFQZOZWNKYMOKB-VIFPVBQESA-N 268.317 -0.863 70 20 CBID O=C1CC[C@H]2CN(CCC(=O)N3CCNCC3)CC[C@H]2N1 160329516 PCXRLYSMQCAZCN-QWHCGFSZSA-N 294.399 -0.591 70 20 CBID CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]2O)CC1=O 161261026 JTSKLJZGVJJCDT-WOPDTQHZSA-N 283.372 -0.574 70 20 CBID C[C@H](CO)CNC(=O)c1cccc(OCC(N)=O)c1 160434687 PLGVPICIOAYJSR-VIFPVBQESA-N 266.297 -0.091 70 20 CBID O=C([C@@H]1CCC[C@@H](C(=O)N2CC(O)C2)C1)N1CC(O)C1 161431335 SHCRJFGFMJLZHO-NXEZZACHSA-N 282.340 -0.801 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1nc2nc(C)cc(C)n2n1 217740739 WEYLPDWWCLFZHI-QMMMGPOBSA-N 293.283 -0.995 70 20 CBID CN[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 160505604 RFBBZJQLEVKPFV-IINYFYTJSA-N 294.355 -0.473 70 20 CBID CN(C)CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 217039360 HHRVFNLOUYOUID-CHWSQXEVSA-N 296.415 -0.345 70 20 CBID C[C@H](CO)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 159713808 LCJCUNSPBFPZTF-ZETCQYMHSA-N 285.325 -0.237 70 20 CBID CNC(=O)[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(C)c2c1 160034763 PLFGAFRQMDZHBN-ZETCQYMHSA-N 276.296 -0.269 70 20 CBID Cc1cc(NS(=O)(=O)N2CCOCC2)c[nH]c1=O 160488846 ZSACMHKHKJGLRW-UHFFFAOYSA-N 273.314 -0.328 70 20 CBID Cn1nc(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)ccc1=O 160608332 VHOVMUBXVCMQDO-VHSXEESVSA-N 290.323 -0.479 70 20 CBID CN[C@@H]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 160744442 CZNUDUFDZUKXRL-SNVBAGLBSA-N 296.371 -0.083 70 20 CBID COC[C@@H](O)CCNC(=O)c1ccc2c(c1)[nH]c(=O)n2C 161463219 OGLBPUWKSWGWOO-JTQLQIEISA-N 293.323 -0.006 70 20 CBID CCCc1nc(C(N)=O)nn1CCS(=O)(=O)F 883953993 UUHUPHSFTXWABD-UHFFFAOYSA-N 264.282 -0.371 70 20 CBID Cc1nn(C)c(C)c1OCC(=O)NN1CCOCC1 160564528 SUPFCVMGSMLZLN-UHFFFAOYSA-N 268.317 -0.221 70 20 CBID O=C(NCCCN1CCOCC1)N[C@H]1CCOC1 159438804 BIGXBZPLFAOOFN-NSHDSACASA-N 257.334 -0.203 70 20 CBID C[C@@H](O)CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133975779 AFFKNNRDQNVXKK-SSDOTTSWSA-N 293.320 -0.627 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(OC)c(OC)c1 217688256 PALVGORQRZQQGJ-VIFPVBQESA-N 283.280 -0.033 70 20 CBID C[C@@H](N)[C@H]1CN(C(=O)C2CCN(C)CC2)CCO1 218648136 RZRNUERFJNWSGR-ZYHUDNBSSA-N 255.362 -0.097 70 20 CBID O=C(NCc1ccccc1OCCO)[C@@H]1CNCCO1 159810754 GXUCMUBMVYAUED-ZDUSSCGKSA-N 280.324 -0.338 70 20 CBID O=C1CN(C(=O)CCCNC(=O)c2cccnc2)CCN1 160988456 VYENTQOEWLTNKC-UHFFFAOYSA-N 290.323 -0.450 70 20 CBID O=C(NCCO)[C@H]1CSCN1C(=O)C1CCC1 159435092 MOXTXIZFWBALKI-SECBINFHSA-N 258.343 -0.204 70 20 CBID O=C(Nc1nn[nH]n1)c1cc(S(=O)(=O)F)c[nH]1 1527566865 YJMDDIQMEWRBPH-UHFFFAOYSA-N 260.210 -0.562 70 20 CBID O=C(N[C@H](CF)C(=O)O)c1cc(S(=O)(=O)F)c[nH]1 1608398347 FDUGAPFFFALKPY-ZCFIWIBFSA-N 282.224 -0.175 70 20 CBID NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)O1 159942580 XPWBILMKQPJLJP-LDYMZIIASA-N 289.291 -0.277 70 20 CBID O=C(NCCn1cnnc1)c1cc(S(=O)(=O)F)c[nH]1 1346797243 VGBACEVXGGCBMY-UHFFFAOYSA-N 287.276 -0.306 70 20 CBID CCN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351578349 LGHBMTMROPZBTF-UHFFFAOYSA-N 291.304 -0.119 70 20 CBID CC(=O)N(C)CC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160645566 AGFXBPJPNRMKKW-GHMZBOCLSA-N 267.329 -0.408 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(C(N)=O)cc1 217732019 NMIBMCCJXRJCEO-VIFPVBQESA-N 266.253 -0.951 70 20 CBID CCCN(CC)CCNC(=O)Cn1cnc(N)n1 217998123 WSZLMOUXJYDPRP-UHFFFAOYSA-N 254.338 -0.292 70 20 CBID COC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)OC 159430454 OJPWZZQNGZIQSB-VXGBXAGGSA-N 280.324 -0.139 70 20 CBID COC[C@H](O)CNC(=O)c1cccc(-n2cnnn2)c1 159542523 VNZJAHJXQLENKZ-LLVKDONJSA-N 277.284 -0.601 70 20 CBID Cc1cc(C(=O)NCCN2CCS(=O)(=O)CC2)ncn1 159897762 FPUKWAXEVRZHHQ-UHFFFAOYSA-N 298.368 -0.755 70 20 CBID Cn1cc(N2CCN(C(=O)[C@H]3CC[C@H](N)C3)CC2=O)cn1 159386148 IMDCHZYVMPWROV-QWRGUYRKSA-N 291.355 -0.277 70 20 CBID O=C(CCNC(=O)c1[nH]nc2ccccc12)NCCO 159428357 DHJKFIBZCVJNHC-UHFFFAOYSA-N 276.296 -0.209 70 20 CBID O=C1CC[C@@H]2CN(C(=O)[C@@H]3CNCCO3)CC[C@@H]2N1 160216952 VWPFFFXCUOXBFT-VWYCJHECSA-N 267.329 -0.898 70 20 CBID CC(C)(N)CNC(=O)CN1C(=O)NC2(CCCC2)C1=O 160010519 XSZOGLGULIAIBW-UHFFFAOYSA-N 282.344 -0.296 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1ccc(OC)c(OC)c1 217682324 YZICFHDRJRHKKC-JTQLQIEISA-N 297.307 -0.104 70 20 CBID CC(C)[C@H](NC(N)=O)C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 160576423 ZLEQRQKTBRSBNB-FOGDFJRCSA-N 296.371 -0.194 70 20 CBID COC[C@@H](O)CCNC(=O)Cn1nc2ccccn2c1=O 160899110 XHOMEJFZBNHGQF-JTQLQIEISA-N 294.311 -0.990 70 20 CBID CN(CCNS(C)(=O)=O)C[C@H]1CCC[C@@H]1O 159536409 GBEBRCZOVDJOPH-ZJUUUORDSA-N 250.364 -0.372 70 20 CBID O=C(N[C@H]1C[C@H](O)C1)c1cc(S(=O)(=O)F)c[nH]1 1521707738 DBGKISGPQVFVQV-IZLXSQMJSA-N 262.262 -0.074 70 20 CBID COCC(=O)N(C)CC(=O)NCc1cc(C)no1 160424185 NODWQLFGKIRNQR-UHFFFAOYSA-N 255.274 -0.296 70 20 CBID COCCCS(=O)(=O)N[C@@H]1CCN(C)C1=O 160467566 IANFOLUBRAUQSU-MRVPVSSYSA-N 250.320 -0.827 70 20 CBID CN1C[C@H](C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1=O 160552010 PFKWJNOFRYWBJN-MXWKQRLJSA-N 279.340 -0.408 70 20 CBID CS(=O)(=O)CCC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 160672603 VJJJJYDNBLBEBE-ZJUUUORDSA-N 288.369 -0.452 70 20 CBID CCCN(C)S(=O)(=O)NC[C@@](C)(O)CN(C)C 161473829 MUSWBYPGBYFSKR-SNVBAGLBSA-N 267.395 -0.525 70 20 CBID CCOC(=O)[C@@H](N)C(=O)N(C)CCc1ccccn1 159555722 RUBBSFYJZMMZLW-NSHDSACASA-N 265.313 -0.027 70 20 CBID CCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160832722 VFBUBBNKUJWQPT-UHFFFAOYSA-N 279.406 -0.429 70 20 CBID CCc1nnc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)s1 216764806 NVIBJLMIPNEPEY-BYPYZUCNSA-N 269.286 -0.363 70 20 CBID CN(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1348404288 DGPDONMLVGELAE-ZETCQYMHSA-N 293.320 -0.675 70 20 CBID CN1C[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O 160168230 MAENKRLESNGQRS-NWDGAFQWSA-N 283.372 -0.572 70 20 CBID O=C(CNS(=O)(=O)c1cccs1)N1CC(O)C1 161478293 LTXCTMZVZKWEKE-UHFFFAOYSA-N 276.339 -0.771 70 20 CBID CC(C)N1C[C@H](NC(=O)NCCN2CCNCC2)CC1=O 217288329 AOQQFPWZHZEEDB-GFCCVEGCSA-N 297.403 -0.800 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1cc2ccccc2c(=O)[nH]1 217727826 RYVNQIOEOWIIDM-LLVKDONJSA-N 290.275 -0.208 70 20 CBID NCCCNC(=O)CCn1nnc2ccccc2c1=O 160026831 WNEVCTUVCHLNEI-UHFFFAOYSA-N 275.312 -0.353 70 20 CBID CCN(CCCO)C(=O)C1CCN(S(C)(=O)=O)CC1 160480714 JKBCOKUSSSXZFF-UHFFFAOYSA-N 292.401 -0.111 70 20 CBID CO[C@H](C(=O)O)C(=O)Nc1ncc(S(=O)(=O)F)s1 1593913917 AULOBCSMJIKWOI-BYPYZUCNSA-N 298.273 -0.161 70 20 CBID Cn1cnc2c(=O)n(CCS(=O)(=O)F)cnc21 1330855020 DASRZLDEOHCLEU-UHFFFAOYSA-N 260.250 -0.571 70 20 CBID CCn1cc(S(=O)(=O)NC[C@H](O)COC)cn1 160916735 ZYMVTUMEAPUXJE-QMMMGPOBSA-N 263.319 -0.811 70 20 CBID CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C1CC1 161396037 BTRDNSUHMKFXCD-UHFFFAOYSA-N 277.328 -0.055 70 20 CBID CC(C)NC(=O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 159421397 AIEMLSZNJOQTBZ-CYBMUJFWSA-N 296.415 -0.075 70 20 CBID O=C1C[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)NC(=O)N1 216721426 OWTATKYJXWALKR-HOSYDEDBSA-N 289.291 -0.641 70 20 CBID COCCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 160359483 JPENQOXMOGREKS-ZJUUUORDSA-N 278.374 -0.143 70 20 CBID CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)CN1CCNCC1=O 159549331 VZPVXEKEHRLDHD-BIMULSAOSA-N 281.356 -0.652 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1c[nH]nc1C 159841904 MYCUNFCVAJIZSF-JTQLQIEISA-N 266.301 -0.418 70 20 CBID CCC[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12 160024091 DPAYSRICYHUJBS-MRVPVSSYSA-N 291.311 -0.281 70 20 CBID CN(C)C[C@](C)(O)CNC(=O)CS(=O)(=O)C(C)(C)C 160101398 MDPMKFXABUZMLE-GFCCVEGCSA-N 294.417 -0.372 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)[C@H](N)C(C)C 160095301 HDHNYAXZRBRQNP-DTWKUNHWSA-N 250.364 -0.091 70 20 CBID CN(C)C(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 217043123 YEKGKFFTRYWWNN-OLZOCXBDSA-N 296.415 -0.345 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1ccc(OC)cc1 217691319 VNWZKIZAIRQJCT-NSHDSACASA-N 267.281 -0.112 70 20 CBID CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1354897874 HVEQXAAXUVEORV-SSDOTTSWSA-N 289.288 -0.367 70 20 CBID CC(C)(O)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 161008873 NLVFTLGXASMKND-UHFFFAOYSA-N 297.340 -0.289 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CCNCC3)CC[C@H]2N1 160232559 ZWYKMTZWIKJDFG-VXGBXAGGSA-N 280.372 -0.981 70 20 CBID CCCC1(CNC(=O)c2[nH]c(=O)[nH]c(=O)c2N)CC1 160715079 NNUQOFGTAHINHU-UHFFFAOYSA-N 266.301 -0.045 70 20 CBID COCCN1C[C@@H](C(=O)N2CCC(C)(O)CC2)CC1=O 161310004 QJKSMRCUPBIBNM-NSHDSACASA-N 284.356 -0.145 70 20 CBID COC[C@H](O)CNS(=O)(=O)c1cn(CC(C)C)cn1 160900551 VAQCBSIILHRHBL-SNVBAGLBSA-N 291.373 -0.175 70 20 CBID CC(C)(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1348385101 PSITZODFLKLRSN-UHFFFAOYSA-N 291.304 -0.086 70 20 CBID C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2CO)[C@H](C)CO1 159858046 RDLWEYFAGYHOAM-VWYCJHECSA-N 278.374 -0.203 70 20 CBID CCn1cc(S(=O)(=O)N(CCO)CCOC)cn1 161023662 LNRRRLGSRPSEFZ-UHFFFAOYSA-N 277.346 -0.468 70 20 CBID CC(C)[C@@H](N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 161029067 NGAOIGRQDCZIRW-DTWKUNHWSA-N 263.363 -0.880 70 20 CBID COCC1(O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1521436964 AMEWQGTZYBTBLS-UHFFFAOYSA-N 292.288 -0.494 70 20 CBID COC(=O)[C@H](O)CNC(=O)[C@H]1Cc2ccccc2O1 217721115 QLTQMULOVJUCMF-MWLCHTKSSA-N 265.265 -0.360 70 20 CBID COC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1518677566 FJMFRVRINYVWLV-YFKPBYRVSA-N 278.261 -0.036 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCNC3)C2=O)cn1 161142002 KQMMTVBTCMATMX-CMPLNLGQSA-N 291.355 -0.359 70 20 CBID COCCOCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 218079343 PLEJVMVMUBRUPL-ZDUSSCGKSA-N 286.372 -0.027 70 20 CBID COC[C@H](CCO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346642410 SIISOWDUAKZNDD-ZETCQYMHSA-N 294.304 -0.200 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)OCO2 217708798 ZHYJOIZMCDWKID-QMMMGPOBSA-N 267.237 -0.321 70 20 CBID Cn1nnnc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1519744627 BHXGNCKNEQLKMA-UHFFFAOYSA-N 288.264 -0.874 70 20 CBID O=C1CC[C@@H]2CN(C(=O)CN3CSCC3=O)CC[C@@H]2N1 160664012 XHYXXEDQVXCOIR-ZJUUUORDSA-N 297.380 -0.354 70 20 CBID Nc1nc(N)nc(CN2CCN(c3ccncc3)CC2)n1 161358881 KLJCCINLYXRZNL-UHFFFAOYSA-N 286.343 -0.247 70 20 CBID Cn1c(=O)ccn(CC(=O)NCC2(C3CC3)CC2)c1=O 160130987 DCFXXAUFPRVICM-UHFFFAOYSA-N 277.324 -0.147 70 20 CBID CCNC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 217307199 NCZOZHPYCXXJFI-VIFPVBQESA-N 264.347 -0.149 70 20 CBID NC(=O)CNC(=O)c1cccc(S(=O)(=O)F)c1 1120866823 XYAYOLDOAVDDLE-UHFFFAOYSA-N 260.246 -0.440 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]1CO 1355090429 KDMZGJYCMJFIEH-LURJTMIESA-N 262.262 -0.120 70 20 CBID COC[C@@H](O)CNS(=O)(=O)c1cn(CC(C)C)cn1 160900448 VAQCBSIILHRHBL-JTQLQIEISA-N 291.373 -0.175 70 20 CBID NC(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346340785 JZSDNSLZWHQYTR-LURJTMIESA-N 289.288 -0.380 70 20 CBID CNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)CO)o1 160552167 WOPPEZPVMUUSNF-SSDOTTSWSA-N 276.314 -0.360 70 20 CBID CNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CCC[C@@H]1O 159874169 IVIHMFCLDYHXLD-GUBZILKMSA-N 257.334 -0.077 70 20 CBID CC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)N(C)C 159969151 AYASWIIAOCXCON-JTQLQIEISA-N 277.390 -0.570 70 20 CBID CCOCC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 160378506 WQGBOIDSRJWZHJ-NXEZZACHSA-N 278.374 -0.143 70 20 CBID CC(C)[C@H](CCO)NC(=O)CN(C)S(C)(=O)=O 160475538 IWKZNMJOBZXKHU-VIFPVBQESA-N 266.363 -0.599 70 20 CBID CN[C@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 160746834 GIXMUMCBOVGBKI-SDDRHHMPSA-N 293.367 -0.018 70 20 CBID CC[C@@H](C)NC(=O)CN1CCN(Cc2nncn2C)CC1 160756093 MHAHYXYXURUSKQ-GFCCVEGCSA-N 294.403 -0.153 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1cnn(-c2ccccc2)n1 217674119 PKDUWIFFCIFAFK-NSHDSACASA-N 290.279 -0.469 70 20 CBID CNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1336960888 BEKDACFGRWPPBL-RXMQYKEDSA-N 277.277 -0.463 70 20 CBID N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1123649979 WRVYTKGVUBAAJG-UHFFFAOYSA-N 287.272 -0.227 70 20 CBID O=C(N[C@@H]1COCC[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1520302256 IIXQHTZHINCHJU-RKDXNWHRSA-N 292.288 -0.448 70 20 CBID CCN1CCN(CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1 159365129 STAXICIOMCGJDL-OKILXGFUSA-N 280.416 -0.023 70 20 CBID COCCNCC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 160872417 ZDODXKXRTLUFPH-VHSXEESVSA-N 257.334 -0.617 70 20 CBID CCN(C)S(=O)(=O)NCCSCCCO 161335981 PSAKODRJVYFTNN-UHFFFAOYSA-N 256.393 -0.112 70 20 CBID Cc1cc(O)cc(=O)n1CC(=O)NCCNC(=O)C1CC1 161451599 OCWHQSLIQXNVLV-UHFFFAOYSA-N 293.323 -0.495 70 20 CBID CCn1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)cn1 161442578 CHVSRYXMYWWSIB-LLVKDONJSA-N 290.389 -0.506 70 20 CBID COC(=O)[C@H](O)CNC(=O)Cc1ccc(NC(C)=O)cc1 217686948 GSGJSVZWYYGXRZ-GFCCVEGCSA-N 294.307 -0.162 70 20 CBID COc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)nn1 160155138 OLDBQZNWGDYBPX-NSHDSACASA-N 293.371 -0.149 70 20 CBID CO[C@]1(CNS(=O)(=O)C[C@@H]2CCCCN2)CCOC1 160675040 SCZOAVOHOTZGGL-RYUDHWBXSA-N 292.401 -0.147 70 20 CBID CN(C)c1nc(N)nc(CN2CCC(OCCO)CC2)n1 160433932 KYMIPIQXCKJFSE-UHFFFAOYSA-N 296.375 -0.507 70 20 CBID COC[C@@H](N)C(=O)NCCNC(=O)c1ccc(C)cc1 159373628 UGLYZZIQFRABEY-GFCCVEGCSA-N 279.340 -0.185 70 20 CBID C[C@H](CO)CNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 159717214 WRBZCEJQSTZYNH-VIFPVBQESA-N 298.364 -0.121 70 20 CBID CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 160387602 SWEUYEWTZQJGAL-UWVGGRQHSA-N 258.318 -0.225 70 20 CBID Cn1cnc(-c2cccc(NC(=O)NC[C@H](O)CO)c2)n1 161458530 BWVVHGXUEQIFDS-NSHDSACASA-N 291.311 -0.043 70 20 CBID CCOCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 160378408 WQGBOIDSRJWZHJ-VHSXEESVSA-N 278.374 -0.143 70 20 CBID Cn1ncc2cnn(CCS(=O)(=O)F)c2c1=O 1336947085 IZYWIPCGFMNSAY-UHFFFAOYSA-N 260.250 -0.571 70 20 CBID CC(C)C[C@@H](CCC(=O)NCCO)C(=O)NCCO 159402745 VDHYTDBXSYEBBB-LLVKDONJSA-N 274.361 -0.354 70 20 CBID N#CCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1030966476 SMEQKCWSHWHWCR-UHFFFAOYSA-N 286.288 -0.390 70 20 CBID COC(=O)CN1CCN(c2ncccc2C(N)=O)CC1 159819642 VZUKJQFIROMORY-UHFFFAOYSA-N 278.312 -0.525 70 20 CBID C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CNCCO1 159750029 HAXLQEAONPOZHG-AEJSXWLSSA-N 276.358 -0.991 70 20 CBID N[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 160282212 YBCARJZBULKUAX-LLVKDONJSA-N 297.380 -0.085 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)OCC(=O)N2 217704452 BSULZQSXKYWALZ-VIFPVBQESA-N 294.263 -0.719 70 20 CBID COC(=O)[C@H](O)CNC(=O)c1nc2nc(C)cc(C)n2n1 217740822 WEYLPDWWCLFZHI-MRVPVSSYSA-N 293.283 -0.995 70 20 CBID CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CCCNC1 160094733 JLNBJEWESVBUIN-VHSXEESVSA-N 262.375 -0.075 70 20 CBID NS(=O)(=O)NCCNc1nccc(C(F)(F)F)n1 159597341 ZGTILRDVEKWCDI-UHFFFAOYSA-N 285.251 -0.300 70 20 CBID CC[C@@](C)(O)CNS(=O)(=O)N(C)CCOC 160282463 STUDYFSMAZMXGV-SECBINFHSA-N 254.352 -0.440 70 20 CBID CCOCCCN1CCC[C@@H](CNS(N)(=O)=O)C1 160311210 RVDUSFHANHCBHO-NSHDSACASA-N 279.406 -0.082 70 20 CBID COC[C@H](O)CNC(=O)N[C@H]1CCN(CC2CC2)C1 160681299 ADQFEZWICLXQAI-NWDGAFQWSA-N 271.361 -0.223 70 20 CBID CCN(CCCO)C(=O)CCCN1C(=O)CN(C)C1=O 160508677 BEUZXTMJCSGTSJ-UHFFFAOYSA-N 285.344 -0.109 70 20 CBID O=C(N[C@H]1COC[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1347083247 NSVPFJJOACPADP-JGVFFNPUSA-N 278.261 -0.838 70 20 CBID COC(=O)[C@H](C)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 159389323 JXDWKJAZFXRMIL-CMPLNLGQSA-N 283.372 -0.038 70 20 CBID O=C(CCCN1C(=O)CNC1=O)N1C[C@@H]2CCC[C@H](C1)N2 160329101 KTRWKACTCIGPRA-PHIMTYICSA-N 294.355 -0.329 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc2c(c1)N(C)CC2 159491322 RBKGHPZIKQMRRM-LBPRGKRZSA-N 278.308 -0.057 70 20 CBID O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 159785222 SUCUOUDGWXRXIB-MXWKQRLJSA-N 293.323 -0.390 70 20 CBID CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N 160051958 VBRUCLVRUMENQQ-DTWKUNHWSA-N 279.406 -0.196 70 20 CBID O=C1CC[C@H]2CN(CCN3CCNCC3)CC[C@@H]2N1 160331759 FRFPANJXSCXQEX-STQMWFEESA-N 266.389 -0.508 70 20 CBID CCN(C)S(=O)(=O)NC[C@@](C)(O)CN(C)C 161417839 UCILAYDOMPEWEI-SECBINFHSA-N 253.368 -0.915 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(CNC(C)=O)cc1 217710725 UCCXKMBCMJAUGQ-LBPRGKRZSA-N 294.307 -0.414 70 20 CBID O=C(NCC1(CO)COC1)c1cc(S(=O)(=O)F)c[nH]1 1123648149 HJEUZLOQHNSBPO-UHFFFAOYSA-N 292.288 -0.588 70 20 CBID CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCO 159508706 RHTPSVBOMPFMSM-NSHDSACASA-N 290.327 -0.039 70 20 CBID CNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)COC)C1 161265029 QAPURQNBPXIZPS-SECBINFHSA-N 278.374 -0.191 70 20 CBID Nc1ncncc1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1346929644 SKIWWGXUFBXREY-UHFFFAOYSA-N 299.287 -0.025 70 20 CBID CCS(=O)(=O)NC[C@@H](C)CN1CCOCC1 160396357 MKIVOXAQBPBVET-SNVBAGLBSA-N 250.364 -0.106 70 20 CBID CC1CCN(C(=O)N(CC(N)=O)CC(N)=O)CC1 160531126 GOVFESSLGXWBIC-UHFFFAOYSA-N 256.306 -0.889 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1ccco1 217686674 PHULXRBCAYWFMF-YUMQZZPRSA-N 284.268 -0.952 70 20 CBID CCNC(=O)CN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263696967 GSNJUQDFJWNKKA-UHFFFAOYSA-N 291.304 -0.119 70 20 CBID COC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1519744933 FJMFRVRINYVWLV-RXMQYKEDSA-N 278.261 -0.036 70 20 CBID CCn1cc(CN2CCNC(=O)[C@H]2CC(=O)OC)cn1 159796760 ZXSLVEGLXQUOBT-LLVKDONJSA-N 280.328 -0.234 70 20 CBID COC(=O)Cn1cc(CCN(C)[C@@H]2CCOC2)nn1 160065361 UVJWHGLYYWIWEC-LLVKDONJSA-N 268.317 -0.286 70 20 CBID COC[C@H](O)CNS(=O)(=O)c1c[nH]c(C(C)C)n1 160917612 NQJJUYOSVUYUGT-MRVPVSSYSA-N 277.346 -0.181 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(OC)cc1O 217676648 KJIWMEQRPPYBTO-JTQLQIEISA-N 269.253 -0.336 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1cn(C)nc1C 159788722 UQDJQNZAUZQATE-NSHDSACASA-N 280.328 -0.408 70 20 CBID COC[C@H](C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 160826315 BZRCMYYFNRHPJY-NSHDSACASA-N 294.417 -0.260 70 20 CBID CC[C@@H](CO)NS(=O)(=O)NCC(F)(F)F 160656441 LJTOULCXDZXBOK-YFKPBYRVSA-N 250.242 -0.256 70 20 CBID CN(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O 1123648790 MMKKBHSKMCAGAX-UHFFFAOYSA-N 264.238 -0.672 70 20 CBID CC[C@H](C)N(C)CCNCc1cn(C)c(=O)n(C)c1=O 217394091 FURDIMHCQORIPD-NSHDSACASA-N 282.388 -0.096 70 20 CBID COCCOCCNC(=O)c1cccc(=O)n1C 161130090 ORIYTARYRMERAS-UHFFFAOYSA-N 254.286 -0.222 70 20 CBID O=C(NCCN1CCNCC1)NCC1CCOCC1 218707676 NCNHTWHDMZRZIW-UHFFFAOYSA-N 270.377 -0.383 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CSCN1 160092755 BGBOHXHQYRBXIN-SFYZADRCSA-N 266.388 -0.412 70 20 CBID COCCN(C)S(=O)(=O)NC1(C)CCOCC1 161059079 QJQBLAIDMIDYOU-UHFFFAOYSA-N 266.363 -0.032 70 20 CBID CC[C@H]1CCC[C@H]1NC(=O)CNC(=O)CNC(C)=O 159515836 MESRPBQTLFFPBZ-WDEREUQCSA-N 269.345 -0.066 70 20 CBID COC(=O)C[C@H]1C(=O)NCCN1Cc1csnn1 159832138 WCGCTQMEWYIEGC-QMMMGPOBSA-N 270.314 -0.598 70 20 CBID NC(=O)[C@@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)O1 159942837 XPWBILMKQPJLJP-KCJUWKMLSA-N 289.291 -0.277 70 20 CBID COC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 216826552 FHKXXGHDCDPNDB-RKDXNWHRSA-N 254.286 -0.181 70 20 CBID CC(=O)N1CCN(C(=O)[C@H](C)N(C)C[C@H](C)O)CC1 159429859 KHZVKQFMZIJLHK-QWRGUYRKSA-N 271.361 -0.622 70 20 CBID COC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 159430208 OJPWZZQNGZIQSB-NEPJUHHUSA-N 280.324 -0.139 70 20 CBID N=C(O)OCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1519746638 YIUHEGDSKIYQAN-UHFFFAOYSA-N 279.249 -0.088 70 20 CBID CN(CC(=O)NCC(=O)N1CCCC1)C[C@H]1CCC[C@@H]1O 159835170 VFKUZNMXNCGFFP-OLZOCXBDSA-N 297.399 -0.182 70 20 CBID COC[C@@H](O)CCNC(=O)c1cccc(-n2cnnn2)c1 161494677 IJEUBQZMJCOVEO-LBPRGKRZSA-N 291.311 -0.211 70 20 CBID COC[C@H](O)CNC(=O)CN(C)[C@@H]1CCSC1 159943413 IASWLLNCBFYHGU-NXEZZACHSA-N 262.375 -0.453 70 20 CBID CN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](CN)C1CC1 160101466 QVPNDPJTDDZZQH-LLVKDONJSA-N 266.345 -0.747 70 20 CBID O=C(Cn1c(-c2cccnc2)noc1=O)N1CCNC1=O 161299038 PFCODIOEUCVZKM-UHFFFAOYSA-N 289.251 -0.550 70 20 CBID CCOCCS(=O)(=O)N[C@H]1CCN(C)C1=O 160460490 RJMGYFBAOMCZNX-QMMMGPOBSA-N 250.320 -0.827 70 20 CBID CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1354031625 HCICEUNDLOUZBM-LURJTMIESA-N 291.304 -0.073 70 20 CBID CN1CC[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O 159625356 ZPQLLOWTSFNFOD-NWDGAFQWSA-N 261.325 -0.097 70 20 CBID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC(=O)N1 1520007553 UDWUYEBUHTWDIR-LURJTMIESA-N 289.288 -0.367 70 20 CBID NC(=O)[C@H]1CC[C@@H](CN[C@@H](C(N)=O)c2ccc(F)cc2)O1 160777280 CMPOQWKWNZVOKI-QJPTWQEYSA-N 295.314 -0.025 70 20 CBID CC[C@H](CCO)NC(=O)c1cc(S(N)(=O)=O)cn1C 160977589 QXWLQGHSZMADNI-MRVPVSSYSA-N 289.357 -0.437 70 20 CBID CCOCCCN1CCC[C@H](CNS(N)(=O)=O)C1 160311083 RVDUSFHANHCBHO-LLVKDONJSA-N 279.406 -0.082 70 20 CBID COC(=O)[C@H](O)CNC(=O)CCNC(=O)c1ccco1 217686413 SFMQKRSJSRVLFQ-MRVPVSSYSA-N 284.268 -0.950 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCCN3)C2=O)cn1 159609370 KPZKSZWICKGDMF-VXGBXAGGSA-N 291.355 -0.216 70 20 CBID COCCNC(=O)CNC(=O)C1=C(C)OCCC1 160861203 WGEYUNPUFWTFSA-UHFFFAOYSA-N 256.302 -0.050 70 20 CBID COC[C@H](O)CCNC(=O)c1cccc(-n2cnnn2)c1 161494549 IJEUBQZMJCOVEO-GFCCVEGCSA-N 291.311 -0.211 70 20 CBID Nc1nccnc1C(=O)NC[C@@H](O)CN1CCCCC1 160386389 SPFCLTXZBCMAJG-SNVBAGLBSA-N 279.344 -0.365 70 20 CBID C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](O)C2)[C@H](C)CO1 161154289 AXHBFHJZDLQEAK-OPRDCNLKSA-N 264.347 -0.593 70 20 CBID CNC(=O)NC(=O)CN1CCN(Cc2ccncc2)CC1 161172635 XZGANOYRZAFRBE-UHFFFAOYSA-N 291.355 -0.345 70 20 CBID O=C(N[C@@]1(CO)CCOC1)c1cc(S(=O)(=O)F)c[nH]1 1348034305 KDMABJFQEHGMOS-SNVBAGLBSA-N 292.288 -0.446 70 20 CBID CN1N=C(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CCC1=O 160644435 XGGURJYHQPSMSX-UWVGGRQHSA-N 292.339 -0.278 70 20 CBID CS(=O)(=O)c1ncc(S(=O)(=O)Cl)cn1 97971325 WIJSLSFAKIWXPV-UHFFFAOYSA-N 256.692 -0.192 70 20 CBID CCN1CCCN(C(=O)NCC(=O)N(C)C)CC1 159544109 PNLGTHCQMFFDOL-UHFFFAOYSA-N 256.350 -0.188 70 20 CBID C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 160685070 YRRFHXYABQYLBF-BBBLOLIVSA-N 275.374 -0.723 70 20 CBID CC[C@@H](C(N)=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 159410540 WYZUERQFQSRPDU-NWDGAFQWSA-N 282.388 -0.336 70 20 CBID O=C(N[C@H]1CCOC1)N1CCN2C(=O)NC[C@H]2C1 159464897 VVAIBRBYWZDTOW-IUCAKERBSA-N 254.290 -0.806 70 20 CBID NC(=O)[C@H]1CC[C@@H](CNC(=O)NCCc2ccccn2)O1 160243520 CAVSOVDNCXHFPK-NWDGAFQWSA-N 292.339 -0.044 70 20 CBID CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)N 160051823 VBRUCLVRUMENQQ-RKDXNWHRSA-N 279.406 -0.196 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]nn1 160564866 GJQHGNARQZKCMK-SFYZADRCSA-N 287.345 -0.748 70 20 CBID CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1nocc1C 161103493 AAVIIBBCFGHMKF-MRVPVSSYSA-N 280.284 -0.341 70 20 CBID CCCCOC(=O)[C@H](C)N1CCO[C@H](C(N)=O)C1 159899629 OCUCHYTVTROQDC-UWVGGRQHSA-N 258.318 -0.096 70 20 CBID CC(=O)NCC(=O)N(C)CC(C)(C)CN1CCOCC1 159577756 IIYSBPIXZMCQJM-UHFFFAOYSA-N 285.388 -0.061 70 20 CBID CS(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)F)c1 1119293401 RWALSPOJVVAVBJ-UHFFFAOYSA-N 283.302 -0.449 70 20 CBID CNC(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351022569 KAGLIDPFRMKHGH-UHFFFAOYSA-N 277.277 -0.461 70 20 CBID CC(C)[C@H]1NC(=O)N(CCS(=O)(=O)F)C1=O 883953422 VEAQLQODNCXCSR-ZCFIWIBFSA-N 252.267 -0.138 70 20 CBID COC(=O)Cn1cc(CCN2CCC[C@H]2CO)nn1 159851509 ROSJUXFQVQPQAV-NSHDSACASA-N 268.317 -0.550 70 20 CBID COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1CNCCO1 160576961 DKBOTUJNBHBMRP-MXWKQRLJSA-N 270.329 -0.177 70 20 CBID Cc1conc1NC(=O)C(=O)N1CCN(C)CC1 160314678 SQSDVZCFCARIQI-UHFFFAOYSA-N 252.274 -0.304 70 20 CBID C[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O 864240331 SIUBDRUDGWMGCJ-LURJTMIESA-N 274.273 -0.052 70 20 CBID COC[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1345747889 LKICUHGQILSTAQ-SNVBAGLBSA-N 294.304 -0.200 70 20 CBID O=C1CC[C@@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)N1 160610522 DTADBEALSOTBFW-BBBLOLIVSA-N 265.313 -0.608 70 20 CBID COCCN(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1123830877 ZDQGIISOWXVCAX-UHFFFAOYSA-N 279.293 -0.104 70 20 CBID C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CSCN1 161218215 RUSADXIXVPXISA-YIZRAAEISA-N 278.399 -0.317 70 20 CBID CN(C)C[C@](C)(O)CNS(=O)(=O)CC1CCOCC1 161428629 BANNBUDLEOBJBX-GFCCVEGCSA-N 294.417 -0.355 70 20 CBID CC[C@H](C)OCC(=O)NCCN1CCS(=O)(=O)CC1 161119269 GBGPLZQWTZSZOO-NSHDSACASA-N 292.401 -0.352 70 20 CBID C[C@H](N)[C@@H]1CN(C(=O)C2CCN(C)CC2)CCO1 218647894 RZRNUERFJNWSGR-JQWIXIFHSA-N 255.362 -0.097 70 20 CBID C[C@H](CO)N(C)S(=O)(=O)NCC(F)(F)F 160736471 VRGLUXCEFXVOLY-RXMQYKEDSA-N 250.242 -0.304 70 20 CBID CN[C@@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 160746959 GIXMUMCBOVGBKI-WOPDTQHZSA-N 293.367 -0.018 70 20 CBID O=C(O[C@H]1CNOC1)c1cc(S(=O)(=O)F)c[nH]1 1346849647 QXEQDOIIHQHGRN-YFKPBYRVSA-N 264.234 -0.267 70 20 CBID CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H](CN)C1CC1 160014889 UHMVMAZCEDLBJA-JTQLQIEISA-N 268.361 -0.014 70 20 CBID O=C1CC[C@@H]2CN(C(=O)Cn3cncn3)CC[C@H]2N1 160643005 KVXMLVFYHIBSKA-NXEZZACHSA-N 263.301 -0.595 70 20 CBID CNC(=O)CCCN(C)S(=O)(=O)[C@H](C)COC 159395280 DKQZLZMQCCTQCH-SECBINFHSA-N 266.363 -0.191 70 20 CBID COCCN(C)S(=O)(=O)NCc1ccncc1 159569400 YCJBHDOZMRGXLF-UHFFFAOYSA-N 259.331 -0.006 70 20 CBID COC[C@@H](C)S(=O)(=O)NC[C@@H](C)CN1CCOCC1 160404283 YGMPRMRTLVEFNE-VXGBXAGGSA-N 294.417 -0.091 70 20 CBID Cn1nc(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)ccc1=O 160608074 VHOVMUBXVCMQDO-NXEZZACHSA-N 290.323 -0.479 70 20 CBID COC[C@@H](O)CCNC(=O)CNC(=O)Cc1ccccc1 160882994 WMYZQQRKJRAOQH-ZDUSSCGKSA-N 294.351 -0.141 70 20 CBID CCS(=O)(=O)N1CCN(Cc2nncn2C)CC1 160883913 BHIXMXRTNPDWCP-UHFFFAOYSA-N 273.362 -0.718 70 20 CBID CCS(=O)(=O)NCC(=O)N1C[C@H](C)OC(C)(C)C1 160484190 WKUCQBSNUVUYIR-VIFPVBQESA-N 278.374 -0.048 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3)C2=O)cn1 161141752 KQMMTVBTCMATMX-ZYHUDNBSSA-N 291.355 -0.359 70 20 CBID O=S(=O)(F)CCn1nnc(-c2ccncn2)n1 883954079 YDQAJCROAXYJIH-UHFFFAOYSA-N 258.238 -0.571 70 20 CBID CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 159397017 QVQFSSMPEJGFIV-LPEHRKFASA-N 277.390 -0.490 70 20 CBID 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KXIURYLNNRJTQD-YLWLKBPMSA-N 288.256 -0.187 70 20 CBID CN(CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[C@@H]1O 159815434 TYHJLPIWCZYLMU-MNOVXSKESA-N 269.345 -0.962 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](O)C(C)(C)C 159660959 YPXCPVUXPDOOGO-MRVPVSSYSA-N 280.390 -0.163 70 20 CBID COC(=O)[C@@H](O)CNC(=O)Cc1ccccc1OC 217684578 IZYWLKPPQGBTSR-JTQLQIEISA-N 267.281 -0.112 70 20 CBID CCNC(=O)N(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1521206060 LUFINUPXPXRZRN-UHFFFAOYSA-N 292.292 -0.021 70 20 CBID Cn1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)cn1 160657105 USZJKTIKUKNJHM-JTQLQIEISA-N 289.357 -0.514 70 20 CBID N#CCNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1166871860 UZBFBVASQVKPCY-UHFFFAOYSA-N 288.304 -0.094 70 20 CBID COC(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1347188794 GSEJAXPWORKGSZ-UHFFFAOYSA-N 278.261 -0.034 70 20 CBID Cc1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)[nH]n1 159687084 FPMJZGBENAOFRC-QWRGUYRKSA-N 250.302 -0.127 70 20 CBID C[C@@H](CO)N(C)C(=O)CCC(=O)N1CCOCC1 160538812 XFWDHOIKQYLRLA-JTQLQIEISA-N 258.318 -0.535 70 20 CBID O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CSCN1 159860046 NBBYUGNOKASJGZ-NKWVEPMBSA-N 297.302 -0.072 70 20 CBID CCN(CC(N)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1121094968 MNICKNZAXROMJP-UHFFFAOYSA-N 277.277 -0.380 70 20 CBID C[C@H](NC(=O)c1[nH]nc2ccccc12)C(=O)NCCO 159458310 OEMUJHACVLKAHN-QMMMGPOBSA-N 276.296 -0.210 70 20 CBID O=S(=O)(NCc1ccccc1CO)N1CCOCC1 159770723 PNFOVADOAVZUCI-UHFFFAOYSA-N 286.353 -0.155 70 20 CBID CC1(O)CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 161258735 IGAKCXLFUDPQHK-UHFFFAOYSA-N 290.323 -0.131 70 20 CBID O=C(NCC(=O)N1CC(O)C1)OCC(F)(F)F 161431905 OYXLUNUONNMERE-UHFFFAOYSA-N 256.180 -0.522 70 20 CBID CCC[C@H](N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 161141468 KUIKKKDBYCIBJM-QWRGUYRKSA-N 279.344 -0.231 70 20 CBID C[C@H](O)CN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O 159507420 LEOXFVICGINUPL-GXSJLCMTSA-N 252.318 -0.162 70 20 CBID O=C([C@H]1CCC[C@@H](C(=O)N2CC(O)C2)C1)N1CC(O)C1 161431205 SHCRJFGFMJLZHO-AOOOYVTPSA-N 282.340 -0.801 70 20 CBID CS(=O)(=O)N[C@H]1CCCN(CCn2ccnc2)C1 159791122 DQCADFHGXBPLGJ-NSHDSACASA-N 272.374 -0.103 70 20 CBID CN1CCN(C)[C@@H](CNc2ccc(C(N)=O)nn2)C1 218053165 LULLHKMMBAQFOM-VIFPVBQESA-N 264.333 -0.767 70 20 CBID CCOCCS(=O)(=O)N(C)CCCC(=O)NC 159405053 MWVXQXUHRGNKQO-UHFFFAOYSA-N 266.363 -0.189 70 20 CBID CN1CC[C@H](NS(=O)(=O)C[C@H]2CCCCO2)C1=O 160472810 WCLQUBNUUQSAHD-ZJUUUORDSA-N 276.358 -0.294 70 20 CBID CC(C)N1CC[C@H](NC(=O)[C@H]2CSCN2)C1=O 160037150 QCOAKWUONWIORI-DTWKUNHWSA-N 257.359 -0.226 70 20 CBID C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1353172543 CEPQTXWADXKLKT-UHFFFAOYSA-N 272.257 -0.507 70 20 CBID CN1C[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1=O 160551761 PFKWJNOFRYWBJN-GMTAPVOTSA-N 279.340 -0.408 70 20 CBID Cn1cc(S(=O)(=O)NC[C@@H](O)COCC2CC2)cn1 160657232 USZJKTIKUKNJHM-SNVBAGLBSA-N 289.357 -0.514 70 20 CBID Cc1cc(C[C@@H](C)NC(=O)[C@H]2CNC(=O)C2)n[nH]1 161151517 SQVBSRCMUBUWGV-VXNVDRBHSA-N 250.302 -0.099 70 20 CBID NC(=O)[C@H]1CC[C@H](CN[C@@H](C(N)=O)c2ccc(F)cc2)O1 160777536 CMPOQWKWNZVOKI-IJLUTSLNSA-N 295.314 -0.025 70 20 CBID CCOC(=O)c1cnn(CCS(=O)(=O)F)n1 883953899 PGIYDCWNSSYPIK-UHFFFAOYSA-N 251.239 -0.246 70 20 CBID COCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 160582189 RMFGLJIHLGWFKA-IUCAKERBSA-N 264.347 -0.533 70 20 CBID CC1(NC(=O)NCCN2C(=O)CNC2=O)CCC1 161219761 IBNOXAOVKNFXBI-UHFFFAOYSA-N 254.290 -0.220 70 20 CBID O=C1C[C@@H](C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)NC(=O)N1 216721380 OWTATKYJXWALKR-JBLDHEPKSA-N 289.291 -0.641 70 20 CBID C[C@H](NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)C(=O)N(C)C 159764906 DNEKTXNDVHUJRU-SRVKXCTJSA-N 285.388 -0.328 70 20 CBID CC[C@@H](CCO)NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O 160113916 UWLLVUPOSGCXDY-VIFPVBQESA-N 283.328 -0.419 70 20 CBID COCCC1(C(=O)N2CCO[C@H](C(N)=O)C2)CC1 161138965 HCNBNKFHPAGYLV-VIFPVBQESA-N 256.302 -0.484 70 20 CBID C[C@@H](NC(=O)c1nc(=O)[nH][nH]1)C(=O)OC(C)(C)C 160109469 SNLZBTJEYVJNCF-RXMQYKEDSA-N 256.262 -0.442 70 20 CBID O=C(NCC1CCN(CCO)CC1)c1cnccn1 160629710 PQYYBDJGQQZWHT-UHFFFAOYSA-N 264.329 -0.089 70 20 CBID CO[C@]1(CNS(=O)(=O)C[C@H]2CCCCN2)CCOC1 160675299 SCZOAVOHOTZGGL-NEPJUHHUSA-N 292.401 -0.147 70 20 CBID CC(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 161088821 WVERLWBQPLMASL-CHWSQXEVSA-N 299.415 -0.080 70 20 CBID CN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)C1CC1 161469913 GIADXUPLXKAPPS-UHFFFAOYSA-N 263.301 -0.446 70 20 CBID CCS(=O)(=O)NCc1ccc(C(=O)N2CC(O)C2)cc1 161427506 KCDUHKXFWQGCIQ-UHFFFAOYSA-N 298.364 -0.057 70 20 CBID COC(=O)[C@@H](O)CNC(=O)COc1ccc(F)cc1 217684960 FKHYURNJADFYPQ-JTQLQIEISA-N 271.244 -0.145 70 20 CBID CNS(=O)(=O)c1cc(C(=O)N2CCNCC2)c(C)o1 159408083 CYYDCLGNWPAXAS-UHFFFAOYSA-N 287.341 -0.458 70 20 CBID COC(=O)[C@@H](O)CNC(=O)c1ccc(NC(C)=O)cc1 217695330 LIZMGOKMNXHABW-NSHDSACASA-N 280.280 -0.091 70 20 CBID C[C@H]1NC(C(=O)N2CC(O)C2)=NN(c2ccccc2)C1=O 161433904 QNCDYKHVTDGQFP-SECBINFHSA-N 288.307 -0.472 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CCc1c(C)nn(C)c1C 217670596 YFTXZNVJQBETLV-NSHDSACASA-N 283.328 -0.380 70 20 CBID O=C(NNC(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 1520702557 AOAPITZZHVDWHK-UHFFFAOYSA-N 275.261 -0.156 70 20 CBID CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 159486877 SULLNGDVKYQJQR-SECBINFHSA-N 255.318 -0.504 70 20 CBID NC(=O)[C@@H]1CCCN(C(=O)CN2CCCC[C@@H]2CO)C1 159888694 KYYRUSOMCYCADU-VXGBXAGGSA-N 283.372 -0.443 70 20 CBID CN(CCNS(C)(=O)=O)C[C@@H]1CCC[C@@H]1O 159536288 GBEBRCZOVDJOPH-UWVGGRQHSA-N 250.364 -0.372 70 20 CBID COC[C@H](O)CNC(=O)[C@H](C(C)C)N1CCCC1=O 159529901 HPZLRSIFGTWCPR-PWSUYJOCSA-N 272.345 -0.243 70 20 CBID O=C(NCCCOCC1CCOCC1)[C@H]1CNCCO1 160582877 UFMMFSWLCMNHAQ-CYBMUJFWSA-N 286.372 -0.076 70 20 CBID COC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC 159430086 OJPWZZQNGZIQSB-RYUDHWBXSA-N 280.324 -0.139 70 20 CBID Cn1nncc1CN1CCN(C(=O)[C@H]2CCCO2)CC1 160966680 NAOOZQCQQVHZOQ-GFCCVEGCSA-N 279.344 -0.362 70 20 CBID O=C(CNC(=O)N1CCc2ccccc2C1)N1CC(O)C1 161426826 FZDQSMDXYYAOTQ-UHFFFAOYSA-N 289.335 -0.043 70 20 CBID O=C(NC[C@@H]1CCCN([C@@H]2CCOC2=O)C1)[C@H]1CCCN1 217046025 CIPVYKKXZCJWFL-YNEHKIRRSA-N 295.383 -0.118 70 20 CBID CON1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1347025676 NUUFMLJVHNEPBC-UHFFFAOYSA-N 291.304 -0.008 70 20 CBID CCN1CCCN(C(=O)NCCNC(C)=O)CC1 159525662 SZJYAGPCIJEXDZ-UHFFFAOYSA-N 256.350 -0.140 70 20 CBID CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 159729677 UPSJJIJJWSPIBT-SECBINFHSA-N 255.318 -0.565 70 20 CBID N[C@H]1CCC[C@H](NC(=O)CN2CSCC2=O)C1 161355935 BWYMVAFHYKPGGR-IUCAKERBSA-N 257.359 -0.095 70 20 CBID COC(=O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1348022303 FENDCDPOKGGDBI-UHFFFAOYSA-N 290.272 -0.082 70 20 CBID C[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O 1354470102 VMUMRDOKECPAGG-LURJTMIESA-N 274.273 -0.052 70 20 CBID O=C(CO)N1CCN(C(=O)NCC(F)(F)F)CC1 159835228 JAIQELGADPVGHH-UHFFFAOYSA-N 269.223 -0.605 70 20 CBID O=C1C[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)NC(=O)N1 216721508 OWTATKYJXWALKR-UMNHJUIQSA-N 289.291 -0.641 70 20 CBID Cc1c(C(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C 160653344 WAHGBUVWLOIYMC-UHFFFAOYSA-N 276.296 -0.358 70 20 CBID CCN1C[C@@H](C(=O)N(CC(N)=O)CC(C)C)CC1=O 159732333 YVYUXWRQEGFWTB-JTQLQIEISA-N 269.345 -0.175 70 20 CBID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]nn1 160564733 GJQHGNARQZKCMK-HTQZYQBOSA-N 287.345 -0.748 70 20 CBID Cc1cc(C[C@H](C)NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 161151871 SQVBSRCMUBUWGV-CBAPKCEASA-N 250.302 -0.099 70 20 CBID CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C)CCO 159916978 WWTRDEKAAGHLQR-DTWKUNHWSA-N 266.363 -0.120 70 20 CBID C[C@@H](CO)CNS(=O)(=O)c1cccc(-n2cnnn2)c1 159737213 BGYNPOZFTOPLFU-SECBINFHSA-N 297.340 -0.431 70 20 CBID CCN(C(=O)CN(C)[C@H](C)CO)[C@@H]1CCS(=O)(=O)C1 218148780 GJNHKQWMGQZWQY-GHMZBOCLSA-N 292.401 -0.665 70 20 CBID O=S(=O)(CCCF)NCC1CCN(CCO)CC1 161388026 LTAQTAZNJYCASD-UHFFFAOYSA-N 282.381 -0.030 70 20 CBID CNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 217032561 RNJUPAQNRBZZNL-RYUDHWBXSA-N 282.388 -0.687 70 20 CBID CCCN(C)S(=O)(=O)NC[C@H](O)COCC1CC1 160674493 XOJGLUPTIMOLKK-NSHDSACASA-N 280.390 -0.050 70 20 CBID Cc1cc(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)[nH]n1 159686975 FPMJZGBENAOFRC-MNOVXSKESA-N 250.302 -0.127 70 20 CBID CON(C)C(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1351946906 QPRXKVHFUMBUOX-UHFFFAOYSA-N 293.276 -0.578 70 20 CBID CCN(CC)CCNC(=O)C[C@@H]1NC(=O)NC1=O 159585395 CAMLAZKXBHGFOX-QMMMGPOBSA-N 256.306 -0.958 70 20 CBID COC[C@H](O)CNS(=O)(=O)c1cn(C)c(Cl)n1 160902404 TVOZTXYQDJJNCQ-ZCFIWIBFSA-N 283.737 -0.641 70 20 CBID COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 217692299 ZQBXUDUOYBXCMU-KOLCDFICSA-N 298.339 -0.572 70 20 CBID C[C@@H]1CN(C(=O)CN2CCO[C@H](CN)C2)C[C@@H](C)O1 160030393 CNUYOUMOXDFEFP-IJLUTSLNSA-N 271.361 -0.718 70 20 CBID COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CCN(CCO)CC1 160729457 GNZQPUDBEHAFOS-VXGBXAGGSA-N 284.356 -0.384 70 20 CBID CCN1C[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)CC1=O 160453450 KGKBMCYDVWGEPO-QWHCGFSZSA-N 297.399 -0.182 70 20 CBID O=C1CC[C@H]2CN(C(=O)CN3CSCC3=O)CC[C@H]2N1 160663879 XHYXXEDQVXCOIR-VHSXEESVSA-N 297.380 -0.354 70 20 CBID C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccn(C)n2)CC1 160755192 IZAHQDHDGQHQNA-SECBINFHSA-N 281.316 -0.523 70 20 CBID CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H](N)C1 161380289 VXOBCTHQXHRPKD-HBNTYKKESA-N 289.401 -0.204 70 20 CBID CC(C)N1CC[C@@H](NC(=O)[C@H]2CSCN2)C1=O 160037265 QCOAKWUONWIORI-RKDXNWHRSA-N 257.359 -0.226 70 20 CBID Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CSCN3)C2=O)cn1 161140347 ZRPRLWDAVZOSMI-NXEZZACHSA-N 295.368 -0.696 70 20 CBID C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(O)C1 161493899 ZZQPJICYEQPIBO-ZETCQYMHSA-N 290.366 -0.382 70 20 CBID NS(=O)(=O)NC[C@@H]1CCCN(CCOCC2CC2)C1 160308125 URWFFEJCEAJLCT-LBPRGKRZSA-N 291.417 -0.082 70 20 CBID CNC(=O)c1cccc(CCNC(=O)[C@@H]2CNCCO2)c1 160370377 SDTXYJUWJVHCIY-ZDUSSCGKSA-N 291.351 -0.307 70 20 CBID CCOCCS(=O)(=O)N[C@@H]1CCN(C)C1=O 160460362 RJMGYFBAOMCZNX-MRVPVSSYSA-N 250.320 -0.827 70 20 CBID CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H](N)C1 161441814 XNDJABAJQKISKY-RKDXNWHRSA-N 277.390 -0.300 70 20 CBID CCN(CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cnn(C)c1 161132301 MMSGCXAKDJEQSI-LLVKDONJSA-N 295.387 -0.165 70 20 CBID COC(=O)[C@@H](O)CNC(=O)CCCNC(=O)C(C)(C)C 217735953 HCXKAURQZZQIDG-VIFPVBQESA-N 288.344 -0.421 70 20 CBID N#CCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1133976499 NSNHJFPXSYIWFM-UHFFFAOYSA-N 274.277 -0.484 70 20 CBID CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc[nH]n1 160625859 ZTEARERRZHDWRB-BDAKNGLRSA-N 286.357 -0.143 70 20 CBID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](O)C1 1345747228 GZTPTOFAHGFMPZ-LURJTMIESA-N 262.262 -0.120 70 20 CBID