smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCc2cscn2)CC1 159511591 OZJHQEDOSCPGIQ-CYBMUJFWSA-N 353.492 0.928 70 20 FCID O=C(NCCCO)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 159925293 GMPXIWNOZAHENV-MRXNPFEDSA-N 371.441 0.767 70 20 FCID O=C(c1ccc(S(=O)(=O)F)cc1)N1CCS(=O)(=O)C[C@H]1C1CC1 864244146 MJUJSJUSCSENOD-ZDUSSCGKSA-N 361.416 0.994 70 20 FCID CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CC(F)(F)F)C1=O 1337789782 ZWZDFRSGLPFNLM-VIFPVBQESA-N 371.312 0.908 70 20 FCID CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@@H](O)CN1CCCCC1 160516317 KLHKEPAYDRJBJC-RTBURBONSA-N 359.470 0.923 70 20 FCID CCN(C(=O)CN1CCN(c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 161392063 OECSFTAAIDFPGF-MRXNPFEDSA-N 366.487 0.239 70 20 FCID Cn1[nH]c(C2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)CC2)nc1=N 1347339143 CTQDUGDHFVUSMF-UHFFFAOYSA-N 356.383 0.234 70 20 FCID COCc1nc2n(n1)C[C@@H](NC(=O)NC[C@@H](O)c1ccc(F)cc1)CC2 160925359 UQACOISRCMSVTL-UONOGXRCSA-N 363.393 0.911 70 20 FCID CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(CC2CC2)C1 160656864 GVSYJIQNTKMZPC-CVEARBPZSA-N 372.535 0.974 70 20 FCID CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 970676524 HJMQDMGYYSUDMZ-MNOVXSKESA-N 361.395 0.021 70 20 FCID O=C1CN(c2ccc(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)cn2)CCN1 1337724290 DUALQTLBDSPGKP-UHFFFAOYSA-N 367.362 0.256 70 20 FCID C[C@H](C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)n1cnc2ccccc21 159432918 IJMMRXZOMOHOEA-OLZOCXBDSA-N 350.444 0.995 70 20 FCID CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 160303431 WUESWVYHYAANSA-UHFFFAOYSA-N 355.398 0.810 70 20 FCID COC[C@@H](O)CCNC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 161281233 BMFYWVDJXCJKKI-LSDHHAIUSA-N 351.382 0.418 70 20 FCID N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 460098896 YGAFSEFBNAUWMN-SECBINFHSA-N 350.418 0.974 70 20 FCID Cc1cccc([C@@H](C)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 159838911 MZORYVBXSMTCOS-HIFRSBDPSA-N 352.456 0.908 70 20 FCID C[C@@H](NC(=O)Nc1cc(Br)cn(C)c1=O)[C@H]1CN(C)CCO1 160425976 ZKQDEYSFUMLKAY-BXKDBHETSA-N 373.251 0.988 70 20 FCID Cc1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)c1 161079282 LMKVHMVFBDHYJL-ZDUSSCGKSA-N 355.398 0.761 70 20 FCID C[C@H](CNC(=O)CN1CCNCC1=O)Oc1ccccc1Br 161145495 GHDTWRNTGUXTSN-LLVKDONJSA-N 370.247 0.764 70 20 FCID CC[C@@H](F)CN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1077689815 HHVIMUVGXQVVKP-GGZOMVNGSA-N 351.375 0.196 70 20 FCID O=C(NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)c1ccc(F)cc1 1348707157 IKEANMXLUXKVEY-UHFFFAOYSA-N 357.338 0.972 70 20 FCID COCCN1CCN(C(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1=O 1354862151 HRKAMEGZAZNTCM-UHFFFAOYSA-N 372.418 0.595 70 20 FCID Cc1c(/C=C/C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cnn1C 160016132 MXJABSPLIBKMIQ-AATRIKPKSA-N 359.430 0.035 70 20 FCID NC(=O)NC1(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC1 160996090 HKGNGMVISLGSBQ-UHFFFAOYSA-N 359.474 0.906 70 20 FCID O=C1NCCC[C@H]1C(=O)NCc1cccc(OCCN2CCOCC2)c1 216937653 OBVJFBSVQGFALX-QGZVFWFLSA-N 361.442 0.540 70 20 FCID CS(=O)(=O)C1(C(=O)Nc2ccc(S(=O)(=O)F)cc2)CCOCC1 460090900 JHQTZQPKYYDZNB-UHFFFAOYSA-N 365.404 0.877 70 20 FCID CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 1354032232 SGXLFJBWSLVUJJ-JTQLQIEISA-N 350.393 0.794 70 20 FCID O=S(=O)(NCC1CCN(CCO)CC1)c1cnn(-c2ccccc2)c1 161387108 FRAMHISLCGMKQZ-UHFFFAOYSA-N 364.471 0.855 70 20 FCID CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H]2CCCCN2)CC1 160009867 JBLWTLLJMMWQCD-GFCCVEGCSA-N 371.425 0.943 70 20 FCID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1cn2ccsc2n1 160569189 WZQFVAJMPWCHPE-CMPLNLGQSA-N 356.473 0.772 70 20 FCID COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3cnn(C)c3)CC1)CC2 160699706 KIZLOHKSIZGEFB-CYBMUJFWSA-N 374.449 0.005 70 20 FCID CC(C)CN1CCCC[C@H]1CNC(=O)N(C)CC(=O)N1CCOCC1 160973703 UASQCDUMKDCZQK-INIZCTEOSA-N 354.495 0.997 70 20 FCID COCCN(C(=O)NCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 217303635 RUAAIRORIQKIEC-CQSZACIVSA-N 356.444 0.911 70 20 FCID Cc1conc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 161156923 ROPSQZFWONRHKN-MRXNPFEDSA-N 372.425 0.981 70 20 FCID Cc1c(C(=O)N[C@H](C)c2ccccn2)cnc2c1c(=O)n(C)c(=O)n2C 159507422 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Cc1cc(Cl)ncc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 160394793 HTVJVXQWEGVPNM-GFCCVEGCSA-N 367.881 0.982 70 20 FCID CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 160518217 RXYXFBQQWKWSPR-INIZCTEOSA-N 368.441 0.646 70 20 FCID CO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1000528203 SWAFWEGOROWLSZ-PLKZCJTGSA-N 373.406 0.570 70 20 FCID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1 1263761341 ZIXLCBBDNSVYTQ-PSASIEDQSA-N 367.424 0.121 70 20 FCID Cc1c(NC(=O)C(=O)NCCNC(=O)C2CC2)cnn1-c1ccccc1 160042195 VQLVFMMMADVOJC-UHFFFAOYSA-N 355.398 0.762 70 20 FCID C[C@@H](CN1CCOCC1)NC(=O)N[C@@H]1CCN(C2CCCCC2)C1=O 160598820 CHNIWXZZWYUVII-GOEBONIOSA-N 352.479 0.940 70 20 FCID Cc1c(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cnn1-c1ccccc1F 161330953 RFHKZNOLEAUMMY-GFCCVEGCSA-N 359.361 0.605 70 20 FCID Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)c1 218053870 VWIYSPRNHGWDED-UHFFFAOYSA-N 360.439 0.957 70 20 FCID NC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C1CCOCC1 864242305 AZGOIDFDAIJXAZ-CYBMUJFWSA-N 358.391 0.745 70 20 FCID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCC(=O)NCC(F)F 1354953797 OUAVZMLDJYLQSH-UHFFFAOYSA-N 352.334 0.775 70 20 FCID Cc1c(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cnn1-c1ccccc1F 160139182 OGUQYIVYZQGLSY-GFCCVEGCSA-N 363.393 0.297 70 20 FCID CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 160873407 KMBPUJYXHIGBQM-MWLCHTKSSA-N 371.235 0.673 70 20 FCID O=S(=O)(F)c1ccc(S(=O)(=O)Nc2ccnc3ncnn23)cc1 848947284 FJUXFAKITXIGTK-UHFFFAOYSA-N 357.348 0.583 70 20 FCID C[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 940341278 IJCQWZCGDLJDLG-HZGVNTEJSA-N 353.322 0.515 70 20 FCID COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2C(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1262788237 WLDRZQHTHOGIKB-KKBFJBPOSA-N 374.390 0.997 70 20 FCID CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123469123 SQDISBDVFDVYJB-NSHDSACASA-N 374.438 0.345 70 20 FCID CCc1c(C(=O)NC[C@H](O)C(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 159385308 RCEKVZOZHCNONR-LBPRGKRZSA-N 362.430 0.331 70 20 FCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](CNCc2cnn[nH]2)C1 1578030638 IJNLROKNSVWNPE-SNVBAGLBSA-N 370.410 0.433 70 20 FCID CCCS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCc3[nH]ncc3C2)CC1 160267568 WWWMXIDCKPBHDD-AWEZNQCLSA-N 369.491 0.770 70 20 FCID Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)CN1CCCCC1 160565146 JXPTYJAWZHIKOI-QZTJIDSGSA-N 372.473 0.728 70 20 FCID CN1CCN(c2ccc(NC(=O)CS(=O)(=O)C(C)(C)C)nc2)CC1 160792433 ANDKJUKHPRKNKP-UHFFFAOYSA-N 354.476 0.985 70 20 FCID O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCc2ncncc2C1 218054807 ZXCNJLAMZAMASD-UHFFFAOYSA-N 350.375 0.479 70 20 FCID O=C(NC[C@@H]1CCCS1(=O)=O)N1CCCN(Cc2cscn2)CC1 160073472 WPXLMCQANGWPQT-AWEZNQCLSA-N 372.516 0.938 70 20 FCID C[C@@H]1[C@@H](NC(=O)c2ccon2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 987407084 VIKRAVDLVPPWCR-SCZZXKLOSA-N 370.362 0.694 70 20 FCID C[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1080465941 HDKNWRDVPXBRNL-UHIISALHSA-N 359.423 0.760 70 20 FCID CC[C@H](C(N)=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096029779 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C[C@@H]1CN(c2cnc(F)cn2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1042513884 JJCKDJXTWRYFPD-LDYMZIIASA-N 371.369 0.857 70 20 FCID CN1C(=O)[C@@H]2CN(C(=O)CCc3ccc(S(=O)(=O)F)cc3)C[C@@H]2C1=O 1121226312 AUIZRMDODMBJBH-BETUJISGSA-N 368.386 0.351 70 20 FCID CNC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)F)cn2)C[C@H]1c1cnn(C)c1 1550619525 BZUSCUTUCJSKGQ-QWHCGFSZSA-N 367.406 0.439 70 20 FCID C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCCN 160135099 CKEYTVYBKZSASX-SECBINFHSA-N 353.366 0.837 70 20 FCID Cn1c(=O)[nH]c2ccc(C(=O)NCCN3C(=O)c4ccccc4C3=O)cc21 160651379 YCLLJDCKLPSSGR-UHFFFAOYSA-N 364.361 0.893 70 20 FCID C[S@](=O)c1ccc(NC(=O)NCCNC(=O)c2ccn[nH]2)cc1F 161153027 QTVXLBHHBFYMJL-XMMPIXPASA-N 353.379 0.838 70 20 FCID COCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1006337416 NELRGHJUNBZCKY-UISBYWKRSA-N 359.379 0.181 70 20 FCID CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 159532224 FLPSIALVROCILC-KRWDZBQOSA-N 365.499 0.973 70 20 FCID CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCn2cccc2)cc1F 160224555 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361.391 0.972 70 20 FCID CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1346795328 CSJNIIVJFHJYRN-VIFPVBQESA-N 352.409 0.712 70 20 FCID CC(=O)N1CCN(C(=O)CN2CCC([C@@H](O)C(F)(F)F)CC2)CC1 161300700 ZCAVNHGMAIYJTQ-CQSZACIVSA-N 351.369 0.312 70 20 FCID Cn1cc(S(=O)(=O)NCCN2CCC([C@@H](O)C(F)(F)F)CC2)cn1 161499134 ZMONPTHPDDBMLO-GFCCVEGCSA-N 370.397 0.334 70 20 FCID C[C@@H]1[C@@H](NC(=O)c2cnco2)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1 989101901 GZFFHMCZFRHURP-SCZZXKLOSA-N 370.362 0.694 70 20 FCID CN1CCO[C@H]2CN(C(=O)CNC(=O)c3c(F)cccc3Cl)C[C@@H]21 159700949 UKKIDJJKLGAQGE-STQMWFEESA-N 355.797 0.750 70 20 FCID O=C(N[C@H]1CCN(CC2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 160639921 XYKIVANFJLUQLO-JKSUJKDBSA-N 350.463 0.504 70 20 FCID Cn1cc(N2CC[C@H](NC(=O)c3cccc(S(=O)(=O)F)c3)C2=O)cn1 1120944284 IZVMKHSYNRTOOC-ZDUSSCGKSA-N 366.374 0.614 70 20 FCID CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)co1 161024060 ATCPOLXCHCXUSR-BXUZGUMPSA-N 352.412 0.910 70 20 FCID CS(=O)(=O)CCCCN1CCN(CC(=O)NCc2ccccc2)CC1 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FCID O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCN(CCO)CC1 160712739 AFBCVSYLJUUNDO-UHFFFAOYSA-N 370.453 0.731 70 20 FCID CCOC(=O)C[C@@H](C)NC(=O)c1nc2ncc(Br)cn2n1 160644731 PMHUCARUKZWSHS-SSDOTTSWSA-N 356.180 0.958 70 20 FCID CC(C)(CNC(=O)Nc1ccn(CC(F)(F)F)n1)NS(C)(=O)=O 160805846 UANLSHSTULETHO-UHFFFAOYSA-N 357.358 0.895 70 20 FCID Cc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)CC2 1337039134 DQILIXNLTCZJHZ-LBPRGKRZSA-N 352.391 0.918 70 20 FCID CCc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)CN1CCOCC1)CC2 160063509 WAESCTGJZAJLOE-ZIAGYGMSSA-N 350.467 0.423 70 20 FCID CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 160518073 RXYXFBQQWKWSPR-MRXNPFEDSA-N 368.441 0.646 70 20 FCID C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 999955648 PGPDZMFRRFAAHL-YPMHNXCESA-N 371.390 0.205 70 20 FCID COC(=O)c1cc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)n(C)n1 2088594946 SGIAOXDPTZZQFQ-UHFFFAOYSA-N 358.307 0.447 70 20 FCID CC[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 159445054 SRJNBRIAOXLLLS-MRXNPFEDSA-N 360.458 0.924 70 20 FCID CC(C)CC(=O)NCCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 159526916 KCKXAJBSMNXBOG-UHFFFAOYSA-N 373.461 0.564 70 20 FCID Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cnn1-c1ccccc1 160188208 GUTAPRKNPARBQG-CQSZACIVSA-N 371.441 0.956 70 20 FCID Cn1cc(N2CCN(C(=O)C3(c4ccccc4)CCNCC3)CC2=O)cn1 161024170 FOVWYIOWSBYBLN-UHFFFAOYSA-N 367.453 0.917 70 20 FCID CC(C)CCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1220367350 UTYIOSAHAKUVPR-KGLIPLIRSA-N 361.439 0.884 70 20 FCID Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)COCC1CC1 159409453 CTSSDBCLBRYEDJ-IAGOWNOFSA-N 359.430 0.669 70 20 FCID NC(=O)[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2F)CCO1 159899955 YKUSLVNWCGDGGR-WDEREUQCSA-N 360.183 0.301 70 20 FCID Cc1cc(-n2cncn2)ccc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O 160477063 UNKXUKZCHKLYEE-CQSZACIVSA-N 363.443 0.730 70 20 FCID C[C@H](C(=O)NCC1CCN(CCO)CC1)n1nnc(-c2ccccc2)n1 160559417 JLJISBURLRHQNZ-CQSZACIVSA-N 358.446 0.722 70 20 FCID CC[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 161111584 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CC[C@H](C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)N(C)C 159966329 AHDPKOBXGQXXFE-UMVBOHGHSA-N 351.451 0.798 70 20 FCID CC(C)S(=O)(=O)CCCN1CCCC[C@@H]1CCNS(C)(=O)=O 160921750 NXUJSVCMGUQIEQ-CQSZACIVSA-N 354.538 0.994 70 20 FCID CS(=O)(=O)N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)F)cc2)C1 864244151 MMVFGRMCCMEQED-JTQLQIEISA-N 350.393 0.109 70 20 FCID CO[C@@H]1CN(CCCF)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1082143811 GHHOUCQQZNKHKD-VXGBXAGGSA-N 351.375 0.462 70 20 FCID O=C(CCc1ccc(S(=O)(=O)F)cc1)NCCS(=O)(=O)C1CC1 1121128437 MYNYQNBLIBHOET-UHFFFAOYSA-N 363.432 0.971 70 20 FCID COc1cc(C2(C(=O)NCCN3CCS(=O)(=O)CC3)CC2)ccc1C 160096969 GTYNSAANKMDXGX-UHFFFAOYSA-N 366.483 0.882 70 20 FCID CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccnn3)CC2)cs1 160219394 NDQHEVSLQRSMOO-UHFFFAOYSA-N 352.441 0.904 70 20 FCID Cc1nn(C)c2ncc(C(=O)NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)cc12 160426878 HKYIIQGFMDVGIA-RISCZKNCSA-N 365.459 0.724 70 20 FCID Cc1cccc(N2CCN(CCC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)c1 161364194 VJNSMDOYBUYHMD-ROUUACIJSA-N 374.485 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365.356 0.650 70 20 FCID CC[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 161111639 WLEBHKDGMHZJSY-STQMWFEESA-N 361.446 0.861 70 20 FCID CCS(=O)(=O)c1cccc(CC(=O)NC[C@@H]2CN3CCN2CC3)c1 161315860 OJXMVYAEPIBYEJ-OAHLLOKOSA-N 351.472 0.139 70 20 FCID C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N(C)C 838087152 AGETWQUYMPWGFG-SECBINFHSA-N 360.363 0.095 70 20 FCID C[C@@H]1CN(Cc2ccon2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1080458328 SUFQKFPAOOQKTL-NOZJJQNGSA-N 356.379 0.911 70 20 FCID CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1 1263716444 CGCBZFIPIHAPRY-NSHDSACASA-N 362.379 0.856 70 20 FCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(c2cc(F)ncn2)CC1 1347149153 RQVILRGOHPIMPI-UHFFFAOYSA-N 357.342 0.564 70 20 FCID O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1 1528227594 QJMBMCIRKPRUKO-GXFFZTMASA-N 360.407 0.970 70 20 FCID CCN(CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O 1262673566 SYSHFXPJSCGCDB-UHFFFAOYSA-N 355.413 0.074 70 20 FCID C[C@H](O)C[C@@H](CNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1)c1ccccc1 159880897 YSRAXUZZICPMEO-AAEUAGOBSA-N 368.393 0.896 70 20 FCID C[C@@H]1CN(Cc2ccnn2C)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1080458264 OVKYFEUQSUDJAR-QMTHXVAHSA-N 369.422 0.657 70 20 FCID O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc(S(=O)(=O)F)c[nH]1 1349233489 FVWOWBMNDMRGJN-SNVBAGLBSA-N 360.338 0.982 70 20 FCID CO[C@H]1C[C@H](C(=O)N2CCCC2)N(c2ccc(S(=O)(=O)F)cn2)C1 1550622446 MWIUTORGSLBDQA-WCQYABFASA-N 357.407 0.956 70 20 FCID O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1 1006337460 FPCFSOXBHSCYAB-XWIASGKRSA-N 355.391 0.945 70 20 FCID O=C(C=C1CCC1)N[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1O 1023370109 HDKJNLXYAMXHGQ-CHWSQXEVSA-N 371.390 0.085 70 20 FCID CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1123616157 FZGPJQZBTFEURD-BDAKNGLRSA-N 352.409 0.759 70 20 FCID C[C@@H](O)CCCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](C)C1 1208646384 JTIURUMPMFAQOK-JTNHKYCSSA-N 361.439 0.884 70 20 FCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 1336919793 DESMIJFWUNTJKV-VIFPVBQESA-N 350.393 0.465 70 20 FCID CN1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cccc3)c2)CC1 160140148 WIMQMIDZTKULRN-UHFFFAOYSA-N 369.469 0.990 70 20 FCID CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CN(C)[C@@H]2CCSC2)CC1 161000831 RJOKATHGDHFYFC-CABCVRRESA-N 354.520 0.189 70 20 FCID CNC(=O)[C@H](C)NS(=O)(=O)c1cc(N(C)C)ccc1Br 161025578 DDTZVFMCBCSQHY-QMMMGPOBSA-N 364.265 0.928 70 20 FCID NC(=O)c1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)s1 460093878 MKMLEQLMUWPOGX-UHFFFAOYSA-N 365.389 0.701 70 20 FCID C[C@@H](OC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)NC(=O)NC1CC1 838087716 HOBKJRVLCJRPDN-MRVPVSSYSA-N 358.347 0.878 70 20 FCID CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)F)c(F)c1 857674882 UGCQLRVGXJWWRC-JTQLQIEISA-N 368.383 0.846 70 20 FCID CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O 1338260717 NKKHUIGTHDSDET-RTHLEPHNSA-N 372.378 0.123 70 20 FCID C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC[C@@H]1N1CCN(C)CC1 1349233520 GEBIJVLANWMLGJ-WFASDCNBSA-N 372.466 0.771 70 20 FCID CCO[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1CNC(C)=O 983324170 BQWSQXJXRJJEHY-ZWNOBZJWSA-N 361.395 0.286 70 20 FCID CN(C)C[C@](C)(O)CNS(=O)(=O)c1cnn(Cc2ccccc2)c1 161424782 JDGSKNHUEPUQTR-MRXNPFEDSA-N 352.460 0.522 70 20 FCID COCCN1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1=O 160224663 BWTCZSXCVRRCMB-QGZVFWFLSA-N 362.474 0.196 70 20 FCID CN(CC(=O)N1CCC(C(=O)N2CCCC2)CC1)C[C@@H]1CCC[C@@H]1O 159641907 SLWLWZKFIQXRJA-IRXDYDNUSA-N 351.491 0.940 70 20 FCID Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3CO)ccc21 159743211 DXWBSDZTUATAPJ-UHFFFAOYSA-N 361.423 0.848 70 20 FCID COCCS(=O)(=O)CC(=O)Nc1ccc(C)c(S(=O)(=O)F)c1 857675624 VGJYAVVWQKBUKG-UHFFFAOYSA-N 353.393 0.653 70 20 FCID COCCO[C@H]1COCC[C@H]1NC(=O)c1ccc(S(=O)(=O)F)cc1 864241363 SYAMUGRVTTZXIW-KGLIPLIRSA-N 361.391 0.895 70 20 FCID CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)F)cc1 865210009 OEBXRWPYRACFRZ-UWVGGRQHSA-N 374.390 0.531 70 20 FCID CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1ncccc1F 159841169 QVCSFNFIWFMZFZ-OAHLLOKOSA-N 351.426 0.963 70 20 FCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H]1CNC(=O)[C@@]12COC[C@@H]1C2 950346703 NARMPWACMSXBCK-YHAQOWFVSA-N 371.390 0.040 70 20 FCID COCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1000527108 NELRGHJUNBZCKY-QRTLGDNMSA-N 359.379 0.181 70 20 FCID CNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1096029849 UKVYVZJXZMFJLC-PLKZCJTGSA-N 372.422 0.143 70 20 FCID O=S(=O)(NC[C@H](O)COCC1CC1)c1cnn(-c2ccccc2)c1 160657899 HWBZXOXWBFJLQM-HNNXBMFYSA-N 351.428 0.938 70 20 FCID C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC([C@H](O)C(F)(F)F)CC1 161471487 WFDMLRRDXXSJTI-USWWRNFRSA-N 372.409 0.313 70 20 FCID CN(C)S(=O)(=O)CCCOC(=O)c1ccc(S(=O)(=O)F)cc1 838088502 YEBZGAAXNIWGLD-UHFFFAOYSA-N 353.393 0.783 70 20 FCID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NC(=O)c1cc[nH]c1 959676424 JOMFBOXZCGKUKF-NOZJJQNGSA-N 368.390 0.892 70 20 FCID C[C@@H]1CN(Cc2cnn(C)n2)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1080458259 OLEGGTLROXTEJN-NOZJJQNGSA-N 370.410 0.052 70 20 FCID Cc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)F)cc1)CC2 1337039132 DQILIXNLTCZJHZ-GFCCVEGCSA-N 352.391 0.918 70 20 FCID Cn1c(=O)c2cc(NC(=O)NCc3ncccc3F)cnc2n(C)c1=O 160057295 UEOHHWDSCBBOKL-UHFFFAOYSA-N 358.333 0.488 70 20 FCID O=S1(=O)CCCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1 217747097 KWDAUDDVZUPVII-UHFFFAOYSA-N 369.877 0.858 70 20 FCID O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1CCN2C(=O)NC[C@@H]2C1 159403691 HLYHMGGJLJHSEQ-NWDGAFQWSA-N 364.837 0.733 70 20 FCID COCCN(CCC(=O)O)C(F)(F)COS(=O)(=O)C(F)(F)F 1777210083 SCERADMVOWHURR-UHFFFAOYSA-N 359.269 0.869 70 20 FCID Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2 159800320 PUMRCIDEXLLCSP-RTXFEEFZSA-N 356.448 0.311 70 20 FCID C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NC[C@@H]1CCN(C)C1)C2=O 160656393 FMUOGMFFUFRWPV-MCIONIFRSA-N 350.463 0.801 70 20 FCID C[C@H](C(=O)NC[C@@H](O)CN1CCCCC1)S(=O)(=O)c1ccc(F)cc1 160693449 VQCAORLCYMWOEU-UKRRQHHQSA-N 372.462 0.951 70 20 FCID CC[C@H](C)[C@H](NC(=O)CN1CCN(Cc2ccncc2)CC1)C(=O)OC 161215486 VWPTXEOUWJYRAJ-YJBOKZPZSA-N 362.474 0.903 70 20 FCID CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 161282305 OFIBYGZFZAZPET-CZUORRHYSA-N 354.472 0.858 70 20 FCID COC[C@@H](O)CCNC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 161281704 XDIDFUBBVQNJPU-LSDHHAIUSA-N 351.382 0.418 70 20 FCID NC(=O)[C@@H]1CC[C@H](CNC(=O)CCN2CCN(c3ccccc3)CC2)O1 161429934 GFJBGSCFYUXTOV-SJORKVTESA-N 360.458 0.348 70 20 FCID COC(=O)c1cn([C@H]2CCN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)nn1 1262733419 RNHYFYFDEDGZKO-QMMMGPOBSA-N 371.350 0.138 70 20 FCID O=C(Cc1ccc(S(=O)(=O)F)cc1)NC[C@@H]1CCCCS1(=O)=O 1337346723 ZXNZBFDEOADUHZ-ZDUSSCGKSA-N 363.432 0.971 70 20 FCID Cc1c(CNC(=O)NCc2ccc(N3CCN(C)CC3)nc2)cnn1C 159463010 NPAIXXBBYQKKNV-UHFFFAOYSA-N 357.462 0.875 70 20 FCID O=C(O)Cn1cccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)c1=O 1595156288 HSGJMEWPCIAWHG-UHFFFAOYSA-N 354.315 0.843 70 20 FCID C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCS(=O)(=O)F)C1=O 883953182 KVXVYBOXBLTGFW-OAHLLOKOSA-N 372.374 0.914 70 20 FCID O=C(NC[C@H]1CCN1C(=O)[C@@]12COC[C@@H]1C2)c1cc(S(=O)(=O)F)c[nH]1 952163882 GLFPNAJUQRJLEV-WMFXKJRFSA-N 371.390 0.040 70 20 FCID Cc1nccnc1N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1354883737 CSULBSQFRPNPKI-UHFFFAOYSA-N 353.379 0.734 70 20 FCID Cc1c(NC(=O)C(=O)NCCN2CCOCC2)cnn1-c1ccccc1 159953315 JELOHYLMIAJOGR-UHFFFAOYSA-N 357.414 0.568 70 20 FCID Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCCc3sccc32)n(C)c1=O 160406878 WOLDMIRFKOSKFV-NSHDSACASA-N 373.438 0.689 70 20 FCID CCS(=O)(=O)C[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)F)cc1 1121105034 PJHMUVYZUQZKSE-JTQLQIEISA-N 351.421 0.827 70 20 FCID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCS(=O)(=O)CC1CC1 1337302902 IIHSHBKULNFNGO-UHFFFAOYSA-N 363.432 0.828 70 20 FCID CCS(=O)(=O)CCNC(=O)CCc1ccc(S(=O)(=O)F)cc1 1348921094 APIYYTHLFYWZHM-UHFFFAOYSA-N 351.421 0.828 70 20 FCID O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(S(=O)(=O)F)c[nH]1 1120866634 ULUUCJUHDXUIIA-UHFFFAOYSA-N 368.390 0.835 70 20 FCID CC(C)c1noc(CCC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 160369653 JUAANUYUUXAANG-NEPJUHHUSA-N 358.464 0.960 70 20 FCID COC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(S(=O)(=O)F)cc1 1337446636 AEGHLYQYNZHWFM-GFCCVEGCSA-N 359.375 0.678 70 20 FCID COC(=O)[C@]1(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)CCOC1 1349436928 SBXGAMGLEBGACY-HNNXBMFYSA-N 359.375 0.726 70 20 FCID N[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 160202282 FRXDRVYDLSBLSU-GFCCVEGCSA-N 373.425 0.925 70 20 FCID CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1c1nccs1 160507190 OTJMIJBADCXEJZ-NEPJUHHUSA-N 358.489 0.652 70 20 FCID NS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1 1527340927 KQCZVUSEZRXQDW-UHFFFAOYSA-N 361.376 0.250 70 20 FCID C[C@H](C(=O)Nc1cccc(S(=O)(=O)F)c1)n1cnc(-c2nn[nH]n2)n1 1589018795 PEVNHEGWURWKAR-SSDOTTSWSA-N 366.338 0.316 70 20 FCID Cc1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)ccc1-n1cncn1 159711491 IHSNDFRWMZBLON-ZDUSSCGKSA-N 363.443 0.587 70 20 FCID CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](O)CN1CCCCC1 159927702 FFHGRXHWNGSLAC-GOEBONIOSA-N 351.447 0.997 70 20 FCID O=C1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CN1 217228482 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CCCNC(=O)CN1CCC(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)CC1 160127007 WPSHRHMOMVBCPK-OAHLLOKOSA-N 362.478 0.557 70 20 FCID CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 160352033 GACKUBNNFCVCJS-CHWSQXEVSA-N 363.443 0.715 70 20 FCID CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cnc2ccc(C)cn12 160611463 IMLSUNJKMZMJNC-CQSZACIVSA-N 364.471 0.768 70 20 FCID C=CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1083196421 RJGNWJDWRRJRCR-UONOGXRCSA-N 357.407 0.774 70 20 FCID COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3ccncc3)CC1)CC2 160622159 DMTGRXXFMFKAOJ-AWEZNQCLSA-N 371.445 0.666 70 20 FCID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NCc1cnn(C)c1 1082749684 RDXFMSNFKUZCDM-QMTHXVAHSA-N 369.422 0.657 70 20 FCID O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)N1C[C@@H]2CCC[C@H](C1)N2 159813155 WXJIAQZTINXOTH-TXEJJXNPSA-N 373.425 0.986 70 20 FCID C[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 160091930 HYCGLWMRNZAZIT-DOMZBBRYSA-N 362.455 0.825 70 20 FCID CS(=O)(=O)C1(CNC(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1 1340722238 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Cc1cccc([C@H](NC(=O)c2cn(CC(N)=O)nn2)c2ccccn2)c1 160214690 SDUXSGFQJQJXQA-KRWDZBQOSA-N 350.382 0.986 70 20 FCID CC(C)CCn1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)nn1 160487355 WFTWRRPZZKBIRN-STQMWFEESA-N 357.480 0.772 70 20 FCID Cc1conc1NC(=O)C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 161394753 HXJPINCMOFQADW-UHFFFAOYSA-N 360.345 0.932 70 20 FCID O=C(NCc1ccc(-n2cncn2)nc1)c1cc(S(=O)(=O)F)c[nH]1 1527341996 VXDIUNIUXJFFJY-UHFFFAOYSA-N 350.335 0.579 70 20 FCID O=C(O)Cn1cc(C(=O)Nc2ccc(F)c(CS(=O)(=O)F)c2)nn1 1595145244 YQBHEULPPGBDNZ-UHFFFAOYSA-N 360.298 0.553 70 20 FCID Cc1cccc(N2CCN(CCCNC(=O)C3(NC(N)=O)CC3)CC2)c1 160091052 CUISJUCQYMWBTM-UHFFFAOYSA-N 359.474 0.824 70 20 FCID O=C(NC[C@H]1CC(=O)N(C2CC2)C1)N1CCN(Cc2ccccn2)CC1 161178283 UEHYYBJVHVLQDX-OAHLLOKOSA-N 357.458 0.920 70 20 FCID Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](CO)CC(C)C 161280983 XFJFYLUZPWWHOW-CYBMUJFWSA-N 361.446 0.901 70 20 FCID CSC[C@@](C)(O)CNC(=O)CCNS(=O)(=O)c1cccs1 217679944 WHNCIVYEDNUSBW-LBPRGKRZSA-N 352.503 0.647 70 20 FCID 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COC[C@@](C)(CC(=O)O)NC(=O)c1ccc(S(=O)(=O)F)c(OC)c1 1606783798 AUJQMEXIHBWIMN-CQSZACIVSA-N 363.363 0.963 70 20 FCID COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)c2cc(S(=O)(=O)F)c[nH]2)O1 1262788240 WLDRZQHTHOGIKB-STRQVWJDSA-N 374.390 0.997 70 20 FCID CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263761085 RKJKXXIOKBCIOQ-DDTOSNHZSA-N 359.423 0.997 70 20 FCID CNC(=O)CN1CCC(NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 160590393 NMZBKPXNDSCBMO-UHFFFAOYSA-N 371.445 0.814 70 20 FCID CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1c(C)noc1C 159989608 OMVLKVCPBBTAJC-GWCFXTLKSA-N 369.447 0.959 70 20 FCID CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)C1 161427609 PZHUPUCZQQWJFT-OAHLLOKOSA-N 369.425 0.997 70 20 FCID COC(=O)CCN1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)F)cc2)C1=O 849794939 WKGNCKWAZRPYRH-GFCCVEGCSA-N 373.358 0.666 70 20 FCID C[C@@H]1CN(c2nccnc2F)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1042513815 FJSDYMDVRLZYRF-LDYMZIIASA-N 371.369 0.857 70 20 FCID 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Cn1cccc1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1123826530 VGTMKTHVKCNYIR-UHFFFAOYSA-N 368.390 0.610 70 20 FCID CN1CCC(N(C)CCN(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1 1346340036 CSUURHSKYYWNBS-UHFFFAOYSA-N 360.455 0.771 70 20 FCID CN1CCC(N2CC[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)C2)CC1 1351024451 WPMSUKMAEINMDE-NSHDSACASA-N 358.439 0.571 70 20 FCID CN(C)CC(=O)N1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1 159683252 AAOSRKONTLYOHZ-UHFFFAOYSA-N 360.389 0.513 70 20 FCID C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(CN)o3)cn2)C[C@@H](C)O1 160710550 IUMLVZLSFLLARQ-TXEJJXNPSA-N 361.402 0.823 70 20 FCID CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 160752067 GUFSMBSIIHHVNF-KRWDZBQOSA-N 365.522 0.666 70 20 FCID C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NC(=O)c1ccon1 959672435 CMVBYCNFMDJQGZ-PRHODGIISA-N 370.362 0.551 70 20 FCID C[C@H](C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1000526189 FVFJGPQRYDIAKD-PLKZCJTGSA-N 368.390 0.694 70 20 FCID C=CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCS(=O)(=O)C1 1263696924 DZHRNSUGUFQLFP-VIFPVBQESA-N 350.393 0.488 70 20 FCID O=C(Cc1ccc(S(=O)(=O)F)cc1)NCCC(=O)N1CCOCC1 1354911041 LJAFUJGIYCRXJT-UHFFFAOYSA-N 358.391 0.252 70 20 FCID CN(C)[C@@H](CNC(=O)CN(CCS(C)(=O)=O)C1CC1)c1ccccc1 159493678 VGXBGBDYDBFOLT-KRWDZBQOSA-N 367.515 0.915 70 20 FCID CN(C)[C@H](CNC(=O)CN1CCN(c2nccn2C)CC1)c1ccccc1 159416233 JTILZLMWGMQBNI-GOSISDBHSA-N 370.501 0.961 70 20 FCID O=C(CN1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1)NC1CC1 159788157 JWVKLZUSZZXYNG-UHFFFAOYSA-N 354.414 0.304 70 20 FCID Cc1ccc(-c2nnn(CC(=O)NC[C@@H](O)CN3CCCCC3)n2)cc1 160001680 VMZAQXDXDNWVKK-MRXNPFEDSA-N 358.446 0.612 70 20 FCID CCc1n[nH]c(=O)c(CNC(=O)N2CCN(c3cnccn3)CC2)c1CC 160433823 KEMYTOWODZKFRC-UHFFFAOYSA-N 371.445 0.717 70 20 FCID CS(=O)(=O)C1(C(=O)Nc2cccc(S(=O)(=O)F)c2)CCOCC1 460089472 FYSZGYZJIJGNJR-UHFFFAOYSA-N 365.404 0.877 70 20 FCID O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(S(=O)(=O)F)c[nH]1 1593161870 FEZOCCPRPVNHSL-UHFFFAOYSA-N 351.323 0.610 70 20 FCID COCc1ccc([C@H]2CCCN2C(=O)CN2CCS(=O)(=O)CC2)o1 161494124 MJOBOTSQCRLZPX-CQSZACIVSA-N 356.444 0.820 70 20 FCID C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1C(=O)c1cnon1 990016406 PUXBSPZNNZTORC-APPZFPTMSA-N 371.350 0.089 70 20 FCID COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1 1338944926 UPADOSHQGUTTJN-CMPLNLGQSA-N 350.368 0.223 70 20 FCID CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ncn(-c2ccccc2)n1 159756813 BLTNQMMXFUYBBR-GXTWGEPZSA-N 363.443 0.715 70 20 FCID O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)N1CCCNCC1 160847086 ONCMNYBEJWAFKQ-UHFFFAOYSA-N 357.389 0.981 70 20 FCID O=S(=O)(F)c1ccc(S(=O)(=O)N2CCc3c(O)ncnc3C2)cc1 864241549 WZQUHYPYBSCJBA-UHFFFAOYSA-N 373.387 0.587 70 20 FCID CN(C[C@@H](O)CN1CCOCC1)[C@@H]1CCCN(c2ccccc2F)C1=O 160901036 VFGVNFIXSKXJIJ-CRAIPNDOSA-N 365.449 0.946 70 20 FCID CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 159741333 ZDSOABPKYGWPLU-OLZOCXBDSA-N 366.368 0.990 70 20 FCID CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H](O)CN2CCCCC2)nn1 159935507 YWWNUEHKFIEVOQ-CYBMUJFWSA-N 351.451 0.470 70 20 FCID COCCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1 1099034919 GZIQHIJSGPFBER-NHYWBVRUSA-N 359.423 0.904 70 20 FCID Cc1cc(Br)cn(CC(=O)NCC(=O)NC(C)(C)C)c1=O 161037220 GKDNFWYCOSJSTM-UHFFFAOYSA-N 358.236 0.950 70 20 FCID CN1CCN(Cc2cccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)c2)CC1 161507166 AAMWGHFPTHONKM-IRXDYDNUSA-N 360.458 0.197 70 20 FCID COC(=O)[C@@]1(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)CCOC1 1349436931 SBXGAMGLEBGACY-OAHLLOKOSA-N 359.375 0.726 70 20 FCID CCc1n[nH]c(=O)c(CNC(=O)Cn2nc3ccccn3c2=O)c1CC 160145005 GMVQCPSXTCGNTJ-UHFFFAOYSA-N 356.386 0.021 70 20 FCID O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCO[C@@H]2CN(CC3CCC3)C[C@@H]21 1083196400 QHRXODVNBAFWAX-LSDHHAIUSA-N 371.434 0.998 70 20 FCID CCOC(=O)[C@H](COC)N(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC1 1337361975 XDPQYRGDKOZLQD-LBPRGKRZSA-N 362.379 0.856 70 20 FCID C[C@@H](C[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCc1cnn[nH]1 1575513773 HQJWNUBMHISKIB-IUCAKERBSA-N 358.399 0.478 70 20 FCID Cc1cccc([C@@H]2CCCN2CC(=O)NCCCN(C)S(C)(=O)=O)n1 159780994 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