smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(Cl)c1cc(Br)cc(S(=O)(=O)Cl)c1 142733100 CQBKTEIGMRJTIE-UHFFFAOYSA-N 354.030 2.304 70 40 FEIB Cn1cccc1[C@H](O)CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C 217938299 WZEBLQMPOUMYSP-GOSISDBHSA-N 356.401 2.418 70 40 FEIB COc1ccc(Br)c(C(=O)N2CC[C@H](n3ccnn3)C2)c1 217687134 LDJRKTLZDSGJIY-JTQLQIEISA-N 351.204 2.136 70 40 FEIB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 217035128 IQZVBPCDAAPTKA-QGZVFWFLSA-N 353.894 2.251 70 40 FEIB CCOC(=O)c1cc(S(=O)(=O)Cl)ccc1I 59262064 VGCZWVUFKGULJG-UHFFFAOYSA-N 374.583 2.395 70 40 FEIB in-vitro COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 216687267 OGUQOQOGRYEXGE-OAHLLOKOSA-N 352.847 2.200 70 40 FEIB CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc(C2CC2)nc(C)n1 159987826 CPPPJWDKRSTTKF-OAHLLOKOSA-N 366.487 2.195 70 40 FEIB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 216910239 PVDUDNGKMNKGJN-INIZCTEOSA-N 352.438 2.292 70 40 FEIB COCCN1C(=O)CS[C@H]1c1cn(Cc2cccc(Cl)c2)nn1 216687208 ANIGZPXCAVOKMQ-HNNXBMFYSA-N 352.847 2.200 70 40 FEIB COC(=O)c1cccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)c1 216780689 KFIVYQCPYJIQSI-SFHVURJKSA-N 368.393 2.237 70 40 FEIB Cc1nc(C(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)cs1 217837932 WBDGNSKTTJEDSE-LBPRGKRZSA-N 370.438 2.386 70 40 FEIB Cc1ccc(-n2cc(S(=O)(=O)Cl)cn2)cc1S(=O)(=O)Cl 100631278 QTNDIXBFGVRJFX-UHFFFAOYSA-N 355.224 2.036 70 40 FEIB in-vitro C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)C1 100619448 NPLZZEGSEGSKMF-GHMZBOCLSA-N 351.877 2.281 70 40 FEIB COCCC1(C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCCC1 159778285 VLPFVDDLVAPDEW-UHFFFAOYSA-N 360.454 2.274 70 40 FEIB COc1ccccc1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 218401488 YXECEFRHPMCWCZ-UHFFFAOYSA-N 362.451 2.429 70 40 FEIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@H]1CCOC1 217489657 MJEHETOTRAUXQT-ZDUSSCGKSA-N 351.366 2.092 70 40 FEIB Cc1cc(O[C@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)cc(=O)n1C 217773015 KCLFCCOAIUHPCK-KRWDZBQOSA-N 365.433 2.328 70 40 FEIB Cn1cccc1[C@@H](O)CCNC(=O)c1cc(-c2ccc(F)cc2)nn1C 217938380 WZEBLQMPOUMYSP-SFHVURJKSA-N 356.401 2.418 70 40 FEIB C[C@@](O)(CNC(=O)C(=O)Nc1cccnc1)c1cc2ccccc2s1 217517530 UYTMNEPLOJFQRX-GOSISDBHSA-N 355.419 2.259 70 40 FEIB CC(=O)c1ccc(S(=O)(=O)NCCn2ccnc2-c2ccccn2)cc1 217864439 MGZARHAWPALQSC-UHFFFAOYSA-N 370.434 2.126 70 40 FEIB CC(C)n1cnc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 217999807 SAUXLBMHTCXELW-KRWDZBQOSA-N 363.439 2.396 70 40 FEIB COC(=O)c1ccc(C(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)cc1 218008040 UAPYUKIQOPCLPT-OAQYLSRUSA-N 369.417 2.436 70 40 FEIB COc1cccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)c1 218300727 WNIALYHZOYYLBR-INIZCTEOSA-N 367.361 2.201 70 40 FEIB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 217956787 UMDQKMSWEDOFHB-UAGQMJEPSA-N 355.438 2.493 70 40 FEIB COC(=O)c1cc(S(=O)(=O)NCCc2ccc(F)cc2)ccc1C 217401419 RSDQNOPEKLOIHU-UHFFFAOYSA-N 351.399 2.442 70 40 FEIB O=S(=O)(F)c1cc(S(=O)(=O)Nc2ccccc2F)ccc1F 1776011186 JHOGRJHMWASNBB-UHFFFAOYSA-N 351.327 2.424 70 40 FEIB Cc1noc(-c2c(NC(=O)c3ccc(=O)[nH]c3)sc3c2CCOC3)n1 217962919 MLTJUDMTCYSCKM-UHFFFAOYSA-N 358.379 2.120 70 40 FEIB COc1ccc(-c2noc(CNC(=O)[C@@H]3COc4ccccc4O3)n2)cc1 218300846 VLNSCOFNWNXWFC-INIZCTEOSA-N 367.361 2.201 70 40 FEIB Cc1ncc(-c2nnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)cn1 216658865 CUHYCRHFTKSUQH-CQSZACIVSA-N 350.382 2.250 70 40 FEIB O=C(CSCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217608652 DDNNAYVDDWJMSG-UHFFFAOYSA-N 370.478 2.089 70 40 FEIB O=C(c1cccc(Br)c1)N1CC[C@H](N2C(=O)CSC2=O)C1 217785376 JQFVCFYLCFLFIP-NSHDSACASA-N 369.240 2.359 70 40 FEIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)CCSc1ccccc1)C2 217677639 DURZYQDEKGOINE-GJZGRUSLSA-N 368.524 2.240 70 40 FEIB CC(=O)OC(C)(C)C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218285866 ODQXSHQPIMCGMT-CQSZACIVSA-N 359.382 2.003 70 40 FEIB COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 217791127 LJXCADZIAZYZBJ-UHFFFAOYSA-N 374.453 2.229 70 40 FEIB COc1ccc(CCCNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 218566737 BGUOBEOGPKYBPF-UHFFFAOYSA-N 362.451 2.429 70 40 FEIB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(NC(=O)N2CCOCC2)cc1 217956869 UMDQKMSWEDOFHB-OIISXLGYSA-N 355.438 2.493 70 40 FEIB COCc1nc2n(n1)C[C@H](Nc1cc(C)nc(-c3cccnc3)n1)CC2 161344867 JUPNNZUUWIFNBU-CQSZACIVSA-N 351.414 2.012 70 40 FEIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 217831002 LPDBJYLOTWIERB-CQSZACIVSA-N 366.425 2.268 70 40 FEIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)N3CCNC3=O)C2)n1 217834353 YOKLJPBGKZMBCH-CQSZACIVSA-N 369.425 2.445 70 40 FEIB CN1CCC(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 217021527 YIRNULXNIWPZCJ-UHFFFAOYSA-N 373.906 2.173 70 40 FEIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1 217714976 QHAUMDGSWYJDRN-UEABVUSTSA-N 369.352 2.047 70 40 FEIB COC(=O)c1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 216852414 CTDHHVRMHOXCJD-UHFFFAOYSA-N 373.482 2.481 70 40 FEIB COC[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891358 LBYFQLOUPVRJIZ-GFCCVEGCSA-N 360.435 2.257 70 40 FEIB COC1CCN(C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC1 217756015 GXSCZPZTZUINFY-UHFFFAOYSA-N 354.454 2.345 70 40 FEIB Cn1cccc1[C@@H](O)CCNS(=O)(=O)c1ccccc1Br 217943510 PDVRSWQKBHIQGF-ZDUSSCGKSA-N 373.272 2.190 70 40 FEIB Cc1nc(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)cc(C2CC2)n1 160090506 HMZFRBGIZVPTAL-UHFFFAOYSA-N 364.427 2.066 70 40 FEIB CS(=O)(=O)Nc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 218398852 DWDJRRQVWXULCZ-UHFFFAOYSA-N 372.406 2.038 70 40 FEIB O=C(NCc1ccc(Cl)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217736418 XFVYSKGZJYANMF-IYBDPMFKSA-N 373.840 2.185 70 40 FEIB O=C(CCc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217961952 VCVGIFDHHANSJL-FUHWJXTLSA-N 364.445 2.362 70 40 FEIB CC(C)CCn1ncc(S(=O)(=O)Cl)c1I 408717620 KXCKPXVAGYAFNC-UHFFFAOYSA-N 362.620 2.461 70 40 FEIB O=C(NCC(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12)c1ccccc1 217593379 COOVIZYDUKPGRV-OAQYLSRUSA-N 364.401 2.105 70 40 FEIB Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1 217997274 ZUHKEWHKWQZSCA-INIZCTEOSA-N 350.396 2.224 70 40 FEIB NC(=O)C1(CNC(=O)c2ccccc2OC2CCCCC2)CCOCC1 160303125 SRXBLQFVZUPJIX-UHFFFAOYSA-N 360.454 2.410 70 40 FEIB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@@H](O)c1ccsc1 217532698 PXGPUWBKLXCYOZ-OAHLLOKOSA-N 353.465 2.152 70 40 FEIB Cc1cn2c(CN(C)C(=O)c3nc4nccc(C)n4n3)c(C)nc2s1 161002039 WZKNKWGQMSXEOM-UHFFFAOYSA-N 355.427 2.031 70 40 FEIB Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217997366 ZUHKEWHKWQZSCA-MRXNPFEDSA-N 350.396 2.224 70 40 FEIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3cn(C)nn3)C2)n1 217830915 LPDBJYLOTWIERB-AWEZNQCLSA-N 366.425 2.268 70 40 FEIB O=S(=O)(F)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1F 1776011205 MTBPMOODPSUIEX-UHFFFAOYSA-N 351.327 2.424 70 40 FEIB COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)Cl)c2)cc1 100547864 VGBGEENQEMFDGS-UHFFFAOYSA-N 361.828 2.424 70 40 FEIB Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)s1 161053866 OGYSBHQFMFLBIS-AWEZNQCLSA-N 372.494 2.236 70 40 FEIB O=C(CNC(=O)OCc1ccccc1)Nc1cnn(CC2CCOCC2)c1 218228039 AGIMEPFBOHGWKN-UHFFFAOYSA-N 372.425 2.175 70 40 FEIB C=C[Si]1(C=C)O[Si](C)(C)O[SiH](OC(C)=S)O[Si](C)(C)O1 195756356 LXFZTCXJLHJOAG-UHFFFAOYSA-N 366.692 2.444 70 40 FEIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccc(OC)cc3)o2)C1 216654924 BPKFJAVBCNUEFP-CYBMUJFWSA-N 351.428 2.274 70 40 FEIB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccsc2)c(C)c1 217538960 YXCZNNVCZNBEDD-OAHLLOKOSA-N 368.480 2.417 70 40 FEIB COCCN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Cl)c2)nn1 216687165 ANIGZPXCAVOKMQ-OAHLLOKOSA-N 352.847 2.200 70 40 FEIB O=S(=O)(Oc1ccc2ncc(N3CCOCC3)cc2c1)C(F)(F)F 145857239 VGGCMSYVDUVERD-UHFFFAOYSA-N 362.329 2.300 70 40 FEIB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(N2C(=O)CSC2=O)C1 217745421 HNUGUIVQUHJUNM-UHFFFAOYSA-N 359.382 2.341 70 40 FEIB Cc1ncncc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1 216661530 YEWOUCYMRYMHAN-CQSZACIVSA-N 350.382 2.250 70 40 FEIB COc1cc(C(=O)n2cc(C(N)=O)c3ccccc32)cc(OC)c1OC 216958954 GSHKCCGJCVGNOJ-UHFFFAOYSA-N 354.362 2.455 70 40 FEIB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1 217014560 GPAIGYJFOYTFTI-QGZVFWFLSA-N 355.482 2.361 70 40 FEIB Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1 216914009 HAXNRDKUEHOKTF-HNNXBMFYSA-N 365.499 2.060 70 40 FEIB CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 218247834 DCJWHXBTSCYQSX-ILXRZTDVSA-N 373.478 2.341 70 40 FEIB CN1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1 216896672 PGYRQQZTSICDRC-INIZCTEOSA-N 359.470 2.266 70 40 FEIB CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C2CC2)nc(C)n1 159987952 CPPPJWDKRSTTKF-HNNXBMFYSA-N 366.487 2.195 70 40 FEIB O=C(NCCn1ccnc1-c1ccccn1)c1cc2ccccc2oc1=O 217860293 YXDMIWFWBQLBOL-UHFFFAOYSA-N 360.373 2.482 70 40 FEIB O=C(Nc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 217741713 ZIBLVJPAVSRSNK-WIRSXHRWSA-N 361.401 2.002 70 40 FEIB CCOC(=O)COc1ccc(S(=O)(=O)Cl)cc1Br 100857878 NAABVUMXCZVKKH-UHFFFAOYSA-N 357.609 2.319 70 40 FEIB COc1ccc(-c2noc(CNC(=O)COc3ccccc3)n2)c(OC)c1 217824353 YYDPSISKPKVPEY-UHFFFAOYSA-N 369.377 2.449 70 40 FEIB O=C(c1ccc(OC(F)(F)F)cc1)N1CC(N2C(=O)CSC2=O)C1 217744199 ZRSLHOJQVSEGNY-UHFFFAOYSA-N 360.313 2.105 70 40 FEIB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)F)cc1 97977140 IZRHCSQNYGETNX-UHFFFAOYSA-N 364.354 2.282 70 40 FEIB NC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1 95698312 GYKXKOROZFUMIC-UHFFFAOYSA-N 353.787 2.357 70 40 FEIB Cc1cn2nc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2c(=O)[nH]1 217465684 XXVKVIGHSWSWFT-UHFFFAOYSA-N 366.299 2.160 70 40 FEIB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217820414 DFNPNBISWICNGR-LBPRGKRZSA-N 366.443 2.195 70 40 FEIB O=S(=O)(CCC(F)(F)F)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217824903 NYFRVEVTGSKGAL-JTQLQIEISA-N 367.393 2.484 70 40 FEIB CN(C)CCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891251 WZNTXEMVRIGJIX-UHFFFAOYSA-N 373.478 2.174 70 40 FEIB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccccc3)cc12 217429522 BEHQBUWNHJGSDK-UHFFFAOYSA-N 356.403 2.249 70 40 FEIB COc1nn(C)cc1C(=O)N(Cc1cc(C2CC2)n(C)n1)Cc1ccco1 217895774 NIGWSTMNIYWRSA-UHFFFAOYSA-N 369.425 2.475 70 40 FEIB O=C(Cc1cccc(C(F)(F)F)c1)N1CC(N2C(=O)CSC2=O)C1 217747763 BCBLVLKFKNZVDG-UHFFFAOYSA-N 358.341 2.154 70 40 FEIB Cc1ccc(OCCNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 218334054 XVFNSKVOWFKSFA-UHFFFAOYSA-N 362.451 2.200 70 40 FEIB COC(=O)c1ccc(Cn2cc([C@@H]3OCCN3Cc3ccco3)nn2)cc1 216780802 OGNYOUHYEFCPHH-SFHVURJKSA-N 368.393 2.237 70 40 FEIB CC(=O)OC(C)(C)C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218285923 ODQXSHQPIMCGMT-AWEZNQCLSA-N 359.382 2.003 70 40 FEIB CCO[C@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccnc2)C12CCCCC2 160226361 SXZCCWRKIODKAE-SJORKVTESA-N 359.470 2.398 70 40 FEIB COC[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891400 LBYFQLOUPVRJIZ-LBPRGKRZSA-N 360.435 2.257 70 40 FEIB O=C(c1ccc(F)cc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217722960 REYXQYLMKSEABU-STQMWFEESA-N 362.788 2.255 70 40 FEIB O=C(Cc1ccccc1Cl)N1Cc2cnc(N3CCOCC3)nc2C1 217608207 JMGDBFPEJAWZRJ-UHFFFAOYSA-N 358.829 2.052 70 40 FEIB CN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 216919898 FUSWKCJDYOWFJS-UHFFFAOYSA-N 365.499 2.142 70 40 FEIB COCCCn1ccc(Nc2ccc([N+](=O)[O-])cc2CS(=O)(=O)F)n1 585135356 DDISFGFMYATVRQ-UHFFFAOYSA-N 372.378 2.371 70 40 FEIB COc1cc(CCC(=O)N2CCCC2)c(S(=O)(=O)Cl)cc1OC 100026955 JCIQGCJBYINCGE-UHFFFAOYSA-N 361.847 2.186 70 40 FEIB Cn1cccc1[C@H](O)CCNS(=O)(=O)c1ccccc1Br 217943424 PDVRSWQKBHIQGF-CYBMUJFWSA-N 373.272 2.190 70 40 FEIB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 217568024 UZWILWMOZVBIJY-QMMMGPOBSA-N 355.890 2.071 70 40 FEIB Cc1cc(C(=O)NCCN(C)c2ccccc2)ccc1NS(C)(=O)=O 218595755 LCEHHAGBVLVALT-UHFFFAOYSA-N 361.467 2.233 70 40 FEIB O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)F 217573078 QUTDGVORVZUCDU-ZDUSSCGKSA-N 369.389 2.016 70 40 FEIB CN1C(=O)CS[C@H]1c1cn(Cc2cccc(Br)c2)nn1 216752639 CAJAEVMOMJQPFH-ZDUSSCGKSA-N 353.245 2.293 70 40 FEIB CC(C)(C)C(=O)[C@@H]1[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12 217380365 BHNLYGBJMNKDTM-DRVJKLOYSA-N 353.418 2.442 70 40 FEIB COC(=O)c1cnn(-c2ccc3ccccc3n2)c1S(=O)(=O)Cl 218814782 PCSDBROWBIOPJO-UHFFFAOYSA-N 351.771 2.135 70 40 FEIB O=C(c1cc(-c2ccccc2)n[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217959636 YGCYSSYTXXZIQW-GOEBONIOSA-N 360.417 2.498 70 40 FEIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 217603511 MGFMXPVDKGVNNY-KGLIPLIRSA-N 359.344 2.427 70 40 FEIB Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)CCC(F)(F)F 217872351 KHSIWHGMNNDWLA-UHFFFAOYSA-N 362.377 2.125 70 40 FEIB CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216905421 JFPRCCDYSJIIMN-QGZVFWFLSA-N 352.500 2.389 70 40 FEIB COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)CC1 217790604 NYOMNDDJPLXDNX-UHFFFAOYSA-N 370.490 2.398 70 40 FEIB Cc1ncncc1-c1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)o1 216661573 YEWOUCYMRYMHAN-AWEZNQCLSA-N 350.382 2.250 70 40 FEIB COc1nn(C)cc1C(=O)N(Cc1nn(C)c2c1CCC2)C1CCCC1 217911002 SYBSKQUIRBBNIB-UHFFFAOYSA-N 357.458 2.236 70 40 FEIB CNS(=O)(=O)c1cccc(C(=O)NCCOc2ccccc2Cl)c1 159380002 PNPRPAWGJBRFKU-UHFFFAOYSA-N 368.842 2.057 70 40 FEIB O=C(c1cnn(-c2ccccc2)n1)N1CC(n2cc(-c3ccccc3)nn2)C1 217673207 YYXDRRQUPDTMQD-UHFFFAOYSA-N 371.404 2.223 70 40 FEIB CN1CCC(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)CC1 216940201 UZQOTGNXWGVRJK-UHFFFAOYSA-N 373.478 2.311 70 40 FEIB CCS(=O)(=O)Nc1ccc(C(=O)NCCN(C)c2ccccc2)cc1 218639958 SBXIALACPMKEAA-UHFFFAOYSA-N 361.467 2.314 70 40 FEIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cnn(-c2ccccc2)n1 218196402 YPEQZGMJRQRCMB-UHFFFAOYSA-N 352.398 2.143 70 40 FEIB O=C(Cn1nnc2ccccc21)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 217663922 HFIUJHQHXRXPTM-MRXNPFEDSA-N 373.420 2.163 70 40 FEIB O=C1NCCN1C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 217855628 KKMBRMYPVXSZOE-LLVKDONJSA-N 361.427 2.198 70 40 FEIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)N3CCNC3=O)C2)n1 217834270 YOKLJPBGKZMBCH-AWEZNQCLSA-N 369.425 2.445 70 40 FEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cccs2)cc1 217581902 UGARIYWGYLMFFJ-OAHLLOKOSA-N 370.452 2.112 70 40 FEIB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1cnn(-c2ccccc2)n1 217867650 ZNNRWMFBXNHYPI-UHFFFAOYSA-N 373.420 2.264 70 40 FEIB COc1ccc(S(=O)(=O)NCCn2ccnc2-c2ccccn2)cc1C 217863582 HIGYLQIMMFOZFZ-UHFFFAOYSA-N 372.450 2.241 70 40 FEIB O=C(Nc1ccccc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 217741800 ZIBLVJPAVSRSNK-WKRCXCSHSA-N 361.401 2.002 70 40 FEIB N#Cc1ccc(NS(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)cc1 1776011258 WXGVACQISIMNKH-UHFFFAOYSA-N 358.347 2.156 70 40 FEIB O=C(Cn1c(=O)oc2ccccc21)NCCn1ccc(-c2ccsc2)n1 217886845 KIXQAUWSCVPFCB-UHFFFAOYSA-N 368.418 2.336 70 40 FEIB O=C(c1cc2ccccc2o1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217721153 UIBGUVIKOIWSPF-GJZGRUSLSA-N 350.374 2.208 70 40 FEIB Cc1c(NS(C)(=O)=O)cccc1C(=O)NCCN(C)c1ccccc1 218578437 WTAGAVQQGYKLSP-UHFFFAOYSA-N 361.467 2.233 70 40 FEIB O=C(c1cc2ccccc2o1)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217721069 UIBGUVIKOIWSPF-GASCZTMLSA-N 350.374 2.208 70 40 FEIB O=C(NC[C@@H]1CCCO1)c1nnn(Cc2ccccc2)c1-n1cccc1 217471986 CLGXQDVJHFNFKF-INIZCTEOSA-N 351.410 2.026 70 40 FEIB COC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 216852457 OVPDCASLCFTYHT-UHFFFAOYSA-N 373.482 2.481 70 40 FEIB C[C@@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1cc2ccccc2o1 217990469 SRXWIOKHMDEMOQ-HXUWFJFHSA-N 366.373 2.365 70 40 FEIB CCS(=O)(=O)N1CCC(c2nnc(-c3ccccc3OC)o2)CC1 216633575 FSEFWDNKQYZWJX-UHFFFAOYSA-N 351.428 2.274 70 40 FEIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3ccccc3OC)o2)C1 216650366 CRGAJYAGHRCAMU-GFCCVEGCSA-N 351.428 2.274 70 40 FEIB O=S(=O)(NCC[C@H](O)C1CCOCC1)c1ccc2c(c1)CCCC2 217924676 QTAGELJNCGHZIG-SFHVURJKSA-N 353.484 2.021 70 40 FEIB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217820338 DFNPNBISWICNGR-GFCCVEGCSA-N 366.443 2.195 70 40 FEIB COc1ccc(Br)c(C(=O)N2CC[C@@H](n3ccnn3)C2)c1 217687199 LDJRKTLZDSGJIY-SNVBAGLBSA-N 351.204 2.136 70 40 FEIB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760547 GKNJWGCREMALRY-KRWDZBQOSA-N 368.430 2.476 70 40 FEIB O=C(NCc1ccc(Cl)cc1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217736587 XFVYSKGZJYANMF-HZPDHXFCSA-N 373.840 2.185 70 40 FEIB Cc1ncc(-c2nnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cn1 216658912 CUHYCRHFTKSUQH-AWEZNQCLSA-N 350.382 2.250 70 40 FEIB CS(=O)(=O)Nc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 218404140 MUXXVPVMLKQIEN-UHFFFAOYSA-N 372.406 2.038 70 40 FEIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccc(OC)cc3)o2)C1 216654973 BPKFJAVBCNUEFP-ZDUSSCGKSA-N 351.428 2.274 70 40 FEIB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2C(=O)CSC1CCCC1 217763609 DTPKUPDVLBAZAN-PBWFPOADSA-N 350.484 2.333 70 40 FEIB O=C(NC[C@H](O)Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)F 217573147 QUTDGVORVZUCDU-CYBMUJFWSA-N 369.389 2.016 70 40 FEIB Cc1ccc(OCCNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 218578045 KNMMUUBPKHURHH-UHFFFAOYSA-N 362.451 2.484 70 40 FEIB CC(=O)Nc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217564225 IADAVUHJHCCODZ-DOTOQJQBSA-N 365.433 2.109 70 40 FEIB CC(C)CCc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]n1 217805601 HIZPKVGAXSWZRF-LSDHHAIUSA-N 354.454 2.420 70 40 FEIB COCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216890730 WGRJZJFFUMDBAP-UHFFFAOYSA-N 360.435 2.258 70 40 FEIB Cc1cc(C(=O)NCCN(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 216892218 YVSCHVGKNROPFL-UHFFFAOYSA-N 373.478 2.092 70 40 FEIB CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1 216905458 JFPRCCDYSJIIMN-KRWDZBQOSA-N 352.500 2.389 70 40 FEIB O=C(c1cccc(Br)c1)N1CC[C@@H](N2C(=O)CSC2=O)C1 217785454 JQFVCFYLCFLFIP-LLVKDONJSA-N 369.240 2.359 70 40 FEIB O=C(c1cc2ccccc2o1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217721237 UIBGUVIKOIWSPF-HUUCEWRRSA-N 350.374 2.208 70 40 FEIB CCc1nnc(CNC(=O)c2ccc(S(=O)(=O)F)cc2Cl)s1 1121123482 STZDHDCGHIPUKW-UHFFFAOYSA-N 363.823 2.342 70 40 FEIB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)F)c[nH]1 1263760548 GKNJWGCREMALRY-QGZVFWFLSA-N 368.430 2.476 70 40 FEIB CS(=O)(=O)N1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(-n3cccc3)cc1)C2 217682738 JTULALMSULECBS-ROUUACIJSA-N 373.478 2.162 70 40 FEIB O=S(=O)(F)c1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F 1776011184 IKLMCXAUZWHOFM-UHFFFAOYSA-N 365.354 2.102 70 40 FEIB COC(=O)c1sccc1Nc1c(NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(=O)c1=O 218191515 IECXFVPZDPUZRT-OUAUKWLOSA-N 358.419 2.498 70 40 FEIB COc1ccc(Br)c(C(=O)NCC[C@H](O)C2CCOCC2)c1 217920590 MVNUNGIFWYXGFN-HNNXBMFYSA-N 372.259 2.365 70 40 FEIB O=C1c2cc3ccccc3cc2C(=O)N1CCOS(=O)(=O)C(F)(F)F 95696898 VKCKBLUPFMXLRO-UHFFFAOYSA-N 373.308 2.302 70 40 FEIB CS(=O)(=O)Nc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 218569203 MSHBWJNARCUBRP-UHFFFAOYSA-N 372.406 2.038 70 40 FEIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1 217925723 IUGUHIYDYCTZRP-CQSZACIVSA-N 367.389 2.161 70 40 FEIB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 216910208 PVDUDNGKMNKGJN-MRXNPFEDSA-N 352.438 2.292 70 40 FEIB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 160309862 MDWOYWXZFKSRCS-UHFFFAOYSA-N 372.450 2.351 70 40 FEIB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1 217787999 SFEOSIVPGGPTFR-SNVBAGLBSA-N 374.871 2.107 70 40 FEIB COc1ccccc1OCC(=O)NCc1ccc(OC)c(OC)c1OC 217945157 FEVZRNOXVQFTJI-UHFFFAOYSA-N 361.394 2.416 70 40 FEIB COc1ccc(CCCNC(=O)c2ccccc2NS(C)(=O)=O)cc1 218395938 WQJYQBQAOUICBE-UHFFFAOYSA-N 362.451 2.429 70 40 FEIB O=C(NC[C@H]1CCCO1)c1nnn(Cc2ccccc2)c1-n1cccc1 217472063 CLGXQDVJHFNFKF-MRXNPFEDSA-N 351.410 2.026 70 40 FEIB Cc1ccc(OC[C@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217440578 KENZNGGRMGTOEI-RCCFBDPRSA-N 354.450 2.016 70 40 FEIB O=S(=O)(NCC[C@H](O)C1CCOCC1)c1ccc(C(F)(F)F)cc1 217925652 IUGUHIYDYCTZRP-AWEZNQCLSA-N 367.389 2.161 70 40 FEIB COC(=O)Nc1ccc(S(=O)(=O)NC[C@](C)(O)c2cccs2)cc1 217581992 UGARIYWGYLMFFJ-HNNXBMFYSA-N 370.452 2.112 70 40 FEIB O=C(CCc1ccc(Cl)c(F)c1)N1CC(N2C(=O)CSC2=O)C1 217744980 WUMMJJPVSGROSO-UHFFFAOYSA-N 356.806 2.318 70 40 FEIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 217603447 MGFMXPVDKGVNNY-UONOGXRCSA-N 359.344 2.427 70 40 FEIB CC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2c2nccs2)c1 217790102 HYUASQURTLBTKU-AWEZNQCLSA-N 365.480 2.293 70 40 FEIB Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1 216913982 HAXNRDKUEHOKTF-OAHLLOKOSA-N 365.499 2.060 70 40 FEIB NC(=S)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218163309 CMQALRVVRMGTGA-JYJNAYRXSA-N 361.444 2.257 70 40 FEIB COc1ccc(Br)c(C(=O)NCC[C@@H](O)C2CCOCC2)c1 217920678 MVNUNGIFWYXGFN-OAHLLOKOSA-N 372.259 2.365 70 40 FEIB O=C(Nc1cn[nH]c1)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 160400212 NYANDFVAHYYGJW-CYBMUJFWSA-N 359.455 2.300 70 40 FEIB Cn1cc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)nn1 217799464 BFVIMHJOASDVAM-GFCCVEGCSA-N 370.388 2.099 70 40 FEIB COc1ccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)cc1 218300877 VLNSCOFNWNXWFC-MRXNPFEDSA-N 367.361 2.201 70 40 FEIB NC(=S)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218163433 CMQALRVVRMGTGA-PMPSAXMXSA-N 361.444 2.257 70 40 FEIB O=C(c1ccc(F)cc1Cl)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 217723047 REYXQYLMKSEABU-CHWSQXEVSA-N 362.788 2.255 70 40 FEIB Cc1ccc(OC[C@@H](O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217440503 KENZNGGRMGTOEI-KSZLIROESA-N 354.450 2.016 70 40 FEIB CC(=O)NCc1ccc(C(=O)Nc2ccc(S(=O)(=O)F)cc2)cc1 97977141 VOKPJWXWCVFHQH-UHFFFAOYSA-N 350.371 2.233 70 40 FEIB CC(C)n1cnc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 217999896 SAUXLBMHTCXELW-QGZVFWFLSA-N 363.439 2.396 70 40 FEIB C[C@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@@H](O)[C@H]23)C[C@H](C)O1 217446578 AGRFRTKLCPEWTJ-SWMMZTDWSA-N 363.498 2.381 70 40 FEIB NC(=O)CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 104096987 BWNOQWKKETYAKI-UHFFFAOYSA-N 361.381 2.227 70 40 FEIB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1 100482529 VLNLSAIJTQPZSG-UHFFFAOYSA-N 354.315 2.271 70 40 FEIB COc1ccccc1CCCNC(=O)c1ccccc1NS(C)(=O)=O 218395835 IVPYUYCQRRMFRX-UHFFFAOYSA-N 362.451 2.429 70 40 FEIB O=C(c1cccc(S(=O)(=O)F)c1)N1CCOC[C@@H]1Cc1ccccc1 1614994859 MQVYDYCXHCGAND-INIZCTEOSA-N 363.410 2.429 70 40 FEIB CC(C)Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)n(C)n1 217733505 YDVJBYQFZHSTRH-LSDHHAIUSA-N 354.454 2.040 70 40 FEIB Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccnc2)c2c1CCC2 217912716 LVFDMBYTMYTQTE-UHFFFAOYSA-N 360.483 2.437 70 40 FEIB Cc1cc(O[C@@H]2CCN(C(=O)Cn3ccc4ccccc43)C2)cc(=O)n1C 217772929 KCLFCCOAIUHPCK-QGZVFWFLSA-N 365.433 2.328 70 40 FEIB Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)s1 161053742 OGYSBHQFMFLBIS-CQSZACIVSA-N 372.494 2.236 70 40 FEIB CCS(=O)(=O)N1CCC[C@@H](c2nnc(-c3cccc(OC)c3)o2)C1 216652597 DRNOPIPLHYRCRP-CYBMUJFWSA-N 351.428 2.274 70 40 FEIB Cc1ncncc1-c1nnc(C2CCN(C(=O)c3cccnc3)CC2)o1 216639455 IXLPYPARPASDOZ-UHFFFAOYSA-N 350.382 2.250 70 40 FEIB O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)F)cc1 104170977 HCXSEGYMYGMDHQ-UHFFFAOYSA-N 354.315 2.271 70 40 FEIB CC(C)CCn1cc(S(=O)(=O)Cl)c(I)n1 408717845 XOMXITHQGIQSQD-UHFFFAOYSA-N 362.620 2.461 70 40 FEIB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)C1 100619444 NPLZZEGSEGSKMF-PHIMTYICSA-N 351.877 2.281 70 40 FEIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 217603365 MGFMXPVDKGVNNY-ZIAGYGMSSA-N 359.344 2.427 70 40 FEIB O=S(=O)(F)c1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1 101353683 XUPQEOSCYSKGEQ-HNNXBMFYSA-N 357.370 2.387 70 40 FEIB O=C(NCc1ccc(Cl)cc1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1 217736498 XFVYSKGZJYANMF-HOTGVXAUSA-N 373.840 2.185 70 40 FEIB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)Cl)cc2)C1 100619446 NPLZZEGSEGSKMF-QWRGUYRKSA-N 351.877 2.281 70 40 FEIB Cc1nc(C(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)cs1 217837844 WBDGNSKTTJEDSE-GFCCVEGCSA-N 370.438 2.386 70 40 FEIB CN1CCN(C(=O)Nc2ccc(S(=O)(=O)Cl)c(Cl)c2)CC1 95698281 CPIAHMRNIFRCST-UHFFFAOYSA-N 352.243 2.047 70 40 FEIB Cc1cc(=O)[nH]c2ccc(S(=O)(=O)CC(=O)Nc3ccccc3F)cc12 217433969 VOPVGRWEZMHPDG-UHFFFAOYSA-N 374.393 2.388 70 40 FEIB COc1ccc(Cl)cc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 217678109 SMYBGQKHZBXCDJ-YHWZYXNKSA-N 372.874 2.033 70 40 FEIB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CCN(C)CC1 216897213 DNKDFCHFKQUMGQ-UHFFFAOYSA-N 350.415 2.161 70 40 FEIB CN1CCC(CCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)CC1 217022572 QSAFDNNCMUPJMJ-UHFFFAOYSA-N 373.906 2.173 70 40 FEIB O=C(Cn1nnc2ccccc21)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 217664009 HFIUJHQHXRXPTM-INIZCTEOSA-N 373.420 2.163 70 40 FEIB CN1C(=O)CS[C@@H]1c1cn(Cc2cccc(Br)c2)nn1 216752588 CAJAEVMOMJQPFH-CYBMUJFWSA-N 353.245 2.293 70 40 FEIB CN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 216906711 GRDNELWSPJZQLE-OAHLLOKOSA-N 365.499 2.142 70 40 FEIB COCc1nc2n(n1)C[C@@H](Nc1cc(C)nc(-c3cccnc3)n1)CC2 161344997 JUPNNZUUWIFNBU-AWEZNQCLSA-N 351.414 2.012 70 40 FEIB CN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 216906741 GRDNELWSPJZQLE-HNNXBMFYSA-N 365.499 2.142 70 40 FEIB COC(=O)c1sccc1Nc1c(NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)c1=O 218191443 IECXFVPZDPUZRT-VWYCJHECSA-N 358.419 2.498 70 40 FEIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CCc1ccc(C(F)(F)F)cc1 217603595 MGFMXPVDKGVNNY-KBPBESRZSA-N 359.344 2.427 70 40 FEIB C[C@](O)(CNC(=O)C(=O)Nc1cccnc1)c1cc2ccccc2s1 217517597 UYTMNEPLOJFQRX-SFHVURJKSA-N 355.419 2.259 70 40 FEIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3ccccc3OC)o2)C1 216650411 CRGAJYAGHRCAMU-LBPRGKRZSA-N 351.428 2.274 70 40 FEIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2Cl)nn1 216687098 SVIGIDJMRHDVRC-HNNXBMFYSA-N 352.847 2.200 70 40 FEIB C[C@](O)(CNC(=O)Cn1c(=O)oc2ccccc21)c1cc2ccccc2o1 217990546 SRXWIOKHMDEMOQ-FQEVSTJZSA-N 366.373 2.365 70 40 FEIB CCOC(=O)c1ccc(Nc2cc(N3CCN(C)CC3)nc(C)n2)cc1 216850213 OCOUGFQPOXCDQA-UHFFFAOYSA-N 355.442 2.457 70 40 FEIB COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 217567936 UZWILWMOZVBIJY-MRVPVSSYSA-N 355.890 2.071 70 40 FEIB NC(=S)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 218163226 CMQALRVVRMGTGA-XHSDSOJGSA-N 361.444 2.257 70 40 FEIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1ccc[nH]c1=O 217487312 SKBFZVUWCBSDPL-UHFFFAOYSA-N 374.360 2.058 70 40 FEIB COC(=O)c1ccc(C(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)cc1 218007960 UAPYUKIQOPCLPT-NRFANRHFSA-N 369.417 2.436 70 40 FEIB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1 216844251 TZJWDDLSVSFKBQ-UHFFFAOYSA-N 353.422 2.335 70 40 FEIB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(S(=O)(=O)F)cc1 97977139 MBMATTFVHFTXRV-UHFFFAOYSA-N 363.432 2.031 70 40 FEIB COC1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)CC1 217790490 WFPKVOYOSMGWFG-UHFFFAOYSA-N 370.490 2.398 70 40 FEIB Cn1nc(CN(Cc2ccco2)C(=O)c2cccn(C)c2=O)c2c1CCC2 217901944 MJZMZVXHFYSLMB-UHFFFAOYSA-N 366.421 2.043 70 40 FEIB COc1nn(C)cc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2 217904625 MQOCNTXVTMPBHX-UHFFFAOYSA-N 369.425 2.087 70 40 FEIB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1 217014603 GPAIGYJFOYTFTI-KRWDZBQOSA-N 355.482 2.361 70 40 FEIB CN1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1 216896700 PGYRQQZTSICDRC-MRXNPFEDSA-N 359.470 2.266 70 40 FEIB O=C(Nc1cn[nH]c1)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 160400084 NYANDFVAHYYGJW-ZDUSSCGKSA-N 359.455 2.300 70 40 FEIB O=C(NCC(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12)c1ccccc1 217593446 COOVIZYDUKPGRV-NRFANRHFSA-N 364.401 2.105 70 40 FEIB CCO[C@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccnc2)C12CCCCC2 160226100 SXZCCWRKIODKAE-IRXDYDNUSA-N 359.470 2.398 70 40 FEIB O=C(CCSc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1 217608772 BEWXMPAFIVKURQ-UHFFFAOYSA-N 370.478 2.338 70 40 FEIB COC(=O)c1cccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)c1 216780733 KFIVYQCPYJIQSI-GOSISDBHSA-N 368.393 2.237 70 40 FEIB COC(=O)c1ccc(Cn2cc([C@H]3OCCN3Cc3ccco3)nn2)cc1 216780849 OGNYOUHYEFCPHH-GOSISDBHSA-N 368.393 2.237 70 40 FEIB O=c1cc(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(O)cc2o1 217559598 DQWGUKCFDDPOQF-DZGCQCFKSA-N 364.401 2.280 70 40 FEIB COc1cc2c(c(OS(=O)(=O)C(F)(F)F)c1)C(=O)OC(C)(C)O2 139441353 KJCYVZLETVRDQN-UHFFFAOYSA-N 356.274 2.209 70 40 FEIB in-vitro COCCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2Cl)nn1 216687051 SVIGIDJMRHDVRC-OAHLLOKOSA-N 352.847 2.200 70 40 FEIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3cccc(F)c3)[C@H]4C2=O)no1 217714890 QHAUMDGSWYJDRN-RGPZOAQRSA-N 369.352 2.047 70 40 FEIB O=C1Nc2c(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c3cccc1c23 98048381 OWZNDXNWYTWUAN-UHFFFAOYSA-N 366.203 2.261 70 40 FEIB O=S(=O)(NCC[C@@H](O)C1CCOCC1)c1ccc2c(c1)CCCC2 217924761 QTAGELJNCGHZIG-GOSISDBHSA-N 353.484 2.021 70 40 FEIB CCOc1ccc(CC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 217702382 LKVKYXUMLSMHQB-DLBZAZTESA-N 352.434 2.435 70 40 FEIB Cc1ccc(OCCNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 218595338 HWFTZQBHDKAUGM-UHFFFAOYSA-N 362.451 2.484 70 40 FEIB CCO[C@@H]1C[C@H](N(C)C(=O)CNC(=O)c2cccnc2)C12CCCCC2 160225959 SXZCCWRKIODKAE-DLBZAZTESA-N 359.470 2.398 70 40 FEIB CCS(=O)(=O)N1CCC(c2nnc(-c3cccc(OC)c3)o2)CC1 216634615 FDDWVKVXZHOADQ-UHFFFAOYSA-N 351.428 2.274 70 40 FEIB CN1CCC(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 217022124 VETFCAYDEYKARO-UHFFFAOYSA-N 373.906 2.173 70 40 FEIB O=c1c(Cl)c(OS(=O)(=O)C(F)(F)F)cnn1Cc1ccccc1 100040009 BBNGMNONHFCMHQ-UHFFFAOYSA-N 368.720 2.173 70 40 FEIB Cc1ncc(-c2nnc(C3CCN(C(=O)c4cccnc4)CC3)o2)cn1 216638111 YHVXLZYXQRKCRD-UHFFFAOYSA-N 350.382 2.250 70 40 FEIB CCS(=O)(=O)N1CCC[C@H](c2nnc(-c3cccc(OC)c3)o2)C1 216652648 DRNOPIPLHYRCRP-ZDUSSCGKSA-N 351.428 2.274 70 40 FEIB O=C(C1c2ccccc2Oc2ccccc21)N1CC(N2C(=O)CCC2=O)C1 217715929 WKYSFMNKEMROFJ-UHFFFAOYSA-N 362.385 2.284 70 40 FEIB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1 217035167 IQZVBPCDAAPTKA-KRWDZBQOSA-N 353.894 2.251 70 40 FEIB Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217928519 DBIZREKHLBMWLM-UONOGXRCSA-N 354.454 2.139 70 40 FEIB CCCNC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1 217594704 TWPQSLJVCRVKOF-FCEWJHQRSA-N 357.498 2.150 70 40 FEIB O=C1NCCN1C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 217855539 KKMBRMYPVXSZOE-NSHDSACASA-N 361.427 2.198 70 40 FEIB Cn1c(=O)c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc2ccccc21 217567988 NBKGNXIGMLQADX-DOTOQJQBSA-N 361.445 2.320 70 40 FEIB O=C(NCCn1ccnc1-c1ccccn1)c1cc(=O)c2ccccc2o1 217860749 ONBFVQKCQNOESB-UHFFFAOYSA-N 360.373 2.482 70 40 FEIB CCN(CC)C(=O)CCc1cc(OC)c(OC)cc1S(=O)(=O)Cl 100026953 DTGFRDYXJYGETQ-UHFFFAOYSA-N 363.863 2.432 70 40 FEIB Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2cccnc2)c2c1CCC2 217906743 MBMYHMFIBZCKKF-UHFFFAOYSA-N 372.450 2.288 70 40 FEIB O=C(c1cccc(S(=O)(=O)F)c1)N1CCOC[C@H]1Cc1ccccc1 1614994870 MQVYDYCXHCGAND-MRXNPFEDSA-N 363.410 2.429 70 40 FEIB COc1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(N2C(=O)CCC2=O)C3)cc1 217765042 AEMTZZAKAIGVKD-GJZGRUSLSA-N 371.437 2.049 70 40 FEIB O=S(=O)(F)c1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)cc1 101353684 XUPQEOSCYSKGEQ-OAHLLOKOSA-N 357.370 2.387 70 40 FEIB O=S(=O)(CCOc1ccccc1)Nc1cnn(CC2CCOCC2)c1 218247481 CKCMKYFNPRDUQP-UHFFFAOYSA-N 365.455 2.130 70 40 FEIB COC(=O)c1ccc2c(=O)nc(-c3ccc(S(=O)(=O)F)cc3)[nH]c2c1 685944954 KRISHUPNFHJSRH-UHFFFAOYSA-N 362.338 2.035 70 40 FEIB COc1ccc(C(=O)NCCSC2CCOCC2)c(OC)c1OC 217706556 ZWLNUEMFSPMUFB-UHFFFAOYSA-N 355.456 2.354 70 40 FEIB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@@H]1CCOC1 217489571 MJEHETOTRAUXQT-CYBMUJFWSA-N 351.366 2.092 70 40 FEIB O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)c1ccsc1 217532612 PXGPUWBKLXCYOZ-HNNXBMFYSA-N 353.465 2.152 70 40 FEIB CCO[C@@H]1C[C@@H](N(C)C(=O)CNC(=O)c2cccnc2)C12CCCCC2 160226233 SXZCCWRKIODKAE-IAGOWNOFSA-N 359.470 2.398 70 40 FEIB COc1ccc(C(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 217566523 PLQNCHDDFUVREM-GOEBONIOSA-N 368.433 2.168 70 40 FEIB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1 100482159 QFJAFIJDZVWTAB-UHFFFAOYSA-N 354.315 2.271 70 40 FEIB CC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN2c2nccs2)c1 217790172 HYUASQURTLBTKU-CQSZACIVSA-N 365.480 2.293 70 40 FEIB NC(=S)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218163379 CMQALRVVRMGTGA-OAGGEKHMSA-N 361.444 2.257 70 40 FEIB COc1ccc(OCC(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 217842426 YEJGXMZERLRZFO-UHFFFAOYSA-N 369.377 2.449 70 40 FEIB COc1ccccc1CCCNC(=O)c1cccc(NS(C)(=O)=O)c1 218566549 VIHHIZZHEJRKGY-UHFFFAOYSA-N 362.451 2.429 70 40 FEIB CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 218247888 DCJWHXBTSCYQSX-QLFBSQMISA-N 373.478 2.341 70 40 FEIB Cc1noc(C)c1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217845671 DLKZKGAJZJNRHE-CYBMUJFWSA-N 368.397 2.226 70 40 FEIB Cn1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)nn1 217799545 BFVIMHJOASDVAM-LBPRGKRZSA-N 370.388 2.099 70 40 FEIB COCCN1C(=O)CS[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 216687313 OGUQOQOGRYEXGE-HNNXBMFYSA-N 352.847 2.200 70 40 FEIB CC(=O)Nc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)c(C)c1 217538888 YXCZNNVCZNBEDD-HNNXBMFYSA-N 368.480 2.417 70 40 FEIB O=C(c1ccc(F)cc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 217722875 REYXQYLMKSEABU-BETUJISGSA-N 362.788 2.255 70 40 FEIB Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 217787903 SFEOSIVPGGPTFR-JTQLQIEISA-N 374.871 2.107 70 40 FEIB COc1cccc(-c2noc(CNC(=O)[C@H]3COc4ccccc4O3)n2)c1 218300780 WNIALYHZOYYLBR-MRXNPFEDSA-N 367.361 2.201 70 40 FEIB O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)F)cc1 104169877 WIRFIESSQVNGTP-UHFFFAOYSA-N 352.343 2.226 70 40 FEIB O=S(=O)(CCC(F)(F)F)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217824819 NYFRVEVTGSKGAL-SNVBAGLBSA-N 367.393 2.484 70 40 FEIB Cc1noc(C)c1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217845749 DLKZKGAJZJNRHE-ZDUSSCGKSA-N 368.397 2.226 70 40 FEIB