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CC[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000159510973 366920852 /nfs/dbraw/zinc/92/08/52/366920852.db2.gz UYYNRSSYUGRQIZ-JQWIXIFHSA-N 0 0 279.336 2.060 10 70 CEIERN CC1(C)C[C@H](NC(=O)c2cc[nH]c(=O)c2)c2ccccc2O1 ZINC000159770528 276147824 /nfs/dbraw/zinc/14/78/24/276147824.db2.gz CFZCNVQNCIVFPO-ZDUSSCGKSA-N 0 0 298.342 2.407 10 70 CEIERN CCOCCCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000161272390 521700483 /nfs/dbraw/zinc/70/04/83/521700483.db2.gz MDMQEDKBXNTANJ-HOCLYGCPSA-N 0 0 298.427 2.140 10 70 CEIERN Cn1ncc(N[C@H]2CCc3cc(N)ccc32)c(Cl)c1=O ZINC000159788938 344455428 /nfs/dbraw/zinc/45/54/28/344455428.db2.gz VUURCDDATPDSHH-NSHDSACASA-N 0 0 290.754 2.115 10 70 CEIERN CCCN(CC(=O)NC)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161391415 283096819 /nfs/dbraw/zinc/09/68/19/283096819.db2.gz GVUORQODCRDDQC-ZIAGYGMSSA-N 0 0 280.412 2.187 10 70 CEIERN NC(=O)c1ccc(N[C@@H]2CCCc3cc(N)ccc32)nc1 ZINC000159507605 283381630 /nfs/dbraw/zinc/38/16/30/283381630.db2.gz FFYSEEYJWWUURD-CQSZACIVSA-N 0 0 282.347 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280.530 2.248 10 70 CEIERN CCC[C@H](NC(=O)CCCOC)C(=O)OC(C)(C)C ZINC000161372379 521123963 /nfs/dbraw/zinc/12/39/63/521123963.db2.gz ADZATRCCEMEBEN-NSHDSACASA-N 0 0 273.373 2.040 10 70 CEIERN c1csc([C@@H]2CN(Cc3cccnc3)CCO2)n1 ZINC000161442899 526587022 /nfs/dbraw/zinc/58/70/22/526587022.db2.gz RTEVYTHVLXLBSD-LBPRGKRZSA-N 0 0 261.350 2.112 10 70 CEIERN Cc1noc([C@@H]2COCCN2Cc2cc(F)cc(F)c2)n1 ZINC000161061757 526658371 /nfs/dbraw/zinc/65/83/71/526658371.db2.gz OCAGBLKFLNPAKI-ZDUSSCGKSA-N 0 0 295.289 2.230 10 70 CEIERN Cn1cnc2cc(C(=O)NCCC3=CCCC3)cnc21 ZINC000160974069 188501114 /nfs/dbraw/zinc/50/11/14/188501114.db2.gz CUJXYSXYQGPBFS-UHFFFAOYSA-N 0 0 270.336 2.199 10 70 CEIERN CCC(C)(CC)C(=O)N[C@H]1CCCn2ncnc21 ZINC000159428299 540406251 /nfs/dbraw/zinc/40/62/51/540406251.db2.gz ZDKXTPCOTKCLCO-JTQLQIEISA-N 0 0 250.346 2.056 10 70 CEIERN OCC[C@H]1CCN(Cc2ccc(Br)o2)C1 ZINC000159772324 162313170 /nfs/dbraw/zinc/31/31/70/162313170.db2.gz UOJKQNFNRYJRIT-SECBINFHSA-N 0 0 274.158 2.246 10 70 CEIERN CC(C)Cn1ccnc(N[C@H]2CCOC(C)(C)C2)c1=O ZINC000159996828 162319275 /nfs/dbraw/zinc/31/92/75/162319275.db2.gz ZTJZCDWJZBWLSS-LBPRGKRZSA-N 0 0 279.384 2.269 10 70 CEIERN CCC[C@@H](NC(=O)CO[C@@H](C)CC)C(=O)OC(C)(C)C ZINC000161361198 520735225 /nfs/dbraw/zinc/73/52/25/520735225.db2.gz UUXSOGAZIVDQND-NWDGAFQWSA-N 0 0 287.400 2.428 10 70 CEIERN CCC[C@H](NC(=O)CCOCC)C(=O)OC(C)(C)C ZINC000161474676 521123766 /nfs/dbraw/zinc/12/37/66/521123766.db2.gz UNCBEAABAQSAQU-NSHDSACASA-N 0 0 273.373 2.040 10 70 CEIERN COC1(CNc2nc(C(C)(C)C)ns2)CCOCC1 ZINC000160048617 366968173 /nfs/dbraw/zinc/96/81/73/366968173.db2.gz SHBWCFKWFDJILF-UHFFFAOYSA-N 0 0 285.413 2.443 10 70 CEIERN COC[C@@H](C)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160752221 367031578 /nfs/dbraw/zinc/03/15/78/367031578.db2.gz KVIUQZXEIDKXPR-SNVBAGLBSA-N 0 0 284.425 2.382 10 70 CEIERN CCC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(=O)OC(C)(C)C ZINC000161381549 367082500 /nfs/dbraw/zinc/08/25/00/367082500.db2.gz MHIBAOSNEALABA-LLVKDONJSA-N 0 0 294.351 2.027 10 70 CEIERN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160600351 298643313 /nfs/dbraw/zinc/64/33/13/298643313.db2.gz PTUGQZQZUFGCKM-FVQBIDKESA-N 0 0 294.439 2.040 10 70 CEIERN CCCCN(CCCC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161291606 520492053 /nfs/dbraw/zinc/49/20/53/520492053.db2.gz JQXREJVSAKMEEW-ZDUSSCGKSA-N 0 0 293.415 2.205 10 70 CEIERN CCC[C@H](NC(=O)CC1CCOCC1)C(=O)OC(C)(C)C ZINC000161280307 521122846 /nfs/dbraw/zinc/12/28/46/521122846.db2.gz PQDNRQSRTWGFOU-ZDUSSCGKSA-N 0 0 299.411 2.430 10 70 CEIERN CCn1cnnc1[C@H]1CCCN(Cc2nc(C)c(C)o2)C1 ZINC000161351297 523608127 /nfs/dbraw/zinc/60/81/27/523608127.db2.gz OQHUUHZTYIBGFN-ZDUSSCGKSA-N 0 0 289.383 2.282 10 70 CEIERN Cc1cc(C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c(C)[nH]1 ZINC000160544745 526208055 /nfs/dbraw/zinc/20/80/55/526208055.db2.gz PHCFHOOCIFIYPU-RHSMWYFYSA-N 0 0 290.407 2.441 10 70 CEIERN C[C@@H]1CC[C@@H](C)N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160666484 344460598 /nfs/dbraw/zinc/46/05/98/344460598.db2.gz PGXCJPFILJKYSF-GHMZBOCLSA-N 0 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MSPDBZJGNPESPI-UHFFFAOYSA-N 0 0 271.295 2.396 10 70 CEIERN COC(=O)[C@@H](NCc1cnc2ccccn12)c1ccccc1 ZINC000159655817 297429664 /nfs/dbraw/zinc/42/96/64/297429664.db2.gz BZMSRHUYEUZMAP-INIZCTEOSA-N 0 0 295.342 2.338 10 70 CEIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000160553238 297438098 /nfs/dbraw/zinc/43/80/98/297438098.db2.gz RCWLKERVAZEROX-YWPYICTPSA-N 0 0 277.364 2.349 10 70 CEIERN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160445959 312638378 /nfs/dbraw/zinc/63/83/78/312638378.db2.gz FIIJVNBBBCNOHQ-DZGCXMPZSA-N 0 0 295.423 2.200 10 70 CEIERN CCC[C@@H](NC(=O)CC[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000161501909 520729428 /nfs/dbraw/zinc/72/94/28/520729428.db2.gz LHBIELRGKZZZCQ-QWHCGFSZSA-N 0 0 299.411 2.430 10 70 CEIERN CCCCCN(C(=O)N[C@H]1CCc2ncnn2C1)C(C)C ZINC000161157833 520143429 /nfs/dbraw/zinc/14/34/29/520143429.db2.gz KTRXHTBLUFIBIH-ZDUSSCGKSA-N 0 0 293.415 2.203 10 70 CEIERN O=C(CCCNC(=O)[C@H]1C[C@H]1C1CCCCC1)NC1CC1 ZINC000160784842 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CCOCCCCNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000161272279 521700567 /nfs/dbraw/zinc/70/05/67/521700567.db2.gz MDMQEDKBXNTANJ-GOEBONIOSA-N 0 0 298.427 2.140 10 70 CEIERN CCn1ccnc1CN1CCC(c2cc[nH]n2)CC1 ZINC000160901494 523527831 /nfs/dbraw/zinc/52/78/31/523527831.db2.gz KDPIFQRZEZSHRU-UHFFFAOYSA-N 0 0 259.357 2.006 10 70 CEIERN CCn1ccnc1CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000160897508 523534939 /nfs/dbraw/zinc/53/49/39/523534939.db2.gz KSQRUOVOKMGZGU-LBPRGKRZSA-N 0 0 292.408 2.241 10 70 CEIERN Cc1noc([C@H]2COCCN2Cc2cc(F)cc(F)c2)n1 ZINC000161061891 526673083 /nfs/dbraw/zinc/67/30/83/526673083.db2.gz OCAGBLKFLNPAKI-CYBMUJFWSA-N 0 0 295.289 2.230 10 70 CEIERN Cc1csc([C@@H]2CN(CCOCC3CC3)CCO2)n1 ZINC000160038147 232249317 /nfs/dbraw/zinc/24/93/17/232249317.db2.gz ZYLUWHMQFAMBPF-ZDUSSCGKSA-N 0 0 282.409 2.251 10 70 CEIERN O=C(CC/C=C/c1ccccc1)N[C@@H]1CCc2ncnn2C1 ZINC000159972384 366962274 /nfs/dbraw/zinc/96/22/74/366962274.db2.gz WWVQBAHYTLIFOH-SGJXGLNRSA-N 0 0 296.374 2.203 10 70 CEIERN NC(=S)Nc1nc(-c2ccncc2)cc(C(F)(F)F)n1 ZINC000217030138 370191567 /nfs/dbraw/zinc/19/15/67/370191567.db2.gz FNSDBYATYRTKOW-UHFFFAOYSA-N 0 0 299.281 2.213 10 70 CEIERN Cn1cc([C@H]2CCCN2Cc2cnc3ccccn23)cn1 ZINC000159766619 162313738 /nfs/dbraw/zinc/31/37/38/162313738.db2.gz FUBIZSWDJRKKPW-OAHLLOKOSA-N 0 0 281.363 2.405 10 70 CEIERN CC(C)[C@@H](C)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000159725498 162313844 /nfs/dbraw/zinc/31/38/44/162313844.db2.gz YKSMXXHPNFLZRM-LLVKDONJSA-N 0 0 277.359 2.013 10 70 CEIERN CCC[C@H](NC(=O)CC[C@H](C)OC)C(=O)OC(C)(C)C ZINC000161279213 521123498 /nfs/dbraw/zinc/12/34/98/521123498.db2.gz BIHRVBCRPZTWDS-RYUDHWBXSA-N 0 0 287.400 2.428 10 70 CEIERN CCC[C@H](NC(=O)[C@H]1CC[C@H](C)O1)C(=O)OC(C)(C)C ZINC000161388126 521142277 /nfs/dbraw/zinc/14/22/77/521142277.db2.gz VEMCQJAHARWOKH-SDDRHHMPSA-N 0 0 285.384 2.181 10 70 CEIERN COC(=O)c1csc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000160943996 344462464 /nfs/dbraw/zinc/46/24/64/344462464.db2.gz DLADIMBZGVFZFX-POYBYMJQSA-N 0 0 254.311 2.065 10 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294.439 2.480 10 70 CEIERN Cn1nccc1CCNc1nc(C(C)(C)C)ns1 ZINC000160352386 366997939 /nfs/dbraw/zinc/99/79/39/366997939.db2.gz VXTDXWPLMRPADO-UHFFFAOYSA-N 0 0 265.386 2.224 10 70 CEIERN Cc1ccc([C@H](C)NC(=O)NO[C@H]2CCCCO2)o1 ZINC000161344653 367079497 /nfs/dbraw/zinc/07/94/97/367079497.db2.gz GCGSUMMBOMGTEG-JQWIXIFHSA-N 0 0 268.313 2.406 10 70 CEIERN CCc1cc(C)c(C(=O)N2CCC([C@@H](C)O)CC2)o1 ZINC000161168952 367064208 /nfs/dbraw/zinc/06/42/08/367064208.db2.gz BMSUWHMCESCWFY-LLVKDONJSA-N 0 0 265.353 2.383 10 70 CEIERN C[C@H]1CC[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)O1 ZINC000159716412 162313133 /nfs/dbraw/zinc/31/31/33/162313133.db2.gz UIEPIZIVYDTHMM-KWQFWETISA-N 0 0 290.298 2.117 10 70 CEIERN CCOCCC1(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)CCC1 ZINC000159791994 162317174 /nfs/dbraw/zinc/31/71/74/162317174.db2.gz VJXVZYHLWXJVDA-KBPBESRZSA-N 0 0 298.427 2.450 10 70 CEIERN CSCCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160373897 162327018 /nfs/dbraw/zinc/32/70/18/162327018.db2.gz CAVPRLWRFNEFNN-UHFFFAOYSA-N 0 0 282.413 2.052 10 70 CEIERN Cn1cc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000159891350 279330847 /nfs/dbraw/zinc/33/08/47/279330847.db2.gz LCZJPIZSNIOSKA-CYBMUJFWSA-N 0 0 285.347 2.452 10 70 CEIERN NC(=O)c1cc(N[C@H]2CCCc3cc(N)ccc32)ccn1 ZINC000159490170 295173570 /nfs/dbraw/zinc/17/35/70/295173570.db2.gz INSUHYDFMONDAJ-AWEZNQCLSA-N 0 0 282.347 2.252 10 70 CEIERN C[C@H]1CC[C@H](C(=O)N2CCc3c(F)cccc3C2)O1 ZINC000160978981 297439797 /nfs/dbraw/zinc/43/97/97/297439797.db2.gz PYRUTOMZAQNDMC-IINYFYTJSA-N 0 0 263.312 2.278 10 70 CEIERN CCCCN(C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161464310 520384936 /nfs/dbraw/zinc/38/49/36/520384936.db2.gz HATLNJIOAYLZBM-GFCCVEGCSA-N 0 0 293.415 2.158 10 70 CEIERN CCC[C@@H](NC(=O)CO[C@H](C)CC)C(=O)OC(C)(C)C ZINC000161361445 520734660 /nfs/dbraw/zinc/73/46/60/520734660.db2.gz UUXSOGAZIVDQND-VXGBXAGGSA-N 0 0 287.400 2.428 10 70 CEIERN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)nc2)o1 ZINC000159827102 188444321 /nfs/dbraw/zinc/44/43/21/188444321.db2.gz PHXRPTVQFOIPMA-NSHDSACASA-N 0 0 287.319 2.107 10 70 CEIERN O=C(NO[C@H]1CCCCO1)N[C@H]1CCOc2ccccc21 ZINC000161224743 188516710 /nfs/dbraw/zinc/51/67/10/188516710.db2.gz ZCAUQDKFRMATII-JSGCOSHPSA-N 0 0 292.335 2.268 10 70 CEIERN O=C(c1ccc(C(F)(F)F)cn1)N1CCCC[C@H]1CO ZINC000161280240 188519227 /nfs/dbraw/zinc/51/92/27/188519227.db2.gz CKTOKIOBUHTAHA-JTQLQIEISA-N 0 0 288.269 2.087 10 70 CEIERN Cc1cccc(C(=O)N[C@H](C)[C@H]2CCCO2)c1F ZINC000161447223 188528726 /nfs/dbraw/zinc/52/87/26/188528726.db2.gz UBMWSHKNLCRVII-ZYHUDNBSSA-N 0 0 251.301 2.431 10 70 CEIERN O[C@@]12CCCC[C@H]1CN(Cc1nnc(C3CC3)o1)CC2 ZINC000161017088 540701445 /nfs/dbraw/zinc/70/14/45/540701445.db2.gz VYFAFAYZHJKCEJ-SWLSCSKDSA-N 0 0 277.368 2.074 10 70 CEIERN CC(C)OC(=O)NCCc1ccc2c(c1)OCCO2 ZINC000160328311 366995332 /nfs/dbraw/zinc/99/53/32/366995332.db2.gz BDZQCIITLMMNAH-UHFFFAOYSA-N 0 0 265.309 2.135 10 70 CEIERN CC(C)(C)c1nsc(NC[C@@H](O)c2ccncc2)n1 ZINC000160055417 366970802 /nfs/dbraw/zinc/97/08/02/366970802.db2.gz JXTBTAIZLZLZFJ-SNVBAGLBSA-N 0 0 278.381 2.376 10 70 CEIERN CCC[C@H](NC(=O)C1=COCCC1)C(=O)OC(C)(C)C ZINC000161429926 367086277 /nfs/dbraw/zinc/08/62/77/367086277.db2.gz QPHOHVJUDGRVGR-LBPRGKRZSA-N 0 0 283.368 2.307 10 70 CEIERN COCCN(C(=O)OC(C)(C)C)c1nnc2c[nH]ccc1-2 ZINC000217460982 370196706 /nfs/dbraw/zinc/19/67/06/370196706.db2.gz MKICATMCRJIQCV-UHFFFAOYSA-N 0 0 292.339 2.346 10 70 CEIERN COCCOc1cccc(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000159721384 533264482 /nfs/dbraw/zinc/26/44/82/533264482.db2.gz HQQVLOIREPAZSS-ZDUSSCGKSA-N 0 0 279.380 2.415 10 70 CEIERN C[C@@H]1CC[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)O1 ZINC000159716271 162313698 /nfs/dbraw/zinc/31/36/98/162313698.db2.gz UIEPIZIVYDTHMM-KCJUWKMLSA-N 0 0 290.298 2.117 10 70 CEIERN CCc1nc(C2(NC(=O)CO[C@H](C)CC)CCCC2)no1 ZINC000160504372 297436923 /nfs/dbraw/zinc/43/69/23/297436923.db2.gz XNTBLCLJCGNVHP-LLVKDONJSA-N 0 0 295.383 2.333 10 70 CEIERN CCOCCCCNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161272046 521700847 /nfs/dbraw/zinc/70/08/47/521700847.db2.gz MDMQEDKBXNTANJ-GDBMZVCRSA-N 0 0 298.427 2.140 10 70 CEIERN CC(C)(C)[C@H](O)CNC(=O)/C=C/c1cccc(F)c1 ZINC000159670161 188436154 /nfs/dbraw/zinc/43/61/54/188436154.db2.gz HHVAXXSBCJCENK-SBDDDAINSA-N 0 0 265.328 2.362 10 70 CEIERN CSCCCNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160374605 188468965 /nfs/dbraw/zinc/46/89/65/188468965.db2.gz IYRKZRHTILEBEK-UHFFFAOYSA-N 0 0 296.440 2.062 10 70 CEIERN CC(C)[C@H](O)CC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160646548 188484027 /nfs/dbraw/zinc/48/40/27/188484027.db2.gz LSVGLQYEHLMKNR-HUUCEWRRSA-N 0 0 293.363 2.200 10 70 CEIERN C[C@@H](CNc1nc(C(C)(C)C)ns1)N1CCOC[C@H]1C ZINC000159447923 366915227 /nfs/dbraw/zinc/91/52/27/366915227.db2.gz HUPBJFOJGBNANL-WDEREUQCSA-N 0 0 298.456 2.357 10 70 CEIERN COC(=O)[C@H](NCc1cnc2ccccn12)c1ccccc1 ZINC000159655672 366935450 /nfs/dbraw/zinc/93/54/50/366935450.db2.gz BZMSRHUYEUZMAP-MRXNPFEDSA-N 0 0 295.342 2.338 10 70 CEIERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(F)n1)C(C)C ZINC000160866863 367040203 /nfs/dbraw/zinc/04/02/03/367040203.db2.gz WDOGHBHEMHBNKE-CQSZACIVSA-N 0 0 295.358 2.346 10 70 CEIERN O=C(NO[C@@H]1CCCCO1)N[C@H]1CCOc2ccccc21 ZINC000161224510 367070322 /nfs/dbraw/zinc/07/03/22/367070322.db2.gz ZCAUQDKFRMATII-GXTWGEPZSA-N 0 0 292.335 2.268 10 70 CEIERN COc1cc(C(=O)N[C@@H](C)C(C)C)cc(OC)c1O ZINC000161262248 367073291 /nfs/dbraw/zinc/07/32/91/367073291.db2.gz LTFPMLLUINQJHI-VIFPVBQESA-N 0 0 267.325 2.184 10 70 CEIERN CCC[C@H](NC(=O)c1cscn1)C(=O)OC(C)(C)C ZINC000161326670 367078833 /nfs/dbraw/zinc/07/88/33/367078833.db2.gz YKBYDZMDWOQWCI-VIFPVBQESA-N 0 0 284.381 2.383 10 70 CEIERN CC(C)(C)c1nsc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1 ZINC000159938126 162319474 /nfs/dbraw/zinc/31/94/74/162319474.db2.gz KGRHIILYLIGXDX-WDEREUQCSA-N 0 0 297.424 2.220 10 70 CEIERN CN(C)c1nc2ccc(NC(=O)[C@H]3CCCOC3)cc2o1 ZINC000159910842 162319717 /nfs/dbraw/zinc/31/97/17/162319717.db2.gz SPRCOLFFGUAUOZ-JTQLQIEISA-N 0 0 289.335 2.259 10 70 CEIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](O)C1 ZINC000160116748 162322710 /nfs/dbraw/zinc/32/27/10/162322710.db2.gz XEYVVDNNBHQWER-BFHYXJOUSA-N 0 0 251.370 2.186 10 70 CEIERN CCOc1ccccc1N(C)Cc1nnnn1C(C)C ZINC000159406061 297428663 /nfs/dbraw/zinc/42/86/63/297428663.db2.gz QGQQWYQTAFHYDB-UHFFFAOYSA-N 0 0 275.356 2.289 10 70 CEIERN C[C@H](NC(=O)C1(C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000160118156 297433667 /nfs/dbraw/zinc/43/36/67/297433667.db2.gz HIHYJOBRZIZOOQ-JTQLQIEISA-N 0 0 281.377 2.067 10 70 CEIERN CCC[C@H](NC(=O)CO[C@@H](C)CC)C(=O)OC(C)(C)C ZINC000161361076 521125193 /nfs/dbraw/zinc/12/51/93/521125193.db2.gz UUXSOGAZIVDQND-RYUDHWBXSA-N 0 0 287.400 2.428 10 70 CEIERN CCC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)OC(C)(C)C ZINC000161440844 344464057 /nfs/dbraw/zinc/46/40/57/344464057.db2.gz WPQFRHFQPPPIDS-DCAQKATOSA-N 0 0 255.358 2.269 10 70 CEIERN NC(=O)c1ccc(N[C@H]2CCCc3cc(N)ccc32)nc1 ZINC000159507482 283382338 /nfs/dbraw/zinc/38/23/38/283382338.db2.gz FFYSEEYJWWUURD-AWEZNQCLSA-N 0 0 282.347 2.252 10 70 CEIERN CCCOC(=O)[C@H](C)N1CCO[C@H](c2nc(C)cs2)C1 ZINC000160041105 366966907 /nfs/dbraw/zinc/96/69/07/366966907.db2.gz UZJSTHCDAKQSOB-RYUDHWBXSA-N 0 0 298.408 2.167 10 70 CEIERN Cn1nccc1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160098401 366972556 /nfs/dbraw/zinc/97/25/56/366972556.db2.gz HADSVDMINHMSDV-KBPBESRZSA-N 0 0 261.369 2.253 10 70 CEIERN CCc1ncnc(N[C@@H](C)c2nnc3n2CCCC3)c1F ZINC000160601534 367020875 /nfs/dbraw/zinc/02/08/75/367020875.db2.gz NRBCBXRHHRZCNL-VIFPVBQESA-N 0 0 290.346 2.279 10 70 CEIERN CCCc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000160941618 367045628 /nfs/dbraw/zinc/04/56/28/367045628.db2.gz WPQVLACAOUOKMT-ZDUSSCGKSA-N 0 0 299.378 2.367 10 70 CEIERN CC(C)[C@H](O)CC(=O)NCc1nc(C(F)(F)F)cs1 ZINC000160674431 367027431 /nfs/dbraw/zinc/02/74/31/367027431.db2.gz VOLMGPGGRXJKEY-SSDOTTSWSA-N 0 0 296.314 2.185 10 70 CEIERN CCC[C@H](NC(=O)c1ccc(F)cn1)C(=O)OC(C)(C)C ZINC000161384908 367082766 /nfs/dbraw/zinc/08/27/66/367082766.db2.gz ISSJLQQMGUIFIP-LBPRGKRZSA-N 0 0 296.342 2.461 10 70 CEIERN Cn1cc(C(=O)c2ccc(C(F)(F)F)nc2)cn1 ZINC000217357059 370195079 /nfs/dbraw/zinc/19/50/79/370195079.db2.gz LJVYPJXDDYZQJL-UHFFFAOYSA-N 0 0 255.199 2.065 10 70 CEIERN COc1cc(OC)nc(N[C@@H]2CCOc3ccccc32)n1 ZINC000159784724 277387809 /nfs/dbraw/zinc/38/78/09/277387809.db2.gz VGBCJLYLUSMPIM-LLVKDONJSA-N 0 0 287.319 2.430 10 70 CEIERN CC(C)CC(=O)N[C@@H](C(=O)NCC1(C2CC2)CC1)C(C)C ZINC000160124782 297433712 /nfs/dbraw/zinc/43/37/12/297433712.db2.gz AVOJKFVQDMWWML-OAHLLOKOSA-N 0 0 294.439 2.480 10 70 CEIERN CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2ccc(O)cc2)C1 ZINC000160981208 518943906 /nfs/dbraw/zinc/94/39/06/518943906.db2.gz SUTYPRXKGRNFSB-LLVKDONJSA-N 0 0 283.393 2.449 10 70 CEIERN CC(C)c1nc([C@H]2CCCN2C(=O)C[C@H](O)C(C)C)no1 ZINC000161227552 519868037 /nfs/dbraw/zinc/86/80/37/519868037.db2.gz UGJJTNSLBNAEHR-NEPJUHHUSA-N 0 0 295.383 2.264 10 70 CEIERN CCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161374072 519872201 /nfs/dbraw/zinc/87/22/01/519872201.db2.gz FMJYOAVVCAZVFQ-KGLIPLIRSA-N 0 0 280.412 2.235 10 70 CEIERN C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CC(O)(C3CC3)C2)o1 ZINC000216959818 344535182 /nfs/dbraw/zinc/53/51/82/344535182.db2.gz HKABLYVPVDYEBR-OKTYWVLSSA-N 0 0 287.359 2.400 10 70 CEIERN COC(=O)c1cc(OC(C)C)cc(C(=O)OC)c1C ZINC000217951046 344535866 /nfs/dbraw/zinc/53/58/66/344535866.db2.gz HSUGWLURBWDZJI-UHFFFAOYSA-N 0 0 266.293 2.355 10 70 CEIERN Cc1cc(C)cc(CCNC(=O)C[C@@H](O)C(C)C)c1 ZINC000160715305 188488089 /nfs/dbraw/zinc/48/80/89/188488089.db2.gz SIHSEVUQKUXVMW-OAHLLOKOSA-N 0 0 263.381 2.369 10 70 CEIERN CC1(C)C[C@@H](NC(=O)Cc2cc[nH]n2)c2ccccc2O1 ZINC000159850084 540433934 /nfs/dbraw/zinc/43/39/34/540433934.db2.gz IJUQKGWYRYRFIG-CYBMUJFWSA-N 0 0 285.347 2.371 10 70 CEIERN Cc1ccc([C@@H](C)NC(=O)NCc2cnn(C)c2C)o1 ZINC000160083445 540444988 /nfs/dbraw/zinc/44/49/88/540444988.db2.gz QNTMDVWKTUILJM-SNVBAGLBSA-N 0 0 276.340 2.190 10 70 CEIERN C[C@@H]1CCCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C1 ZINC000159484896 366918310 /nfs/dbraw/zinc/91/83/10/366918310.db2.gz FRKVZDRPLIBEDQ-OLZOCXBDSA-N 0 0 292.383 2.183 10 70 CEIERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](C)NC(N)=O)c1 ZINC000160679161 367027063 /nfs/dbraw/zinc/02/70/63/367027063.db2.gz NSSLGBCBNDGQCO-OCCSQVGLSA-N 0 0 289.379 2.024 10 70 CEIERN CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160243248 162326157 /nfs/dbraw/zinc/32/61/57/162326157.db2.gz BPKHDPMXZBHHDC-ILXRZTDVSA-N 0 0 292.423 2.330 10 70 CEIERN CCC[C@@H](NC(=O)[C@H](C)SC)C(=O)OC(C)(C)C ZINC000161331161 520749111 /nfs/dbraw/zinc/74/91/11/520749111.db2.gz KQFBVUQUDXTZKG-VHSXEESVSA-N 0 0 275.414 2.365 10 70 CEIERN CCC[C@H](NC(=O)Nc1cnn(C)c1)C(=O)OC(C)(C)C ZINC000161359323 188523110 /nfs/dbraw/zinc/52/31/10/188523110.db2.gz PDHYUQFDXQBBGK-NSHDSACASA-N 0 0 296.371 2.052 10 70 CEIERN CNc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160806758 540123776 /nfs/dbraw/zinc/12/37/76/540123776.db2.gz RXAKYOJGOQXCRS-CXAGYDPISA-N 0 0 288.391 2.496 10 70 CEIERN CNc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160806893 540123944 /nfs/dbraw/zinc/12/39/44/540123944.db2.gz RXAKYOJGOQXCRS-DYVFJYSZSA-N 0 0 288.391 2.496 10 70 CEIERN CCC[C@@H](NC(=O)c1cscn1)C(=O)OC(C)(C)C ZINC000161326768 367077996 /nfs/dbraw/zinc/07/79/96/367077996.db2.gz YKBYDZMDWOQWCI-SECBINFHSA-N 0 0 284.381 2.383 10 70 CEIERN CC[C@H](O)CCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000160774529 367032932 /nfs/dbraw/zinc/03/29/32/367032932.db2.gz ACNIBYHHKQJVRF-MNOVXSKESA-N 0 0 254.330 2.109 10 70 CEIERN CC(C)(C)[C@H](O)CNC(=O)c1cc2c(s1)CCC2 ZINC000159667841 162310737 /nfs/dbraw/zinc/31/07/37/162310737.db2.gz OGYDLNLOUXASOC-GFCCVEGCSA-N 0 0 267.394 2.374 10 70 CEIERN Cn1cnc2cc(C(=O)NCC3(C)CCCC3)cnc21 ZINC000159819879 162315693 /nfs/dbraw/zinc/31/56/93/162315693.db2.gz GGFYDDCYWQJJJG-UHFFFAOYSA-N 0 0 272.352 2.278 10 70 CEIERN Nc1ccc2c(c1)CCC[C@H]2Nc1cn[nH]c(=O)c1Cl ZINC000159515828 279701948 /nfs/dbraw/zinc/70/19/48/279701948.db2.gz LSZCVMBJXPUEMO-LLVKDONJSA-N 0 0 290.754 2.495 10 70 CEIERN COc1cc(OC)nc(N[C@H]2CCc3cc(N)ccc32)n1 ZINC000159808992 297431130 /nfs/dbraw/zinc/43/11/30/297431130.db2.gz FHNXXBIGVHYUCQ-LBPRGKRZSA-N 0 0 286.335 2.175 10 70 CEIERN CCCCOC(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160806307 520718232 /nfs/dbraw/zinc/71/82/32/520718232.db2.gz KEIQKQWSHCNJHL-SQWLQELKSA-N 0 0 283.412 2.345 10 70 CEIERN CCC[C@H](NC(=O)CC[C@H]1CCOC1)C(=O)OC(C)(C)C ZINC000161501795 521122853 /nfs/dbraw/zinc/12/28/53/521122853.db2.gz LHBIELRGKZZZCQ-STQMWFEESA-N 0 0 299.411 2.430 10 70 CEIERN CC(C)(C)[SiH2]c1cnccc1NC(=O)C(C)(C)C ZINC000225931905 344548062 /nfs/dbraw/zinc/54/80/62/344548062.db2.gz UKWNWTGNGHHHQR-UHFFFAOYSA-N 0 0 264.445 2.079 10 70 CEIERN CCc1ncnc(N(C)[C@@H](C)C(=O)OC(C)(C)C)c1F ZINC000160326710 188466131 /nfs/dbraw/zinc/46/61/31/188466131.db2.gz LAMWFTLCWYOECJ-VIFPVBQESA-N 0 0 283.347 2.345 10 70 CEIERN COC[C@H](C)C(=O)NCCc1cc2ccccc2[nH]1 ZINC000159653515 540422905 /nfs/dbraw/zinc/42/29/05/540422905.db2.gz ZQXOJHAYHGLIMY-NSHDSACASA-N 0 0 260.337 2.109 10 70 CEIERN COC[C@@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159847954 366952554 /nfs/dbraw/zinc/95/25/54/366952554.db2.gz LPXHUSXZGKBNCW-SECBINFHSA-N 0 0 255.289 2.080 10 70 CEIERN CCc1nc(-c2ccccc2NC(=O)[C@H](C)COC)n[nH]1 ZINC000161259559 367072982 /nfs/dbraw/zinc/07/29/82/367072982.db2.gz UTMDZPZEPYPMFE-SNVBAGLBSA-N 0 0 288.351 2.255 10 70 CEIERN Cc1ccc2[nH]c([C@H](C)NC(=O)c3ccnnc3)nc2c1 ZINC000217169455 400307246 /nfs/dbraw/zinc/30/72/46/400307246.db2.gz JYYNXQBWMTXDTP-JTQLQIEISA-N 0 0 281.319 2.152 10 70 CEIERN Cc1cccc(C)c1NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000161108941 292440662 /nfs/dbraw/zinc/44/06/62/292440662.db2.gz LURJOHUNBGVORV-LBPRGKRZSA-N 0 0 285.351 2.031 10 70 CEIERN CC(C)[C@H](C)NC(=O)N1CCCN(CC(F)F)CC1 ZINC000159725643 162311893 /nfs/dbraw/zinc/31/18/93/162311893.db2.gz YKSMXXHPNFLZRM-NSHDSACASA-N 0 0 277.359 2.013 10 70 CEIERN C[C@@H]1CC[C@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)O1 ZINC000159716009 162313495 /nfs/dbraw/zinc/31/34/95/162313495.db2.gz UIEPIZIVYDTHMM-LDYMZIIASA-N 0 0 290.298 2.117 10 70 CEIERN COc1c(CNc2ccc(F)c(OC)c2)c(C)nn1C ZINC000160070261 162322743 /nfs/dbraw/zinc/32/27/43/162322743.db2.gz HSNQVAMEAHJCOH-UHFFFAOYSA-N 0 0 279.315 2.497 10 70 CEIERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CC(C)C ZINC000160123595 162323405 /nfs/dbraw/zinc/32/34/05/162323405.db2.gz GWGYOSSHJAKQNB-NWDGAFQWSA-N 0 0 293.415 2.409 10 70 CEIERN CC(C)n1ccnc1CS(=O)(=O)c1ccccc1 ZINC000160956227 280780080 /nfs/dbraw/zinc/78/00/80/280780080.db2.gz LLARFKSOURUFKP-UHFFFAOYSA-N 0 0 264.350 2.438 10 70 CEIERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cnc2ccccn12 ZINC000160946894 524302830 /nfs/dbraw/zinc/30/28/30/524302830.db2.gz LINGUOPRSBFXBE-LBPRGKRZSA-N 0 0 289.379 2.496 10 70 CEIERN CC1(C)C[C@H](NC(=O)Cc2cc[nH]n2)c2ccccc2O1 ZINC000159849937 539322569 /nfs/dbraw/zinc/32/25/69/539322569.db2.gz IJUQKGWYRYRFIG-ZDUSSCGKSA-N 0 0 285.347 2.371 10 70 CEIERN C[C@@H]1CC[C@H](C)N(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000160666219 344460535 /nfs/dbraw/zinc/46/05/35/344460535.db2.gz PGXCJPFILJKYSF-MNOVXSKESA-N 0 0 272.352 2.229 10 70 CEIERN CC(C)COc1ccc(NC(=O)C[C@H](O)C(C)C)cn1 ZINC000160333383 366997048 /nfs/dbraw/zinc/99/70/48/366997048.db2.gz AGRVYOMDPJYVJJ-ZDUSSCGKSA-N 0 0 280.368 2.462 10 70 CEIERN C[C@@H]1CC[C@@H](C(=O)Nc2cnc(-c3cccc(O)c3)nc2)O1 ZINC000159706700 162313711 /nfs/dbraw/zinc/31/37/11/162313711.db2.gz NHIXRDVQBVBGOT-YGRLFVJLSA-N 0 0 299.330 2.355 10 70 CEIERN Cc1cccc([C@H](C)NC(=O)CNCC(F)(F)F)c1 ZINC000160307891 297434863 /nfs/dbraw/zinc/43/48/63/297434863.db2.gz SUMKHZNLIZAGBE-JTQLQIEISA-N 0 0 274.286 2.324 10 70 CEIERN CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160596089 519315354 /nfs/dbraw/zinc/31/53/54/519315354.db2.gz QOWHTCASWOLBQA-RYUDHWBXSA-N 0 0 293.415 2.409 10 70 CEIERN CCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161373938 519871953 /nfs/dbraw/zinc/87/19/53/519871953.db2.gz FMJYOAVVCAZVFQ-ZIAGYGMSSA-N 0 0 280.412 2.235 10 70 CEIERN CCCCN(CCCC)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161291490 520491340 /nfs/dbraw/zinc/49/13/40/520491340.db2.gz JQXREJVSAKMEEW-CYBMUJFWSA-N 0 0 293.415 2.205 10 70 CEIERN CCC[C@@H](NC(=O)CCOCC)C(=O)OC(C)(C)C ZINC000161474796 520729633 /nfs/dbraw/zinc/72/96/33/520729633.db2.gz UNCBEAABAQSAQU-LLVKDONJSA-N 0 0 273.373 2.040 10 70 CEIERN CCC[C@H](NC(=O)CC[C@@H]1CCOC1)C(=O)OC(C)(C)C ZINC000161501556 521123274 /nfs/dbraw/zinc/12/32/74/521123274.db2.gz LHBIELRGKZZZCQ-OLZOCXBDSA-N 0 0 299.411 2.430 10 70 CEIERN COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)COC)o1 ZINC000161367643 523021279 /nfs/dbraw/zinc/02/12/79/523021279.db2.gz RTSTXYDARXYDSG-DGCLKSJQSA-N 0 0 281.352 2.372 10 70 CEIERN COc1cc(F)c(NC(=O)C[C@H](O)C(C)C)cc1OC ZINC000159378204 188422170 /nfs/dbraw/zinc/42/21/70/188422170.db2.gz YZMIJDSQRSGEAC-NSHDSACASA-N 0 0 285.315 2.188 10 70 CEIERN CNc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160807016 540123985 /nfs/dbraw/zinc/12/39/85/540123985.db2.gz RXAKYOJGOQXCRS-SUMWQHHRSA-N 0 0 288.391 2.496 10 70 CEIERN NC(=O)c1cc(N[C@@H]2CCCc3cc(N)ccc32)ccn1 ZINC000159490265 283367114 /nfs/dbraw/zinc/36/71/14/283367114.db2.gz INSUHYDFMONDAJ-CQSZACIVSA-N 0 0 282.347 2.252 10 70 CEIERN CCC[C@H](NC(=O)C1(CCOC)CC1)C(=O)OC(C)(C)C ZINC000161486818 521122067 /nfs/dbraw/zinc/12/20/67/521122067.db2.gz HFEVZBBQAVOJND-LBPRGKRZSA-N 0 0 299.411 2.430 10 70 CEIERN CCn1cc(C2CCN(Cc3nccn3CC)CC2)cn1 ZINC000160899635 523359201 /nfs/dbraw/zinc/35/92/01/523359201.db2.gz RUPXAWBBPTZXKY-UHFFFAOYSA-N 0 0 287.411 2.499 10 70 CEIERN CNC(=O)Cn1cc(NCc2ccc(Cl)cc2F)cn1 ZINC000160781566 524076394 /nfs/dbraw/zinc/07/63/94/524076394.db2.gz VHAGUWNEBBJKGU-UHFFFAOYSA-N 0 0 296.733 2.034 10 70 CEIERN C[C@@H]1CC[C@H](C)CN1C(=O)c1cnc2c(c1)ncn2C ZINC000160666625 344460487 /nfs/dbraw/zinc/46/04/87/344460487.db2.gz PGXCJPFILJKYSF-WDEREUQCSA-N 0 0 272.352 2.229 10 70 CEIERN Cc1ccc([C@@H](C)NC(=O)NO[C@H]2CCCCO2)o1 ZINC000161344553 188522564 /nfs/dbraw/zinc/52/25/64/188522564.db2.gz GCGSUMMBOMGTEG-PWSUYJOCSA-N 0 0 268.313 2.406 10 70 CEIERN Cc1cccc(C(=O)NCC[C@@H]2CCCO2)c1F ZINC000161435220 540821401 /nfs/dbraw/zinc/82/14/01/540821401.db2.gz JEWYQSQDGOWNGW-NSHDSACASA-N 0 0 251.301 2.433 10 70 CEIERN CC(C)CCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000159618576 366932464 /nfs/dbraw/zinc/93/24/64/366932464.db2.gz MSGKRWDNSKSDRD-GFCCVEGCSA-N 0 0 293.415 2.411 10 70 CEIERN C[C@@H]1COC[C@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000160640586 367023494 /nfs/dbraw/zinc/02/34/94/367023494.db2.gz QYFPHIUEUIMFPS-DTORHVGOSA-N 0 0 287.281 2.282 10 70 CEIERN O=C(NOCc1cccnc1)N[C@H]1CCOc2ccccc21 ZINC000161001170 367048109 /nfs/dbraw/zinc/04/81/09/367048109.db2.gz LYRQTGQGGXZDJC-AWEZNQCLSA-N 0 0 299.330 2.336 10 70 CEIERN C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC2)c2ccccc21 ZINC000159546081 296713392 /nfs/dbraw/zinc/71/33/92/296713392.db2.gz DROKANUOUQLNKI-YGRLFVJLSA-N 0 0 272.348 2.020 10 70 CEIERN Cc1cccc(C)c1NC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161108818 301974659 /nfs/dbraw/zinc/97/46/59/301974659.db2.gz LURJOHUNBGVORV-GFCCVEGCSA-N 0 0 285.351 2.031 10 70 CEIERN CC(=O)OC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000160090119 188454517 /nfs/dbraw/zinc/45/45/17/188454517.db2.gz DSNFIOFMNVPBNS-UHFFFAOYSA-N 0 0 283.397 2.368 10 70 CEIERN CCCC[C@H](CCC)NC(=O)N1CCC[C@H]1C(=O)NC ZINC000159495363 540412314 /nfs/dbraw/zinc/41/23/14/540412314.db2.gz LLIGSPWKPBTTHT-STQMWFEESA-N 0 0 283.416 2.265 10 70 CEIERN CC[C@@H](N[C@@H](C)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000159511117 366920834 /nfs/dbraw/zinc/92/08/34/366920834.db2.gz UYYNRSSYUGRQIZ-CMPLNLGQSA-N 0 0 279.336 2.060 10 70 CEIERN COC[C@H](C)C(=O)N(C)c1ccc(OC)c(F)c1 ZINC000159847843 366953775 /nfs/dbraw/zinc/95/37/75/366953775.db2.gz LPXHUSXZGKBNCW-VIFPVBQESA-N 0 0 255.289 2.080 10 70 CEIERN CCCOC(=O)[C@H](C)N1CC[C@H](CNc2ccccn2)C1 ZINC000160085119 366971899 /nfs/dbraw/zinc/97/18/99/366971899.db2.gz GTBCZQIKTXGJCO-UONOGXRCSA-N 0 0 291.395 2.157 10 70 CEIERN Cc1cccc([C@@H](C)NC(=O)CNCC(F)(F)F)c1 ZINC000160281793 366991174 /nfs/dbraw/zinc/99/11/74/366991174.db2.gz SUMKHZNLIZAGBE-SNVBAGLBSA-N 0 0 274.286 2.324 10 70 CEIERN CCCC[C@H](NC(=O)c1cnsn1)C(=O)OC(C)(C)C ZINC000161187742 367067501 /nfs/dbraw/zinc/06/75/01/367067501.db2.gz HJFPTEOJGUUULT-VIFPVBQESA-N 0 0 299.396 2.168 10 70 CEIERN CCC(CC)CN(CC)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161218299 521517089 /nfs/dbraw/zinc/51/70/89/521517089.db2.gz GVXJGQBWGQVQAE-ZDUSSCGKSA-N 0 0 293.415 2.061 10 70 CEIERN COc1c(CN(C)Cc2ccc(OC)cc2)c(C)nn1C ZINC000159862998 188444893 /nfs/dbraw/zinc/44/48/93/188444893.db2.gz WDQBJFFIFQIWSS-UHFFFAOYSA-N 0 0 289.379 2.378 10 70 CEIERN NC(=S)Nc1nc(-c2ccccn2)cc(C(F)(F)F)n1 ZINC000217030243 283397621 /nfs/dbraw/zinc/39/76/21/283397621.db2.gz IEYQJSHJEFTCBR-UHFFFAOYSA-N 0 0 299.281 2.213 10 70 CEIERN CC(=O)NCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159517213 366921629 /nfs/dbraw/zinc/92/16/29/366921629.db2.gz FNNXCKOJGVMMKA-GFCCVEGCSA-N 0 0 292.379 2.035 10 70 CEIERN C[C@]1(O)CCCN(C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000160045747 366968819 /nfs/dbraw/zinc/96/88/19/366968819.db2.gz HHPMIAROQTVIKI-HOCLYGCPSA-N 0 0 274.364 2.230 10 70 CEIERN CC(C)Cn1ccnc(N[C@@H]2CCO[C@@H](C3CC3)C2)c1=O ZINC000160304946 366993774 /nfs/dbraw/zinc/99/37/74/366993774.db2.gz KPXKSPIHVIKECV-ZIAGYGMSSA-N 0 0 291.395 2.269 10 70 CEIERN C[C@H]1COC[C@H](C)N1C(=O)Cc1cc(F)c(F)cc1F ZINC000160640707 367024525 /nfs/dbraw/zinc/02/45/25/367024525.db2.gz QYFPHIUEUIMFPS-IUCAKERBSA-N 0 0 287.281 2.282 10 70 CEIERN Cc1cc(C)cc(NC(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000160997324 367048478 /nfs/dbraw/zinc/04/84/78/367048478.db2.gz MZEPJVBUUYYBEW-LBPRGKRZSA-N 0 0 285.351 2.031 10 70 CEIERN O=C(NOCc1cccnc1)N[C@@H]1CCOc2ccccc21 ZINC000161001052 367048485 /nfs/dbraw/zinc/04/84/85/367048485.db2.gz LYRQTGQGGXZDJC-CQSZACIVSA-N 0 0 299.330 2.336 10 70 CEIERN C[C@H](NC(=O)N(C)CC(C)(C)O)c1ccc(F)c(F)c1 ZINC000161376767 367080782 /nfs/dbraw/zinc/08/07/82/367080782.db2.gz XEKPCFXDGPIERD-VIFPVBQESA-N 0 0 286.322 2.438 10 70 CEIERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ncnc2nc[nH]c21 ZINC000159507745 395058325 /nfs/dbraw/zinc/05/83/25/395058325.db2.gz MWFUZMHVKZAYTA-LBPRGKRZSA-N 0 0 280.335 2.425 10 70 CEIERN CCSCC[N@@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000160104698 162323754 /nfs/dbraw/zinc/32/37/54/162323754.db2.gz IJJWKWZCNREQQA-LBPRGKRZSA-N 0 0 268.430 2.231 10 70 CEIERN CCC[C@H](NC(=O)CCOC(C)C)C(=O)OC(C)(C)C ZINC000161375249 521122756 /nfs/dbraw/zinc/12/27/56/521122756.db2.gz LDQVZKVHFOPOHV-LBPRGKRZSA-N 0 0 287.400 2.428 10 70 CEIERN C[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)C[C@H](C)O1 ZINC000160668791 524651196 /nfs/dbraw/zinc/65/11/96/524651196.db2.gz JDBOITXFKFHQLI-STQMWFEESA-N 0 0 286.379 2.091 10 70 CEIERN O=S(=O)(Cl)CCOc1cccc(Cl)c1F ZINC000130724806 652322908 /nfs/dbraw/zinc/32/29/08/652322908.db2.gz OVBJCBVHWURSOF-UHFFFAOYSA-N 0 0 273.112 2.427 10 70 CEIERN C[C@@H](CC1CC1)NC(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159876738 344456135 /nfs/dbraw/zinc/45/61/35/344456135.db2.gz KICIDACQNQMWQH-AAEUAGOBSA-N 0 0 292.383 2.230 10 70 CEIERN CC(C)[C@@H](O)CC(=O)N1C[C@@H](C)Oc2cc(F)ccc21 ZINC000160936896 136551632 /nfs/dbraw/zinc/55/16/32/136551632.db2.gz VSWMTCRJOYANJL-MFKMUULPSA-N 0 0 281.327 2.347 10 70 CEIERN C[C@H]1CC[C@H](CO)CN1c1nc(C(C)(C)C)ns1 ZINC000160052336 188452591 /nfs/dbraw/zinc/45/25/91/188452591.db2.gz LGHLSZGRXYGHMB-UWVGGRQHSA-N 0 0 269.414 2.433 10 70 CEIERN Cc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1C ZINC000161290547 188520229 /nfs/dbraw/zinc/52/02/29/188520229.db2.gz VKSYEBRPLXEVGR-CYBMUJFWSA-N 0 0 285.351 2.031 10 70 CEIERN CCC[C@H](NC(=O)c1cccnc1)C(=O)OC(C)(C)C ZINC000161422962 188526169 /nfs/dbraw/zinc/52/61/69/188526169.db2.gz LLHFOFBZPAUZRI-LBPRGKRZSA-N 0 0 278.352 2.322 10 70 CEIERN Nc1ccc2c(c1)CCC[C@H]2Nc1nccn2cnnc12 ZINC000159484785 283673190 /nfs/dbraw/zinc/67/31/90/283673190.db2.gz YDJCRTNRKXFEGU-CYBMUJFWSA-N 0 0 280.335 2.196 10 70 CEIERN CC[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)C(=O)OC ZINC000159511379 366921158 /nfs/dbraw/zinc/92/11/58/366921158.db2.gz UYYNRSSYUGRQIZ-ZYHUDNBSSA-N 0 0 279.336 2.060 10 70 CEIERN CCc1nc(C2(NC(=O)CO[C@@H](C)CC)CCCC2)no1 ZINC000160504251 367010262 /nfs/dbraw/zinc/01/02/62/367010262.db2.gz XNTBLCLJCGNVHP-NSHDSACASA-N 0 0 295.383 2.333 10 70 CEIERN CCC[C@H](C(=O)Oc1ccc(NC(C)=O)cc1)N(C)C ZINC000161313576 367076274 /nfs/dbraw/zinc/07/62/74/367076274.db2.gz NLRNXSUXZKISJS-CQSZACIVSA-N 0 0 278.352 2.281 10 70 CEIERN CC(C)CCn1ccc(NC(=O)N[C@H]2CCCC[C@H]2O)n1 ZINC000160519676 519703918 /nfs/dbraw/zinc/70/39/18/519703918.db2.gz ZMZURKDGWCEVHX-QWHCGFSZSA-N 0 0 294.399 2.354 10 70 CEIERN CCCCN(C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161464421 520387930 /nfs/dbraw/zinc/38/79/30/520387930.db2.gz HATLNJIOAYLZBM-LBPRGKRZSA-N 0 0 293.415 2.158 10 70 CEIERN C[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)[C@H]1C ZINC000160597888 344459869 /nfs/dbraw/zinc/45/98/69/344459869.db2.gz PLEMIWXHNRBJEY-MNOVXSKESA-N 0 0 272.352 2.229 10 70 CEIERN CC(C)(C)[SiH2]c1cccnc1NC(=O)C(C)(C)C ZINC000225932313 344548002 /nfs/dbraw/zinc/54/80/02/344548002.db2.gz KZUHCGAAGHIEFO-UHFFFAOYSA-N 0 0 264.445 2.079 10 70 CEIERN C[C@@H](NC(=O)N1CC[C@H](CO)C1)c1ccc(F)c(F)c1 ZINC000160836778 188493645 /nfs/dbraw/zinc/49/36/45/188493645.db2.gz OMJACSMWZIBBAJ-ZJUUUORDSA-N 0 0 284.306 2.050 10 70 CEIERN CC(=O)c1ccnc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160484037 540117177 /nfs/dbraw/zinc/11/71/77/540117177.db2.gz 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/nfs/dbraw/zinc/85/03/72/278850372.db2.gz TWFWPUPBHSSGKE-UONOGXRCSA-N 0 0 280.412 2.173 10 70 CEIERN Cc1nc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]c1C ZINC000160365081 297435871 /nfs/dbraw/zinc/43/58/71/297435871.db2.gz YQGNDWRTLIXDOH-AWEZNQCLSA-N 0 0 297.358 2.194 10 70 CEIERN CC(C)n1ccnc1CS(=O)(=O)c1ccc(Cl)cn1 ZINC000161216990 520034792 /nfs/dbraw/zinc/03/47/92/520034792.db2.gz MAOVGLACJHVVIQ-UHFFFAOYSA-N 0 0 299.783 2.486 10 70 CEIERN CS[C@H](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160121847 295657096 /nfs/dbraw/zinc/65/70/96/295657096.db2.gz UQWYPOFHVSIJKH-GRYCIOLGSA-N 0 0 257.399 2.298 10 70 CEIERN CCC[C@@H]1SCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000159852094 162315215 /nfs/dbraw/zinc/31/52/15/162315215.db2.gz CZEJXBRZGWIXMN-LBPRGKRZSA-N 0 0 290.392 2.284 10 70 CEIERN N#Cc1ccc(C[C@H]2COCC[C@@H]2S(=O)(=O)Cl)cc1 ZINC000100272417 269963415 /nfs/dbraw/zinc/96/34/15/269963415.db2.gz SKQWNDBCZHYQPO-STQMWFEESA-N 0 0 299.779 2.074 10 70 CEIERN C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC2)c2ccccc21 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