smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(CNc1cccc(OC(F)(F)F)c1)OCC ZINC000159532381 346167586 /nfs/dbraw/zinc/16/75/86/346167586.db2.gz CEVYVEWLPHWDSB-UHFFFAOYSA-N 0 0 293.285 3.396 10 70 CGIERN Cc1ccc([C@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)o1 ZINC000159414681 372140770 /nfs/dbraw/zinc/14/07/70/372140770.db2.gz DGUZOSJVUYZPNX-JTQLQIEISA-N 0 0 275.352 3.234 10 70 CGIERN CC[C@@H](C)[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159449943 372144632 /nfs/dbraw/zinc/14/46/32/372144632.db2.gz DZAUZFLDHWXGDI-OTYXRUKQSA-N 0 0 280.318 3.332 10 70 CGIERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000159487998 372149398 /nfs/dbraw/zinc/14/93/98/372149398.db2.gz VHSOQMNDKGUMDT-VDDIYKPWSA-N 0 0 285.746 3.224 10 70 CGIERN Cc1ocnc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159582872 372157367 /nfs/dbraw/zinc/15/73/67/372157367.db2.gz WLBXNEMGBOJKHG-UHFFFAOYSA-N 0 0 286.306 3.052 10 70 CGIERN Cc1cccc([C@@H](C)[NH2+]Cc2nc(C)ccc2O)c1 ZINC000160148236 372219094 /nfs/dbraw/zinc/21/90/94/372219094.db2.gz GZEZHZRZIOFHAP-CYBMUJFWSA-N 0 0 256.349 3.255 10 70 CGIERN CC[C@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000159921268 372194081 /nfs/dbraw/zinc/19/40/81/372194081.db2.gz HTRFOYCHZZJJCZ-SNVBAGLBSA-N 0 0 280.318 3.334 10 70 CGIERN CC(C)(C(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CCCC1 ZINC000160125325 165477391 /nfs/dbraw/zinc/47/73/91/165477391.db2.gz XPBMQTYSTMSSQR-LSDHHAIUSA-N 0 0 279.424 3.373 10 70 CGIERN Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)no1 ZINC000160193618 301270554 /nfs/dbraw/zinc/27/05/54/301270554.db2.gz NRNJJMQJWOBCQJ-HUUCEWRRSA-N 0 0 276.380 3.158 10 70 CGIERN CCC[C@H](NC(=O)C(CC)CC)C(=O)OC(C)(C)C ZINC000161467512 321867820 /nfs/dbraw/zinc/86/78/20/321867820.db2.gz OORYERIHHOSHFL-LBPRGKRZSA-N 0 0 271.401 3.049 10 70 CGIERN Cc1ccc(C)c(S(=O)(=O)Cc2nccn2C(C)C)c1 ZINC000160956895 524185851 /nfs/dbraw/zinc/18/58/51/524185851.db2.gz RCENLVNMIKINIA-UHFFFAOYSA-N 0 0 292.404 3.055 10 70 CGIERN CCC[C@@H](NC(=O)c1sccc1C)C(=O)OC(C)(C)C ZINC000161355742 528994321 /nfs/dbraw/zinc/99/43/21/528994321.db2.gz LZNAFPJVXDCWBE-LLVKDONJSA-N 0 0 297.420 3.297 10 70 CGIERN Cc1cc(NC(=O)C[C@H](O)C(C)C)c2cccnc2c1C ZINC000161277422 232249633 /nfs/dbraw/zinc/24/96/33/232249633.db2.gz XITAPJPSRODQAI-HNNXBMFYSA-N 0 0 286.375 3.197 10 70 CGIERN CS[C@@H](CO)[C@@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159583986 372157653 /nfs/dbraw/zinc/15/76/53/372157653.db2.gz IKEHQTUBKJQRFO-OQPBUACISA-N 0 0 298.358 3.037 10 70 CGIERN O=C(c1ccccc1O)N1CC=C(c2ccccc2F)CC1 ZINC000159719569 372172450 /nfs/dbraw/zinc/17/24/50/372172450.db2.gz BVQODSMFJHRPGA-UHFFFAOYSA-N 0 0 297.329 3.461 10 70 CGIERN CCOC[C@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159818034 372183293 /nfs/dbraw/zinc/18/32/93/372183293.db2.gz OREALQUVAIKFDT-NSHDSACASA-N 0 0 292.329 3.376 10 70 CGIERN CC(C)[C@H](C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000160884612 372286039 /nfs/dbraw/zinc/28/60/39/372286039.db2.gz UYUHTWQPMOJGQP-NSHDSACASA-N 0 0 264.344 3.159 10 70 CGIERN CCc1cnc([C@@H](C)Nc2ncnc(CC)c2F)s1 ZINC000218058479 376183531 /nfs/dbraw/zinc/18/35/31/376183531.db2.gz NUTSNZIYWDOYHL-MRVPVSSYSA-N 0 0 280.372 3.370 10 70 CGIERN Cc1[nH]ccc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000159925024 392580941 /nfs/dbraw/zinc/58/09/41/392580941.db2.gz LZBBRDJMNNSCBY-AWEZNQCLSA-N 0 0 284.359 3.355 10 70 CGIERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCCSCC1 ZINC000160773865 304463950 /nfs/dbraw/zinc/46/39/50/304463950.db2.gz RCWBKMIKVOUNDK-KBPBESRZSA-N 0 0 267.438 3.168 10 70 CGIERN COC[C@H](C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159457728 277257155 /nfs/dbraw/zinc/25/71/55/277257155.db2.gz ANEZFFXWOBNFBO-HUBLWGQQSA-N 0 0 261.365 3.024 10 70 CGIERN CCCC[C@@H](NC(=O)c1ccc(C)o1)C(=O)OC(C)(C)C ZINC000161136850 321862673 /nfs/dbraw/zinc/86/26/73/321862673.db2.gz IPXFSLLEBJQHHW-GFCCVEGCSA-N 0 0 295.379 3.218 10 70 CGIERN Cc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1F ZINC000161411556 524214014 /nfs/dbraw/zinc/21/40/14/524214014.db2.gz CEVHIVIPGQYCCP-AWEZNQCLSA-N 0 0 285.318 3.388 10 70 CGIERN C[C@@]1(CO)CCC[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000159654969 525855430 /nfs/dbraw/zinc/85/54/30/525855430.db2.gz WQYFSPFWBRSOIN-ZBFHGGJFSA-N 0 0 292.329 3.476 10 70 CGIERN Cc1csc(CN(C)c2nc(C(C)(C)C)ns2)n1 ZINC000159548918 526341509 /nfs/dbraw/zinc/34/15/09/526341509.db2.gz CLDITZUIBIBARM-UHFFFAOYSA-N 0 0 282.438 3.237 10 70 CGIERN CCCOC(=O)[C@H](C)N1CCCC[C@@H]1c1nccs1 ZINC000160009435 188450843 /nfs/dbraw/zinc/45/08/43/188450843.db2.gz KAPQYTSGDRPIAD-NWDGAFQWSA-N 0 0 282.409 3.012 10 70 CGIERN CC(C)[C@H](C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000161115185 188508956 /nfs/dbraw/zinc/50/89/56/188508956.db2.gz RUWNFAOIRCWGPZ-ZJUUUORDSA-N 0 0 255.308 3.229 10 70 CGIERN Cc1[nH]ccc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000159924879 291464161 /nfs/dbraw/zinc/46/41/61/291464161.db2.gz LZBBRDJMNNSCBY-CQSZACIVSA-N 0 0 284.359 3.355 10 70 CGIERN O=C(c1ccc[nH]1)N1CC=C(c2ccccc2F)CC1 ZINC000159576192 372157923 /nfs/dbraw/zinc/15/79/23/372157923.db2.gz XUEJSZWCEJYHNK-UHFFFAOYSA-N 0 0 270.307 3.083 10 70 CGIERN Cc1ccc(C(=O)N2CC=C(c3ccccc3F)CC2)cn1 ZINC000159612092 372161872 /nfs/dbraw/zinc/16/18/72/372161872.db2.gz MMOWYXORPHNHAZ-UHFFFAOYSA-N 0 0 296.345 3.459 10 70 CGIERN CC[C@@H](C)OCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159696517 372170601 /nfs/dbraw/zinc/17/06/01/372170601.db2.gz KTKGJJZEELQCCT-CYBMUJFWSA-N 0 0 291.366 3.257 10 70 CGIERN CN(Cc1cc(Cl)cn1C)c1nc(C(C)(C)C)ns1 ZINC000159948709 372196199 /nfs/dbraw/zinc/19/61/99/372196199.db2.gz DBBRJXNPMNQHKK-UHFFFAOYSA-N 0 0 298.843 3.464 10 70 CGIERN CN(CCOCC1CC1)c1ccnc2c(F)cc(F)cc12 ZINC000159933801 372196775 /nfs/dbraw/zinc/19/67/75/372196775.db2.gz GQFPDUZEEXCXKE-UHFFFAOYSA-N 0 0 292.329 3.376 10 70 CGIERN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C)cc1N ZINC000161292685 372315109 /nfs/dbraw/zinc/31/51/09/372315109.db2.gz MZWRUEBKUKWJMT-GJZGRUSLSA-N 0 0 296.370 3.328 10 70 CGIERN CN(C[C@H]1CCCOC1)c1ccnc2c(F)cc(F)cc12 ZINC000159388820 282560943 /nfs/dbraw/zinc/56/09/43/282560943.db2.gz JGEWLHBKOPWRKW-LLVKDONJSA-N 0 0 292.329 3.376 10 70 CGIERN O=C(Nc1cccc2c1C(=O)NC2)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159628537 372162602 /nfs/dbraw/zinc/16/26/02/372162602.db2.gz OHRPTQXJEICVQF-UONOGXRCSA-N 0 0 298.386 3.085 10 70 CGIERN C[C@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159640274 372164747 /nfs/dbraw/zinc/16/47/47/372164747.db2.gz SJYIWMSVUGVFJG-SMDDNHRTSA-N 0 0 259.324 3.097 10 70 CGIERN CSCC[C@@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000160009391 372202833 /nfs/dbraw/zinc/20/28/33/372202833.db2.gz GZZUIOCNMVNYIX-JTQLQIEISA-N 0 0 298.358 3.039 10 70 CGIERN CCOC(=O)[C@H](C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159871296 165471216 /nfs/dbraw/zinc/47/12/16/165471216.db2.gz ILVPRMLYCPGRDS-SECBINFHSA-N 0 0 294.301 3.124 10 70 CGIERN CC1(C)C[C@@H](NC(=O)c2ccc[nH]2)c2ccccc2O1 ZINC000159958180 275859119 /nfs/dbraw/zinc/85/91/19/275859119.db2.gz AEJPQTFSUABXIY-CYBMUJFWSA-N 0 0 270.332 3.047 10 70 CGIERN C[C@H]1OCCN(c2ccnc3c(F)cc(F)cc23)[C@@H]1C ZINC000159996973 278516437 /nfs/dbraw/zinc/51/64/37/278516437.db2.gz BLVMFPQMXXJTIK-NXEZZACHSA-N 0 0 278.302 3.127 10 70 CGIERN O=C(NCCOC1CCCC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161173673 346174331 /nfs/dbraw/zinc/17/43/31/346174331.db2.gz GDCHOJXLJVJDBK-CVEARBPZSA-N 0 0 279.424 3.278 10 70 CGIERN COc1cccnc1N[C@@H]1CCCc2cc(N)ccc21 ZINC000159504481 372151033 /nfs/dbraw/zinc/15/10/33/372151033.db2.gz UBIHEMRPGJQASH-CQSZACIVSA-N 0 0 269.348 3.162 10 70 CGIERN C[C@H]1CN(C(=O)C2CCC(C)(C)CC2)CCS1 ZINC000160018902 372204931 /nfs/dbraw/zinc/20/49/31/372204931.db2.gz ZBGQYGRZBMWTLC-NSHDSACASA-N 0 0 255.427 3.167 10 70 CGIERN CC(C)(C)c1nsc(N[C@H]2CCCCC[C@H]2CO)n1 ZINC000159941066 165472092 /nfs/dbraw/zinc/47/20/92/165472092.db2.gz ZTDGSFKHPDFOQH-QWRGUYRKSA-N 0 0 283.441 3.189 10 70 CGIERN C[C@H]1C[C@H]1NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159722075 346168725 /nfs/dbraw/zinc/16/87/25/346168725.db2.gz MBDZPAQHHGGXEK-XJKSGUPXSA-N 0 0 287.407 3.453 10 70 CGIERN CCc1nnc(CN[C@@H](C)c2ccc3ccccc3c2)[nH]1 ZINC000160267705 372231345 /nfs/dbraw/zinc/23/13/45/372231345.db2.gz MARPXIMJKGPAGL-LBPRGKRZSA-N 0 0 280.375 3.371 10 70 CGIERN Cc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000161438258 372326002 /nfs/dbraw/zinc/32/60/02/372326002.db2.gz BHEZLRJWXSZRAN-CQSZACIVSA-N 0 0 274.389 3.025 10 70 CGIERN Cc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000161146565 346174242 /nfs/dbraw/zinc/17/42/42/346174242.db2.gz OZDUFGGEKDTRCS-JKSUJKDBSA-N 0 0 272.392 3.223 10 70 CGIERN CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000160891505 188496226 /nfs/dbraw/zinc/49/62/26/188496226.db2.gz YIGXVAAQTHWEBK-ZJUUUORDSA-N 0 0 287.762 3.471 10 70 CGIERN CN(c1nc(C(C)(C)C)ns1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000159600027 372158869 /nfs/dbraw/zinc/15/88/69/372158869.db2.gz BYURKCBWJJVSPO-AXFHLTTASA-N 0 0 295.452 3.085 10 70 CGIERN CS[C@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000160163548 372220362 /nfs/dbraw/zinc/22/03/62/372220362.db2.gz KGOVJNSVUHTCRZ-MNOVXSKESA-N 0 0 284.400 3.246 10 70 CGIERN Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2C2CCCCC2)no1 ZINC000160193744 372223925 /nfs/dbraw/zinc/22/39/25/372223925.db2.gz NRNJJMQJWOBCQJ-CABCVRRESA-N 0 0 276.380 3.158 10 70 CGIERN C[C@H](CCCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159933483 372195711 /nfs/dbraw/zinc/19/57/11/372195711.db2.gz PWACWAUIGRZNNR-SECBINFHSA-N 0 0 266.291 3.086 10 70 CGIERN CCCCOC(=O)[C@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000160003050 372203212 /nfs/dbraw/zinc/20/32/12/372203212.db2.gz SXXCAHDTKDBMJE-STQMWFEESA-N 0 0 296.436 3.054 10 70 CGIERN Cn1nccc1C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000160521025 372253672 /nfs/dbraw/zinc/25/36/72/372253672.db2.gz UEPJFOMCKFXPLB-UHFFFAOYSA-N 0 0 291.345 3.078 10 70 CGIERN CCCC[C@@H](NC(=O)[C@H]1CC=CCC1)C(=O)OC(C)(C)C ZINC000161100992 372302295 /nfs/dbraw/zinc/30/22/95/372302295.db2.gz PEDMXLHFEYWBOH-UONOGXRCSA-N 0 0 295.423 3.359 10 70 CGIERN Cc1cc(NC(=O)C[C@@H](O)C(C)C)c2cccnc2c1C ZINC000161277554 533951650 /nfs/dbraw/zinc/95/16/50/533951650.db2.gz XITAPJPSRODQAI-OAHLLOKOSA-N 0 0 286.375 3.197 10 70 CGIERN CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000159689941 282176448 /nfs/dbraw/zinc/17/64/48/282176448.db2.gz DJCKRPFWLFMBHM-JSGCOSHPSA-N 0 0 255.402 3.227 10 70 CGIERN O=C(NCCOC1CCCC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161173908 346174722 /nfs/dbraw/zinc/17/47/22/346174722.db2.gz GDCHOJXLJVJDBK-HZPDHXFCSA-N 0 0 279.424 3.278 10 70 CGIERN CC(C)COc1ccc([C@H](C)NC(=O)C2CC2)cc1 ZINC000159664474 372165688 /nfs/dbraw/zinc/16/56/88/372165688.db2.gz MDKAEWVVOJRZIG-LBPRGKRZSA-N 0 0 261.365 3.309 10 70 CGIERN O=C(Cc1cccnc1)N1CC=C(c2ccccc2F)CC1 ZINC000159736111 372174575 /nfs/dbraw/zinc/17/45/75/372174575.db2.gz BDGSJKZKTLCLIR-UHFFFAOYSA-N 0 0 296.345 3.079 10 70 CGIERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159759673 372176435 /nfs/dbraw/zinc/17/64/35/372176435.db2.gz XYZOMJZTJNVQCY-BDJLRTHQSA-N 0 0 296.370 3.052 10 70 CGIERN C[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccc(Br)cc1 ZINC000161278857 372314148 /nfs/dbraw/zinc/31/41/48/372314148.db2.gz KUEAJTBPBJNJTQ-PTRXPTGYSA-N 0 0 282.181 3.077 10 70 CGIERN COCCn1c2ccccc2c2ccc(C(=O)OC)cc21 ZINC000216861531 376168023 /nfs/dbraw/zinc/16/80/23/376168023.db2.gz XKPAXCSQQNGKKG-UHFFFAOYSA-N 0 0 283.327 3.228 10 70 CGIERN COC(=O)c1nc(-c2cccc(C)c2)cc(C(F)(F)F)n1 ZINC000217035945 376171419 /nfs/dbraw/zinc/17/14/19/376171419.db2.gz RQTYSADPWBLJIK-UHFFFAOYSA-N 0 0 296.248 3.257 10 70 CGIERN CCCn1nccc1CN[C@@H](C)c1cc(F)ccc1F ZINC000160008099 542152413 /nfs/dbraw/zinc/15/24/13/542152413.db2.gz SBYNCSSFDOLCLP-NSHDSACASA-N 0 0 279.334 3.422 10 70 CGIERN O[C@@]12CCCC[C@@H]1CN(c1nccc3sccc31)CC2 ZINC000160689110 542155057 /nfs/dbraw/zinc/15/50/57/542155057.db2.gz RJSYENHFMPWTAU-MLGOLLRUSA-N 0 0 288.416 3.428 10 70 CGIERN CC(C)CC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159722906 165469072 /nfs/dbraw/zinc/46/90/72/165469072.db2.gz QREIVQSRYIYTRR-UHFFFAOYSA-N 0 0 261.340 3.488 10 70 CGIERN CC(C)(C)c1nsc(N[C@@H]2CCCCC[C@@H]2CO)n1 ZINC000159940665 165471113 /nfs/dbraw/zinc/47/11/13/165471113.db2.gz ZTDGSFKHPDFOQH-GHMZBOCLSA-N 0 0 283.441 3.189 10 70 CGIERN O=S(=O)(Cl)c1ccc(Cl)cc1OC(F)(F)F ZINC000139994451 346102232 /nfs/dbraw/zinc/10/22/32/346102232.db2.gz XTYSXGIKUCWFNC-UHFFFAOYSA-N 0 0 295.065 3.166 10 70 CGIERN CCC[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159447493 372144423 /nfs/dbraw/zinc/14/44/23/372144423.db2.gz BUHARTJCVHQRKL-SNVBAGLBSA-N 0 0 266.291 3.086 10 70 CGIERN C[C@H]1CC[C@H](C(=O)N2C[C@H](C)CSc3ccccc32)O1 ZINC000159697804 372169532 /nfs/dbraw/zinc/16/95/32/372169532.db2.gz HLARBWLNRIRTQJ-SGMGOOAPSA-N 0 0 291.416 3.329 10 70 CGIERN Cc1nc(NC(=O)C[C@H](C)C(C)C)cc(C2CC2)n1 ZINC000160137622 372216222 /nfs/dbraw/zinc/21/62/22/372216222.db2.gz QZBLJMHOUZSWDM-JTQLQIEISA-N 0 0 261.369 3.283 10 70 CGIERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(C)C ZINC000160362195 372241169 /nfs/dbraw/zinc/24/11/69/372241169.db2.gz UTXWSOMGQDKNFW-TUAOUCFPSA-N 0 0 251.395 3.321 10 70 CGIERN CC(C)OCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159687036 165467377 /nfs/dbraw/zinc/46/73/77/165467377.db2.gz HJOHNLXWWZBFII-UHFFFAOYSA-N 0 0 291.366 3.257 10 70 CGIERN C[C@]1(CNc2ccnc3c(F)cc(F)cc23)CCCO1 ZINC000159922127 165472511 /nfs/dbraw/zinc/47/25/11/165472511.db2.gz RKOYCOWPHINECJ-OAHLLOKOSA-N 0 0 278.302 3.494 10 70 CGIERN C[C@H]1CC[C@@H](C(=O)N2C[C@H](C)CSc3ccccc32)O1 ZINC000159698070 321839324 /nfs/dbraw/zinc/83/93/24/321839324.db2.gz HLARBWLNRIRTQJ-OBJOEFQTSA-N 0 0 291.416 3.329 10 70 CGIERN CCCC[C@@H](NC(=O)[C@H](C)C1CC1)C(=O)OC(C)(C)C ZINC000161120107 321862838 /nfs/dbraw/zinc/86/28/38/321862838.db2.gz SOVPYBGCXIZQAC-DGCLKSJQSA-N 0 0 283.412 3.049 10 70 CGIERN CCC[C@H](NC(=O)c1cccc(F)c1)C(=O)OC(C)(C)C ZINC000161481949 321868465 /nfs/dbraw/zinc/86/84/65/321868465.db2.gz XZCRYZQWERKUIB-ZDUSSCGKSA-N 0 0 295.354 3.066 10 70 CGIERN CC(C)(C)[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159450514 518971206 /nfs/dbraw/zinc/97/12/06/518971206.db2.gz HZNJZZPHPCJVBN-CYBMUJFWSA-N 0 0 280.318 3.332 10 70 CGIERN CC(C)c1nc(CN2CCC(c3cc[nH]n3)CC2)cs1 ZINC000160550501 519862499 /nfs/dbraw/zinc/86/24/99/519862499.db2.gz IOZVGTIOQQWDGI-UHFFFAOYSA-N 0 0 290.436 3.369 10 70 CGIERN CCS[C@@H]1CC[C@H](Nc2ncnc(CC)c2F)C1 ZINC000218050467 138492591 /nfs/dbraw/zinc/49/25/91/138492591.db2.gz IORNMYZTYDVWNW-VHSXEESVSA-N 0 0 269.389 3.264 10 70 CGIERN Cc1csc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000159782628 372179986 /nfs/dbraw/zinc/17/99/86/372179986.db2.gz WPQKVQXAGCWXSH-STQMWFEESA-N 0 0 278.421 3.284 10 70 CGIERN Cc1ncccc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159649529 372165168 /nfs/dbraw/zinc/16/51/68/372165168.db2.gz KYCMVHWKDVJZJO-UHFFFAOYSA-N 0 0 296.345 3.459 10 70 CGIERN CCCCOC(=O)[C@@H](C)N1CCCC[C@@H]1c1nccs1 ZINC000160008994 372202745 /nfs/dbraw/zinc/20/27/45/372202745.db2.gz GALFNASFLCVJSP-CHWSQXEVSA-N 0 0 296.436 3.402 10 70 CGIERN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160797362 372275814 /nfs/dbraw/zinc/27/58/14/372275814.db2.gz KVURANFJFAURGE-OLZOCXBDSA-N 0 0 261.369 3.181 10 70 CGIERN C[C@@H]1CN(C(=O)Nc2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000217313052 376173271 /nfs/dbraw/zinc/17/32/71/376173271.db2.gz CZVMBKRPGGMFTM-RKDXNWHRSA-N 0 0 286.734 3.120 10 70 CGIERN CCc1ccsc1CNc1ncnc(CC)c1F ZINC000218065130 376182423 /nfs/dbraw/zinc/18/24/23/376182423.db2.gz OBGOCEHINKFARL-UHFFFAOYSA-N 0 0 265.357 3.414 10 70 CGIERN CCS[C@H]1CC[C@@H](Nc2ncnc(CC)c2F)C1 ZINC000218050394 138492935 /nfs/dbraw/zinc/49/29/35/138492935.db2.gz IORNMYZTYDVWNW-ZJUUUORDSA-N 0 0 269.389 3.264 10 70 CGIERN CC(C)C[C@@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159391774 372139847 /nfs/dbraw/zinc/13/98/47/372139847.db2.gz LQJOLQJTPIBPMS-NSHDSACASA-N 0 0 280.318 3.332 10 70 CGIERN c1csc([C@@H]2CN(CCC3CCCC3)CCO2)n1 ZINC000160111863 372214801 /nfs/dbraw/zinc/21/48/01/372214801.db2.gz MCFNKRRVJKHPKJ-ZDUSSCGKSA-N 0 0 266.410 3.097 10 70 CGIERN C[C@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 ZINC000160289360 372233950 /nfs/dbraw/zinc/23/39/50/372233950.db2.gz DKBNOSLXBVEJBZ-AAEUAGOBSA-N 0 0 289.404 3.329 10 70 CGIERN Cc1cccc(-c2cc(C(F)(F)F)[nH]c(=O)n2)c1 ZINC000217026898 376171517 /nfs/dbraw/zinc/17/15/17/376171517.db2.gz PRZOSUYSMPXJGN-UHFFFAOYSA-N 0 0 254.211 3.176 10 70 CGIERN CC(C)[C@@H](C)NC(=O)c1cc(F)c(Cl)cc1F ZINC000161114155 321862393 /nfs/dbraw/zinc/86/23/93/321862393.db2.gz VTCXTSUSEQVEHM-SSDOTTSWSA-N 0 0 261.699 3.393 10 70 CGIERN CC(C)[C@H](C)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000161362817 321866351 /nfs/dbraw/zinc/86/63/51/321866351.db2.gz FCDUDNJBHCMORY-LBPRGKRZSA-N 0 0 298.814 3.200 10 70 CGIERN COc1nc(C)nc(N[C@@H]2CCO[C@@H]2c2ccccc2)c1C ZINC000159415791 372141041 /nfs/dbraw/zinc/14/10/41/372141041.db2.gz LLLYYOAVXYAKTG-HUUCEWRRSA-N 0 0 299.374 3.044 10 70 CGIERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1c(F)cccc1Cl ZINC000159488186 372149408 /nfs/dbraw/zinc/14/94/08/372149408.db2.gz VHSOQMNDKGUMDT-PTRXPTGYSA-N 0 0 285.746 3.224 10 70 CGIERN CCOCCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159563810 372155511 /nfs/dbraw/zinc/15/55/11/372155511.db2.gz LBKCHCMQGOKAAO-UHFFFAOYSA-N 0 0 291.366 3.258 10 70 CGIERN CS[C@@H](CO)[C@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159583871 372157325 /nfs/dbraw/zinc/15/73/25/372157325.db2.gz IKEHQTUBKJQRFO-SDBXPKJASA-N 0 0 298.358 3.037 10 70 CGIERN CC[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159603949 372161571 /nfs/dbraw/zinc/16/15/71/372161571.db2.gz XLGFAHXNMDCTQQ-JTQLQIEISA-N 0 0 266.291 3.086 10 70 CGIERN Cn1cccc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159721233 372172317 /nfs/dbraw/zinc/17/23/17/372172317.db2.gz ACVFGVZNZIPTIY-UHFFFAOYSA-N 0 0 284.334 3.094 10 70 CGIERN CC1(C)CCC(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000159416873 392580812 /nfs/dbraw/zinc/58/08/12/392580812.db2.gz BMVBVJQFZGTZOI-YJBOKZPZSA-N 0 0 293.451 3.356 10 70 CGIERN C[C@@H]1CC[C@@H](NC(=O)C2(O)CCCC2)c2ccccc21 ZINC000159468319 287696444 /nfs/dbraw/zinc/69/64/44/287696444.db2.gz XBRUQFYYPBQCSU-IUODEOHRSA-N 0 0 273.376 3.046 10 70 CGIERN CC1(C)C[C@@H](NC(=O)c2cc[nH]c2)c2ccccc2O1 ZINC000159817096 281315194 /nfs/dbraw/zinc/31/51/94/281315194.db2.gz NGAVTFDWUGHNFV-CYBMUJFWSA-N 0 0 270.332 3.047 10 70 CGIERN Cc1ccccc1[C@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159711549 281382299 /nfs/dbraw/zinc/38/22/99/281382299.db2.gz HPLULNUIFCLDLA-KBPBESRZSA-N 0 0 284.407 3.335 10 70 CGIERN C[C@H]1CN(Cc2noc(C3CCCCC3)n2)CCS1 ZINC000159842637 321841885 /nfs/dbraw/zinc/84/18/85/321841885.db2.gz PZFWOLISIWUALG-NSHDSACASA-N 0 0 281.425 3.055 10 70 CGIERN CCCC[C@@H](NC(=O)c1ccccc1)C(=O)OC(C)(C)C ZINC000161204878 321863801 /nfs/dbraw/zinc/86/38/01/321863801.db2.gz JDOSFFOVZLMMPQ-CQSZACIVSA-N 0 0 291.391 3.317 10 70 CGIERN CCCC[C@@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C ZINC000161195977 321863861 /nfs/dbraw/zinc/86/38/61/321863861.db2.gz USIPVFZBLDFQIZ-CYBMUJFWSA-N 0 0 283.412 3.193 10 70 CGIERN CCC[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159447361 521191086 /nfs/dbraw/zinc/19/10/86/521191086.db2.gz BUHARTJCVHQRKL-JTQLQIEISA-N 0 0 266.291 3.086 10 70 CGIERN CSC[C@](C)(O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159579172 525719742 /nfs/dbraw/zinc/71/97/42/525719742.db2.gz MTBDAKDSVLJGFK-CQSZACIVSA-N 0 0 298.358 3.039 10 70 CGIERN O=C(C1=COCCC1)N1CC=C(c2ccccc2F)CC1 ZINC000159616971 526277571 /nfs/dbraw/zinc/27/75/71/526277571.db2.gz UNECXTOFFVIXCV-UHFFFAOYSA-N 0 0 287.334 3.136 10 70 CGIERN COc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C)cc1N ZINC000161292808 188519998 /nfs/dbraw/zinc/51/99/98/188519998.db2.gz MZWRUEBKUKWJMT-CABCVRRESA-N 0 0 296.370 3.328 10 70 CGIERN CC[C@H](C)[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159449762 372144399 /nfs/dbraw/zinc/14/43/99/372144399.db2.gz DZAUZFLDHWXGDI-LKFCYVNXSA-N 0 0 280.318 3.332 10 70 CGIERN CS[C@H](CO)[C@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159583647 372157616 /nfs/dbraw/zinc/15/76/16/372157616.db2.gz IKEHQTUBKJQRFO-ISVAXAHUSA-N 0 0 298.358 3.037 10 70 CGIERN O=C(C1CC=CC1)N1CC=C(c2ccccc2F)CC1 ZINC000159600671 372159011 /nfs/dbraw/zinc/15/90/11/372159011.db2.gz KJYSPQWXAMRPLO-UHFFFAOYSA-N 0 0 271.335 3.408 10 70 CGIERN CCC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000161150391 372305638 /nfs/dbraw/zinc/30/56/38/372305638.db2.gz WADGSGWXUMQJSC-LBPRGKRZSA-N 0 0 288.313 3.374 10 70 CGIERN CC(C)c1nc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000160809573 519863227 /nfs/dbraw/zinc/86/32/27/519863227.db2.gz SACZXAPCDLJCSD-CJNGLKHVSA-N 0 0 294.464 3.394 10 70 CGIERN Clc1ccccc1CN1CCO[C@H](c2nccs2)C1 ZINC000161433541 526989731 /nfs/dbraw/zinc/98/97/31/526989731.db2.gz HIFLCLLHOMNWLI-ZDUSSCGKSA-N 0 0 294.807 3.370 10 70 CGIERN CC[C@@H](Nc1nc(OC)cc(OC)n1)c1ccccc1 ZINC000159783869 529213093 /nfs/dbraw/zinc/21/30/93/529213093.db2.gz HKCZRSWYYMUKHO-GFCCVEGCSA-N 0 0 273.336 3.057 10 70 CGIERN C[C@@]1(CO)CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160083440 136708263 /nfs/dbraw/zinc/70/82/63/136708263.db2.gz QTNLNKHANOGOJR-MRXNPFEDSA-N 0 0 292.329 3.112 10 70 CGIERN CN(c1nc(C(C)(C)C)ns1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000159599749 372158791 /nfs/dbraw/zinc/15/87/91/372158791.db2.gz BYURKCBWJJVSPO-MXWKQRLJSA-N 0 0 295.452 3.085 10 70 CGIERN CC(C)[C@@H](O)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159667070 372166713 /nfs/dbraw/zinc/16/67/13/372166713.db2.gz PUTFRRHAMAZMOW-KCXAZCMYSA-N 0 0 275.392 3.148 10 70 CGIERN Cc1ccccc1[C@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000159711792 372171350 /nfs/dbraw/zinc/17/13/50/372171350.db2.gz HPLULNUIFCLDLA-UONOGXRCSA-N 0 0 284.407 3.335 10 70 CGIERN O[C@@]12CCCC[C@@H]1CN(c1ncc(Cl)cc1F)CC2 ZINC000160763510 372272605 /nfs/dbraw/zinc/27/26/05/372272605.db2.gz WHNNFRJHTSIDCX-QMTHXVAHSA-N 0 0 284.762 3.006 10 70 CGIERN CCCC[C@@H](NC(=O)C1=CCCC1)C(=O)OC(C)(C)C ZINC000161140255 372303704 /nfs/dbraw/zinc/30/37/04/372303704.db2.gz ICNQRKISSYMTAM-CYBMUJFWSA-N 0 0 281.396 3.113 10 70 CGIERN CCc1ncnc(N[C@H]2CCOc3ccccc32)c1F ZINC000217959520 392996533 /nfs/dbraw/zinc/99/65/33/392996533.db2.gz CEALXWYFMSRVDR-LBPRGKRZSA-N 0 0 273.311 3.114 10 70 CGIERN CC(C)(C)c1nsc(N[C@@H]2CCCCC[C@H]2CO)n1 ZINC000159940938 165471813 /nfs/dbraw/zinc/47/18/13/165471813.db2.gz ZTDGSFKHPDFOQH-WDEREUQCSA-N 0 0 283.441 3.189 10 70 CGIERN COc1nc(C)nc(N[C@H]2CCO[C@H]2c2ccccc2)c1C ZINC000159416196 295453197 /nfs/dbraw/zinc/45/31/97/295453197.db2.gz LLLYYOAVXYAKTG-GJZGRUSLSA-N 0 0 299.374 3.044 10 70 CGIERN CCC[C@](C)(O)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159760931 321840218 /nfs/dbraw/zinc/84/02/18/321840218.db2.gz DZJVKRJUABXACH-NUTKFTJISA-N 0 0 275.392 3.292 10 70 CGIERN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(N)=O ZINC000160786198 232246536 /nfs/dbraw/zinc/24/65/36/232246536.db2.gz ORYDUNPZADLGEY-SSDOTTSWSA-N 0 0 299.161 3.290 10 70 CGIERN C[SiH](C)c1cccc2cccc(Br)c21 ZINC000584616290 346693891 /nfs/dbraw/zinc/69/38/91/346693891.db2.gz MGICUPTXZRCSKR-UHFFFAOYSA-N 0 0 265.226 3.296 10 70 CGIERN Cc1csc(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)n1 ZINC000159782486 188441158 /nfs/dbraw/zinc/44/11/58/188441158.db2.gz WPQKVQXAGCWXSH-QWHCGFSZSA-N 0 0 278.421 3.284 10 70 CGIERN CN(Cc1ccncc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159521816 372151913 /nfs/dbraw/zinc/15/19/13/372151913.db2.gz XSOWWKFWDLDDFX-HOTGVXAUSA-N 0 0 272.392 3.256 10 70 CGIERN CCC[C@@H](NC(=O)CCC1CCC1)C(=O)OC(C)(C)C ZINC000161367564 520728674 /nfs/dbraw/zinc/72/86/74/520728674.db2.gz HFRCJEIUXWZQFF-CYBMUJFWSA-N 0 0 283.412 3.193 10 70 CGIERN Cc1c(OC(C)C)cc(-c2cnn(C)c2)c2cc[nH]c(=O)c12 ZINC000217960608 346291590 /nfs/dbraw/zinc/29/15/90/346291590.db2.gz DGBKOUOELJUXJQ-UHFFFAOYSA-N 0 0 297.358 3.024 10 70 CGIERN OCCCCCOc1cc(Br)ccc1F ZINC000160208928 188460347 /nfs/dbraw/zinc/46/03/47/188460347.db2.gz UBDCESQMXSXSBO-UHFFFAOYSA-N 0 0 277.133 3.130 10 70 CGIERN CC(C)(F)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160467162 188474933 /nfs/dbraw/zinc/47/49/33/188474933.db2.gz ULICRXZGNSBWKD-SNVBAGLBSA-N 0 0 277.261 3.024 10 70 CGIERN CCCC[C@H](CC)C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160384692 282940456 /nfs/dbraw/zinc/94/04/56/282940456.db2.gz HYINZLSOXHVTOG-ZMSDIMECSA-N 0 0 281.440 3.356 10 70 CGIERN O=C(C1CCC1)N1CC=C(c2ccccc2F)CC1 ZINC000159668559 372166838 /nfs/dbraw/zinc/16/68/38/372166838.db2.gz NUTULPRPOMILHP-UHFFFAOYSA-N 0 0 259.324 3.242 10 70 CGIERN CC[C@@H](O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000159992427 372201183 /nfs/dbraw/zinc/20/11/83/372201183.db2.gz HJWCYCWCYVRDJG-SNVBAGLBSA-N 0 0 266.291 3.086 10 70 CGIERN CCCCCC(=O)N[C@H](CCC)C(=O)OC(C)(C)C ZINC000161297001 372315986 /nfs/dbraw/zinc/31/59/86/372315986.db2.gz QMXIYKJAEQHIOI-GFCCVEGCSA-N 0 0 271.401 3.193 10 70 CGIERN CCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)OC(C)(C)C ZINC000161356293 372318084 /nfs/dbraw/zinc/31/80/84/372318084.db2.gz QCFLINSOFYQYBI-CQSZACIVSA-N 0 0 291.391 3.235 10 70 CGIERN Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1F ZINC000161116739 321862557 /nfs/dbraw/zinc/86/25/57/321862557.db2.gz MBSJSURLTZKOPW-UWVGGRQHSA-N 0 0 285.746 3.037 10 70 CGIERN Clc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1 ZINC000161434731 526946662 /nfs/dbraw/zinc/94/66/62/526946662.db2.gz BQSJMKYLPPKIFE-ZDUSSCGKSA-N 0 0 294.807 3.370 10 70 CGIERN C[C@@H](O)C[C@H]1CCCN1c1ccnc2c(F)cc(F)cc12 ZINC000160085376 188454256 /nfs/dbraw/zinc/45/42/56/188454256.db2.gz PMMGLDPXKAQKAC-ZYHUDNBSSA-N 0 0 292.329 3.253 10 70 CGIERN CCCOc1cccc(CC(=O)N[C@H](C)C(C)C)c1 ZINC000161071770 188506293 /nfs/dbraw/zinc/50/62/93/188506293.db2.gz RMBXMONSRQKPQI-CYBMUJFWSA-N 0 0 263.381 3.179 10 70 CGIERN CCc1ncnc(NCCCCC(F)(F)F)c1F ZINC000218078036 138492491 /nfs/dbraw/zinc/49/24/91/138492491.db2.gz AGSSKTCLBKJCDF-UHFFFAOYSA-N 0 0 265.254 3.323 10 70 CGIERN CSCCN(C)c1ccnc2c(F)cc(F)cc12 ZINC000159930416 372194506 /nfs/dbraw/zinc/19/45/06/372194506.db2.gz IHMAZDDUCIOEPI-UHFFFAOYSA-N 0 0 268.332 3.312 10 70 CGIERN COC[C@H](C)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159621463 392581005 /nfs/dbraw/zinc/58/10/05/392581005.db2.gz PPJUEHXCUFYLFS-NEPJUHHUSA-N 0 0 279.405 3.044 10 70 CGIERN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(N)=O ZINC000160786074 534043973 /nfs/dbraw/zinc/04/39/73/534043973.db2.gz ORYDUNPZADLGEY-ZETCQYMHSA-N 0 0 299.161 3.290 10 70 CGIERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160676182 188485958 /nfs/dbraw/zinc/48/59/58/188485958.db2.gz WCVVUZWNGLLGDH-GDBMZVCRSA-N 0 0 289.423 3.317 10 70 CGIERN CCN(CC(C)(C)O)c1ccnc2c(F)cc(F)cc12 ZINC000159481811 372147601 /nfs/dbraw/zinc/14/76/01/372147601.db2.gz PRFURELOIIOFGQ-UHFFFAOYSA-N 0 0 280.318 3.110 10 70 CGIERN CCc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)[nH]n1 ZINC000159563283 372155490 /nfs/dbraw/zinc/15/54/90/372155490.db2.gz PYIWRQPPOOXQDH-UHFFFAOYSA-N 0 0 299.349 3.041 10 70 CGIERN O=C(NCC1(C2CC2)CC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000159647450 372164202 /nfs/dbraw/zinc/16/42/02/372164202.db2.gz GHGODCCPPXKTJO-OLZOCXBDSA-N 0 0 291.341 3.375 10 70 CGIERN CCCC[C@@H](NC(=O)[C@H](C)CC)C(=O)OC(C)(C)C ZINC000161211340 372309666 /nfs/dbraw/zinc/30/96/66/372309666.db2.gz ZJFIAIJULOORBV-VXGBXAGGSA-N 0 0 271.401 3.049 10 70 CGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccon2)cc1 ZINC000159809622 321841371 /nfs/dbraw/zinc/84/13/71/321841371.db2.gz AQQZVRGAIKNMSM-LBPRGKRZSA-N 0 0 288.347 3.200 10 70 CGIERN Cc1[nH]ccc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159635322 525450844 /nfs/dbraw/zinc/45/08/44/525450844.db2.gz MLKNZTLDSVQFHC-UHFFFAOYSA-N 0 0 284.334 3.392 10 70 CGIERN Cc1ccc([C@@H](C)NC(=O)c2c(F)cc(F)cc2F)o1 ZINC000160456562 525713528 /nfs/dbraw/zinc/71/35/28/525713528.db2.gz PWDMLLNZKHZNRI-MRVPVSSYSA-N 0 0 283.249 3.496 10 70 CGIERN Clc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000161433399 526975956 /nfs/dbraw/zinc/97/59/56/526975956.db2.gz JSOOTJGGLGDOPL-CYBMUJFWSA-N 0 0 294.807 3.370 10 70 CGIERN CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000159690085 372170024 /nfs/dbraw/zinc/17/00/24/372170024.db2.gz DJCKRPFWLFMBHM-GXTWGEPZSA-N 0 0 255.402 3.227 10 70 CGIERN Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2C2CCCCC2)no1 ZINC000160193869 372224517 /nfs/dbraw/zinc/22/45/17/372224517.db2.gz NRNJJMQJWOBCQJ-LSDHHAIUSA-N 0 0 276.380 3.158 10 70 CGIERN C[C@@H]1C[C@@H]1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000160544680 321853467 /nfs/dbraw/zinc/85/34/67/321853467.db2.gz ZAWGQDOTXUEONP-LDWIPMOCSA-N 0 0 277.673 3.497 10 70 CGIERN O=C(c1cscn1)N1CC=C(c2ccccc2F)CC1 ZINC000159583588 372157500 /nfs/dbraw/zinc/15/75/00/372157500.db2.gz UXXRRMDXLQZGSU-UHFFFAOYSA-N 0 0 288.347 3.212 10 70 CGIERN C[C@@H](CNc1ccnc2c(F)cc(F)cc12)C[C@H](C)O ZINC000159597455 372159459 /nfs/dbraw/zinc/15/94/59/372159459.db2.gz DORFERLIDRPWAW-ZJUUUORDSA-N 0 0 280.318 3.332 10 70 CGIERN O=C([C@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000159718410 372172076 /nfs/dbraw/zinc/17/20/76/372172076.db2.gz ALCOVQKEMNHDNG-MRXNPFEDSA-N 0 0 289.350 3.011 10 70 CGIERN CCc1nnc(CN[C@H](C)c2ccc3ccccc3c2)[nH]1 ZINC000160267827 372231823 /nfs/dbraw/zinc/23/18/23/372231823.db2.gz MARPXIMJKGPAGL-GFCCVEGCSA-N 0 0 280.375 3.371 10 70 CGIERN CCc1nnc(CN[C@@H](C)c2ccc(F)c(Cl)c2)[nH]1 ZINC000160380152 372242905 /nfs/dbraw/zinc/24/29/05/372242905.db2.gz LITYCHHCJUIZGO-QMMMGPOBSA-N 0 0 282.750 3.010 10 70 CGIERN CC(C)[C@H](C)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000160360888 372240932 /nfs/dbraw/zinc/24/09/32/372240932.db2.gz HWVROBRBIDBDMV-JTQLQIEISA-N 0 0 289.297 3.288 10 70 CGIERN CC[C@H](NC(=O)C[C@H](O)C(C)C)C(C)(C)c1ccccc1 ZINC000160776483 372275314 /nfs/dbraw/zinc/27/53/14/372275314.db2.gz BQDQWBHMNAONAO-HOTGVXAUSA-N 0 0 291.435 3.266 10 70 CGIERN CC[C@@H](C)OCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000160891785 372284922 /nfs/dbraw/zinc/28/49/22/372284922.db2.gz YIGXVAAQTHWEBK-NXEZZACHSA-N 0 0 287.762 3.471 10 70 CGIERN CCCC[C@@H](NC(=O)C[C@H]1C=CCC1)C(=O)OC(C)(C)C ZINC000161155626 372306259 /nfs/dbraw/zinc/30/62/59/372306259.db2.gz IPEBWBLKHLZKIH-UONOGXRCSA-N 0 0 295.423 3.359 10 70 CGIERN CCC[C@H](NC(=O)C(C)(C)CC)C(=O)OC(C)(C)C ZINC000161369043 372319305 /nfs/dbraw/zinc/31/93/05/372319305.db2.gz KTJONBFSDOQRAG-NSHDSACASA-N 0 0 271.401 3.049 10 70 CGIERN CCS[C@H]1CC[C@@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000218049717 376183264 /nfs/dbraw/zinc/18/32/64/376183264.db2.gz NJIPZZRHBLTLRX-NEPJUHHUSA-N 0 0 294.420 3.263 10 70 CGIERN Cc1ccc([C@@](C)(O)CNc2nc(C(C)(C)C)ns2)o1 ZINC000159639247 525866830 /nfs/dbraw/zinc/86/68/30/525866830.db2.gz BRCUAFMVXZIFOD-AWEZNQCLSA-N 0 0 295.408 3.057 10 70 CGIERN Cc1cccc(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000161146660 346174308 /nfs/dbraw/zinc/17/43/08/346174308.db2.gz OZDUFGGEKDTRCS-HOTGVXAUSA-N 0 0 272.392 3.223 10 70 CGIERN CC(C)[C@@H](O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000159638056 372164813 /nfs/dbraw/zinc/16/48/13/372164813.db2.gz PAAWNEYVQFSXJZ-AWEZNQCLSA-N 0 0 280.318 3.332 10 70 CGIERN CCSCCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000160011973 372203263 /nfs/dbraw/zinc/20/32/63/372203263.db2.gz HKLQVXQAEKSVQW-LLVKDONJSA-N 0 0 269.414 3.083 10 70 CGIERN Cc1csc([C@H]2CN(CCC3CCCC3)CCO2)n1 ZINC000160039834 372206806 /nfs/dbraw/zinc/20/68/06/372206806.db2.gz YACZWSYTMVUVRB-CQSZACIVSA-N 0 0 280.437 3.405 10 70 CGIERN CCC[C@@H](C(=O)Nc1cccc(Cl)c1C)[NH+](C)C ZINC000161153729 372306296 /nfs/dbraw/zinc/30/62/96/372306296.db2.gz ROJDWMWWERYPNM-ZDUSSCGKSA-N 0 0 268.788 3.317 10 70 CGIERN CC[C@@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000159921120 165471551 /nfs/dbraw/zinc/47/15/51/165471551.db2.gz HTRFOYCHZZJJCZ-JTQLQIEISA-N 0 0 280.318 3.334 10 70 CGIERN Cc1ccc([C@@H](C)NC(=O)[C@H](O)c2ccccc2Cl)o1 ZINC000159449130 372144680 /nfs/dbraw/zinc/14/46/80/372144680.db2.gz AVGPLHPQIQVZTM-QMTHXVAHSA-N 0 0 293.750 3.152 10 70 CGIERN Nc1ccc2c(c1)CCC[C@H]2Nc1ncnc2c1CCC2 ZINC000159512121 372150603 /nfs/dbraw/zinc/15/06/03/372150603.db2.gz RGUBKMLKNUFOJF-MRXNPFEDSA-N 0 0 280.375 3.037 10 70 CGIERN COCCCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159581271 372157664 /nfs/dbraw/zinc/15/76/64/372157664.db2.gz AXTCHBZZRSDJEA-UHFFFAOYSA-N 0 0 291.366 3.258 10 70 CGIERN C[C@@H]1C[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159640117 372163914 /nfs/dbraw/zinc/16/39/14/372163914.db2.gz SJYIWMSVUGVFJG-BXUZGUMPSA-N 0 0 259.324 3.097 10 70 CGIERN CC(C)(C(=O)N1CCO[C@H]2CCCC[C@H]21)C1CCCC1 ZINC000160125456 372216482 /nfs/dbraw/zinc/21/64/82/372216482.db2.gz XPBMQTYSTMSSQR-CABCVRRESA-N 0 0 279.424 3.373 10 70 CGIERN CCn1ccnc1CSCc1ccc(C(=O)OC)s1 ZINC000159828154 372185310 /nfs/dbraw/zinc/18/53/10/372185310.db2.gz LYVFTGLKAALWOR-UHFFFAOYSA-N 0 0 296.417 3.185 10 70 CGIERN CCC[C@H](Nc1nc(CC)ns1)C(=O)OC(C)(C)C ZINC000159992223 372201586 /nfs/dbraw/zinc/20/15/86/372201586.db2.gz KCGUTIREMWYZAF-VIFPVBQESA-N 0 0 285.413 3.023 10 70 CGIERN CC(C)(F)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160467033 372249221 /nfs/dbraw/zinc/24/92/21/372249221.db2.gz ULICRXZGNSBWKD-JTQLQIEISA-N 0 0 277.261 3.024 10 70 CGIERN CCC[C@@H](NC(=O)C(C1CC1)C1CC1)C(=O)OC(C)(C)C ZINC000161277474 372314962 /nfs/dbraw/zinc/31/49/62/372314962.db2.gz XYXPJVUVSFFQBD-CYBMUJFWSA-N 0 0 295.423 3.049 10 70 CGIERN CSC[C@@](C)(O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159579304 525664673 /nfs/dbraw/zinc/66/46/73/525664673.db2.gz MTBDAKDSVLJGFK-AWEZNQCLSA-N 0 0 298.358 3.039 10 70 CGIERN CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000159690230 282176476 /nfs/dbraw/zinc/17/64/76/282176476.db2.gz DJCKRPFWLFMBHM-OCCSQVGLSA-N 0 0 255.402 3.227 10 70 CGIERN Cc1ccc(NC(=O)OCc2ccccc2)cc1O ZINC000218438378 346293386 /nfs/dbraw/zinc/29/33/86/346293386.db2.gz BFDJGIOLSBPVEI-UHFFFAOYSA-N 0 0 257.289 3.449 10 70 CGIERN C[C@H](O)[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160045308 136708173 /nfs/dbraw/zinc/70/81/73/136708173.db2.gz QHJGXSFSENETDF-WDEREUQCSA-N 0 0 292.329 3.110 10 70 CGIERN C[C@H](O)C[C@@H]1CCCN1c1ccnc2c(F)cc(F)cc12 ZINC000160085000 188454310 /nfs/dbraw/zinc/45/43/10/188454310.db2.gz PMMGLDPXKAQKAC-JQWIXIFHSA-N 0 0 292.329 3.253 10 70 CGIERN CC(C)(C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159656474 372166152 /nfs/dbraw/zinc/16/61/52/372166152.db2.gz FALOLBZBSRERNS-UHFFFAOYSA-N 0 0 261.340 3.488 10 70 CGIERN C[C@H]1C[C@@H]1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000160544813 372256200 /nfs/dbraw/zinc/25/62/00/372256200.db2.gz ZAWGQDOTXUEONP-WKEGUHRASA-N 0 0 277.673 3.497 10 70 CGIERN C[C@@H]1CC[C@H](NC(=O)NCCCF)c2ccccc21 ZINC000160735540 372271547 /nfs/dbraw/zinc/27/15/47/372271547.db2.gz KFZQFHSPWXDYAO-RISCZKNCSA-N 0 0 264.344 3.284 10 70 CGIERN C[C@H](CCC(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000160725353 372271849 /nfs/dbraw/zinc/27/18/49/372271849.db2.gz RNYLFNKBVNNXKU-PVAVHDDUSA-N 0 0 289.419 3.238 10 70 CGIERN CCS(=O)(=O)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000160797140 372275871 /nfs/dbraw/zinc/27/58/71/372275871.db2.gz BJWAZUPHJVPZQL-UHFFFAOYSA-N 0 0 294.203 3.096 10 70 CGIERN CC[C@H](Nc1nc(OC)cc(OC)n1)c1ccccc1 ZINC000159783747 529680814 /nfs/dbraw/zinc/68/08/14/529680814.db2.gz HKCZRSWYYMUKHO-LBPRGKRZSA-N 0 0 273.336 3.057 10 70 CGIERN CN(Cc1ccncc1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159521381 188430183 /nfs/dbraw/zinc/43/01/83/188430183.db2.gz XSOWWKFWDLDDFX-HZPDHXFCSA-N 0 0 272.392 3.256 10 70 CGIERN C[C@@H]1CC[C@H](NC(=O)CC2(O)CCCC2)c2ccccc21 ZINC000159461414 372145643 /nfs/dbraw/zinc/14/56/43/372145643.db2.gz MDILQQMGJKQXDC-CJNGLKHVSA-N 0 0 287.403 3.436 10 70 CGIERN O=C(Nc1cccc2c1C(=O)NC2)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159628254 372163178 /nfs/dbraw/zinc/16/31/78/372163178.db2.gz OHRPTQXJEICVQF-ZIAGYGMSSA-N 0 0 298.386 3.085 10 70 CGIERN C[C@]1(CO)CCC[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000159654567 372165307 /nfs/dbraw/zinc/16/53/07/372165307.db2.gz WQYFSPFWBRSOIN-GOEBONIOSA-N 0 0 292.329 3.476 10 70 CGIERN Cc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)no1 ZINC000159763482 372178056 /nfs/dbraw/zinc/17/80/56/372178056.db2.gz PCEHMVYCFZJYHK-UHFFFAOYSA-N 0 0 286.306 3.052 10 70 CGIERN CCc1ncnc(N[C@@H]2CCOc3ccccc32)c1F ZINC000217959437 392995796 /nfs/dbraw/zinc/99/57/96/392995796.db2.gz CEALXWYFMSRVDR-GFCCVEGCSA-N 0 0 273.311 3.114 10 70 CGIERN CCC1(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CCCC1 ZINC000160434210 521664534 /nfs/dbraw/zinc/66/45/34/521664534.db2.gz WDDZWCQTGYUVFJ-YOEHRIQHSA-N 0 0 279.424 3.110 10 70 CGIERN Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000161146324 346174287 /nfs/dbraw/zinc/17/42/87/346174287.db2.gz OZDUFGGEKDTRCS-HZPDHXFCSA-N 0 0 272.392 3.223 10 70 CGIERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCSCC1 ZINC000160774119 296072836 /nfs/dbraw/zinc/07/28/36/296072836.db2.gz RCWBKMIKVOUNDK-UONOGXRCSA-N 0 0 267.438 3.168 10 70 CGIERN Cc1csc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000159782329 372180253 /nfs/dbraw/zinc/18/02/53/372180253.db2.gz WPQKVQXAGCWXSH-OLZOCXBDSA-N 0 0 278.421 3.284 10 70 CGIERN Cc1csc([C@@H]2CN(CCC3CCCC3)CCO2)n1 ZINC000160039709 372206941 /nfs/dbraw/zinc/20/69/41/372206941.db2.gz YACZWSYTMVUVRB-AWEZNQCLSA-N 0 0 280.437 3.405 10 70 CGIERN COc1c(CN(C)Cc2ccccc2Cl)c(C)nn1C ZINC000160820622 372279921 /nfs/dbraw/zinc/27/99/21/372279921.db2.gz CDCDUDDWRQCYQE-UHFFFAOYSA-N 0 0 293.798 3.023 10 70 CGIERN CCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000161484642 372328969 /nfs/dbraw/zinc/32/89/69/372328969.db2.gz FXXUVDOBKWTSNV-CYBMUJFWSA-N 0 0 295.354 3.066 10 70 CGIERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)C(C)C)C12CCC2 ZINC000160676733 286238010 /nfs/dbraw/zinc/23/80/10/286238010.db2.gz QNYMAYOHUUZGEY-BFHYXJOUSA-N 0 0 282.428 3.020 10 70 CGIERN CCCC[C@@H](NC(=O)c1ccsc1)C(=O)OC(C)(C)C ZINC000161245331 321865362 /nfs/dbraw/zinc/86/53/62/321865362.db2.gz JJLWFYBDXNFFCR-GFCCVEGCSA-N 0 0 297.420 3.378 10 70 CGIERN CC[C@@H](C)[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159449625 522395049 /nfs/dbraw/zinc/39/50/49/522395049.db2.gz DZAUZFLDHWXGDI-YMTOWFKASA-N 0 0 280.318 3.332 10 70 CGIERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159722468 346168444 /nfs/dbraw/zinc/16/84/44/346168444.db2.gz MBDZPAQHHGGXEK-CJNGLKHVSA-N 0 0 287.407 3.453 10 70 CGIERN COCCCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159756994 188440261 /nfs/dbraw/zinc/44/02/61/188440261.db2.gz OQTPEMIRTSYVNY-CQSZACIVSA-N 0 0 293.407 3.325 10 70 CGIERN CCc1nnc(CN[C@@H]2c3ccccc3CCC2(C)C)[nH]1 ZINC000160477522 372250671 /nfs/dbraw/zinc/25/06/71/372250671.db2.gz IUEBMVSJCUWUEG-MRXNPFEDSA-N 0 0 284.407 3.170 10 70 CGIERN CCCC[C@@H](NC(=O)[C@@H](C)C1CC1)C(=O)OC(C)(C)C ZINC000161119864 372302135 /nfs/dbraw/zinc/30/21/35/372302135.db2.gz SOVPYBGCXIZQAC-WCQYABFASA-N 0 0 283.412 3.049 10 70 CGIERN c1sc(C2CC2)nc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000161457684 526629885 /nfs/dbraw/zinc/62/98/85/526629885.db2.gz BXEFDDNTLOGYKV-KBPBESRZSA-N 0 0 278.421 3.164 10 70 CGIERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1C ZINC000159785556 188441684 /nfs/dbraw/zinc/44/16/84/188441684.db2.gz GYUPKIKEWSJSGS-HIFRSBDPSA-N 0 0 284.407 3.335 10 70 CGIERN C[C@@H](C(=O)N1CC=C(c2ccccc2F)CC1)C1CC1 ZINC000159737983 372174197 /nfs/dbraw/zinc/17/41/97/372174197.db2.gz UQPHNPDNSLBGTG-GFCCVEGCSA-N 0 0 273.351 3.488 10 70 CGIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccon2)cc1 ZINC000159809514 372183074 /nfs/dbraw/zinc/18/30/74/372183074.db2.gz AQQZVRGAIKNMSM-GFCCVEGCSA-N 0 0 288.347 3.200 10 70 CGIERN COc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000160009523 372203720 /nfs/dbraw/zinc/20/37/20/372203720.db2.gz OGSVLMXSPODTRE-HONMWMINSA-N 0 0 265.328 3.060 10 70 CGIERN CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccccc2C)n1 ZINC000159699086 542150661 /nfs/dbraw/zinc/15/06/61/542150661.db2.gz DZYOXCVHYKXOMX-STQMWFEESA-N 0 0 289.379 3.326 10 70 CGIERN Cc1ccccc1[C@@H](C)N[C@H](C)c1nnc2n1CCCC2 ZINC000159711670 292640966 /nfs/dbraw/zinc/64/09/66/292640966.db2.gz HPLULNUIFCLDLA-ZIAGYGMSSA-N 0 0 284.407 3.335 10 70 CGIERN C[C@@]1(CNc2ccnc3c(F)cc(F)cc23)CCCO1 ZINC000159922242 278124086 /nfs/dbraw/zinc/12/40/86/278124086.db2.gz RKOYCOWPHINECJ-HNNXBMFYSA-N 0 0 278.302 3.494 10 70 CGIERN CC1(C)CCC(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000159416485 278194105 /nfs/dbraw/zinc/19/41/05/278194105.db2.gz BMVBVJQFZGTZOI-CRAIPNDOSA-N 0 0 293.451 3.356 10 70 CGIERN c1sc(C2CC2)nc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000161457800 526630275 /nfs/dbraw/zinc/63/02/75/526630275.db2.gz BXEFDDNTLOGYKV-UONOGXRCSA-N 0 0 278.421 3.164 10 70 CGIERN C[C@@H]1CC[C@H](NC(=O)C2(O)CCCC2)c2ccccc21 ZINC000159468066 372146029 /nfs/dbraw/zinc/14/60/29/372146029.db2.gz XBRUQFYYPBQCSU-DOMZBBRYSA-N 0 0 273.376 3.046 10 70 CGIERN CS[C@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159595224 372159477 /nfs/dbraw/zinc/15/94/77/372159477.db2.gz ZVHVASHEILSRNK-LLVKDONJSA-N 0 0 279.380 3.193 10 70 CGIERN COc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000160009788 372202719 /nfs/dbraw/zinc/20/27/19/372202719.db2.gz OGSVLMXSPODTRE-GDLCADMTSA-N 0 0 265.328 3.060 10 70 CGIERN CCCOc1cccc(CC(=O)N[C@@H](C)C(C)C)c1 ZINC000161071639 372300537 /nfs/dbraw/zinc/30/05/37/372300537.db2.gz RMBXMONSRQKPQI-ZDUSSCGKSA-N 0 0 263.381 3.179 10 70 CGIERN CC(C)[C@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000161115029 372302084 /nfs/dbraw/zinc/30/20/84/372302084.db2.gz RUWNFAOIRCWGPZ-UWVGGRQHSA-N 0 0 255.308 3.229 10 70 CGIERN C[C@H](NC(=O)[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000159932606 542152003 /nfs/dbraw/zinc/15/20/03/542152003.db2.gz VTXLHJGHRZEOPZ-GXFFZTMASA-N 0 0 267.756 3.086 10 70 CGIERN C[C@@H]1CC[C@@H](NC(=O)NCCCF)c2ccccc21 ZINC000160735750 321857039 /nfs/dbraw/zinc/85/70/39/321857039.db2.gz KFZQFHSPWXDYAO-BXUZGUMPSA-N 0 0 264.344 3.284 10 70 CGIERN COC(=O)c1cc(C)c2[nH]ccc2c1C(F)(F)F ZINC000217511733 346291221 /nfs/dbraw/zinc/29/12/21/346291221.db2.gz AZONZIBYJJZECN-UHFFFAOYSA-N 0 0 257.211 3.282 10 70 CGIERN CN(Cc1ccncc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159521652 372152023 /nfs/dbraw/zinc/15/20/23/372152023.db2.gz XSOWWKFWDLDDFX-JKSUJKDBSA-N 0 0 272.392 3.256 10 70 CGIERN CCc1nnc(CN[C@H](C)c2ccc(F)c(Cl)c2)[nH]1 ZINC000160380263 372242657 /nfs/dbraw/zinc/24/26/57/372242657.db2.gz LITYCHHCJUIZGO-MRVPVSSYSA-N 0 0 282.750 3.010 10 70 CGIERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000159897076 372192519 /nfs/dbraw/zinc/19/25/19/372192519.db2.gz AMMMXIXPBVQLCZ-IAQYHMDHSA-N 0 0 277.364 3.330 10 70 CGIERN CC(C)(C)c1nsc(N[C@H]2CCCCC[C@@H]2CO)n1 ZINC000159940817 372195822 /nfs/dbraw/zinc/19/58/22/372195822.db2.gz ZTDGSFKHPDFOQH-MNOVXSKESA-N 0 0 283.441 3.189 10 70 CGIERN CCSCCN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000160012103 372203185 /nfs/dbraw/zinc/20/31/85/372203185.db2.gz HKLQVXQAEKSVQW-NSHDSACASA-N 0 0 269.414 3.083 10 70 CGIERN CCCC[C@@H](NC(=O)c1cccs1)C(=O)OC(C)(C)C ZINC000161086310 372300520 /nfs/dbraw/zinc/30/05/20/372300520.db2.gz FQRCOBCCNZAVEG-LLVKDONJSA-N 0 0 297.420 3.378 10 70 CGIERN CC[C@@H](NC(=O)C[C@@H](O)C(C)C)C(C)(C)c1ccccc1 ZINC000160776871 372275324 /nfs/dbraw/zinc/27/53/24/372275324.db2.gz BQDQWBHMNAONAO-HZPDHXFCSA-N 0 0 291.435 3.266 10 70 CGIERN CCS[C@@H]1CC[C@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000218049784 376183315 /nfs/dbraw/zinc/18/33/15/376183315.db2.gz NJIPZZRHBLTLRX-NWDGAFQWSA-N 0 0 294.420 3.263 10 70 CGIERN O=C(NCCOC1CCCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161173793 346174270 /nfs/dbraw/zinc/17/42/70/346174270.db2.gz GDCHOJXLJVJDBK-JKSUJKDBSA-N 0 0 279.424 3.278 10 70 CGIERN CN(Cc1ccncc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159521512 372151751 /nfs/dbraw/zinc/15/17/51/372151751.db2.gz XSOWWKFWDLDDFX-CVEARBPZSA-N 0 0 272.392 3.256 10 70 CGIERN CO[C@@H](C)CCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159720496 372172484 /nfs/dbraw/zinc/17/24/84/372172484.db2.gz GHVBIOYASLEGPA-ZDUSSCGKSA-N 0 0 291.366 3.257 10 70 CGIERN COc1c(CN2CC=C(c3ccccc3)CC2)c(C)nn1C ZINC000159755853 372176129 /nfs/dbraw/zinc/17/61/29/372176129.db2.gz DHWPQYKOTTZETB-UHFFFAOYSA-N 0 0 297.402 3.026 10 70 CGIERN CC(C)c1cc(C(=O)Nc2cccc(-c3ncon3)c2)no1 ZINC000160118007 372215070 /nfs/dbraw/zinc/21/50/70/372215070.db2.gz WELRXHLNGCQBOR-UHFFFAOYSA-N 0 0 298.302 3.100 10 70 CGIERN CCOCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159884470 372190654 /nfs/dbraw/zinc/19/06/54/372190654.db2.gz IXGZYOFMOGLZOQ-AWEZNQCLSA-N 0 0 293.407 3.325 10 70 CGIERN CC(C)[C@@H](C)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000160360777 372241155 /nfs/dbraw/zinc/24/11/55/372241155.db2.gz HWVROBRBIDBDMV-SNVBAGLBSA-N 0 0 289.297 3.288 10 70 CGIERN C[C@H]1CN(Cc2ncc(-c3ccccc3F)o2)CCS1 ZINC000160582557 372259507 /nfs/dbraw/zinc/25/95/07/372259507.db2.gz JZSCEUKDLNUSLZ-NSHDSACASA-N 0 0 292.379 3.418 10 70 CGIERN CCS[C@@H]1CC[C@@H](Nc2ncnc(CC)c2F)C1 ZINC000218050323 376183391 /nfs/dbraw/zinc/18/33/91/376183391.db2.gz IORNMYZTYDVWNW-NXEZZACHSA-N 0 0 269.389 3.264 10 70 CGIERN CCC[C@H](NC(=O)C1(CC)CCC1)C(=O)OC(C)(C)C ZINC000161469549 321868572 /nfs/dbraw/zinc/86/85/72/321868572.db2.gz ZDICNHMDSXJKNC-LBPRGKRZSA-N 0 0 283.412 3.193 10 70 CGIERN CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000159690358 282177361 /nfs/dbraw/zinc/17/73/61/282177361.db2.gz DJCKRPFWLFMBHM-TZMCWYRMSA-N 0 0 255.402 3.227 10 70 CGIERN COc1cc(-c2nnc(-c3ccc(F)cc3)[nH]2)ccc1F ZINC000218359391 346292877 /nfs/dbraw/zinc/29/28/77/346292877.db2.gz IJNFPBFRRGYWGJ-UHFFFAOYSA-N 0 0 287.269 3.426 10 70 CGIERN CCOCCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159884600 188445860 /nfs/dbraw/zinc/44/58/60/188445860.db2.gz IXGZYOFMOGLZOQ-CQSZACIVSA-N 0 0 293.407 3.325 10 70 CGIERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)cc1N ZINC000161293037 188519775 /nfs/dbraw/zinc/51/97/75/188519775.db2.gz MZWRUEBKUKWJMT-HUUCEWRRSA-N 0 0 296.370 3.328 10 70 CGIERN COC[C@@H](C)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159621851 372162346 /nfs/dbraw/zinc/16/23/46/372162346.db2.gz PPJUEHXCUFYLFS-NWDGAFQWSA-N 0 0 279.405 3.044 10 70 CGIERN CC[C@H](C)OCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159696641 372170169 /nfs/dbraw/zinc/17/01/69/372170169.db2.gz KTKGJJZEELQCCT-ZDUSSCGKSA-N 0 0 291.366 3.257 10 70 CGIERN C[C@@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccs1 ZINC000160289497 372234075 /nfs/dbraw/zinc/23/40/75/372234075.db2.gz DKBNOSLXBVEJBZ-YPMHNXCESA-N 0 0 289.404 3.329 10 70 CGIERN C[C@H]1CC[C@@H](NC(=O)NCCCF)c2ccccc21 ZINC000160735886 372270569 /nfs/dbraw/zinc/27/05/69/372270569.db2.gz KFZQFHSPWXDYAO-SMDDNHRTSA-N 0 0 264.344 3.284 10 70 CGIERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160797509 372275000 /nfs/dbraw/zinc/27/50/00/372275000.db2.gz KVURANFJFAURGE-QWHCGFSZSA-N 0 0 261.369 3.181 10 70 CGIERN CCCC[C@@H](NC(=O)c1occc1C)C(=O)OC(C)(C)C ZINC000161228479 372310816 /nfs/dbraw/zinc/31/08/16/372310816.db2.gz NGSNLECUWJKJTE-GFCCVEGCSA-N 0 0 295.379 3.218 10 70 CGIERN CC(C)(C(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CCCC1 ZINC000160125604 165474175 /nfs/dbraw/zinc/47/41/75/165474175.db2.gz XPBMQTYSTMSSQR-HUUCEWRRSA-N 0 0 279.424 3.373 10 70 CGIERN CC1(C)C[C@H](NC(=O)c2ccc[nH]2)c2ccccc2O1 ZINC000159958048 278387019 /nfs/dbraw/zinc/38/70/19/278387019.db2.gz AEJPQTFSUABXIY-ZDUSSCGKSA-N 0 0 270.332 3.047 10 70 CGIERN CCc1nc(-c2ccccc2NC(=O)C(F)=C(C)C)n[nH]1 ZINC000161183325 522119651 /nfs/dbraw/zinc/11/96/51/522119651.db2.gz LFJSQFDTQLJJTC-UHFFFAOYSA-N 0 0 288.326 3.236 10 70 CGIERN C[C@H]1CC[C@H](NC(=O)C2(O)CCCC2)c2ccccc21 ZINC000159468199 290634320 /nfs/dbraw/zinc/63/43/20/290634320.db2.gz XBRUQFYYPBQCSU-WFASDCNBSA-N 0 0 273.376 3.046 10 70 CGIERN CC(C)Oc1c(Cl)cccc1S(=O)(=O)Cl ZINC000135274248 346087347 /nfs/dbraw/zinc/08/73/47/346087347.db2.gz OQNNHYYTUUAGDR-UHFFFAOYSA-N 0 0 269.149 3.055 10 70 CGIERN CCOCC1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159462150 372145876 /nfs/dbraw/zinc/14/58/76/372145876.db2.gz WBEUKCKRDUIPCD-UHFFFAOYSA-N 0 0 283.441 3.089 10 70 CGIERN C[C@H]1CC[C@@H](NC(=O)CC2(O)CCCC2)c2ccccc21 ZINC000159461842 372146174 /nfs/dbraw/zinc/14/61/74/372146174.db2.gz MDILQQMGJKQXDC-XJKSGUPXSA-N 0 0 287.403 3.436 10 70 CGIERN O[C@H]1CCC[C@@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000159618981 372161083 /nfs/dbraw/zinc/16/10/83/372161083.db2.gz ATOQQLMIWZXDJX-PWSUYJOCSA-N 0 0 292.329 3.476 10 70 CGIERN C[C@@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159639843 372165196 /nfs/dbraw/zinc/16/51/96/372165196.db2.gz SJYIWMSVUGVFJG-RISCZKNCSA-N 0 0 259.324 3.097 10 70 CGIERN C[C@H](O)[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160045594 372207021 /nfs/dbraw/zinc/20/70/21/372207021.db2.gz QHJGXSFSENETDF-QWRGUYRKSA-N 0 0 292.329 3.110 10 70 CGIERN C[C@H]1C[C@H]1NC(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000160545073 321853817 /nfs/dbraw/zinc/85/38/17/321853817.db2.gz ZAWGQDOTXUEONP-QUBYGPBYSA-N 0 0 277.673 3.497 10 70 CGIERN CCC[C@H](NC(=O)CCC1CCC1)C(=O)OC(C)(C)C ZINC000161367424 521123677 /nfs/dbraw/zinc/12/36/77/521123677.db2.gz HFRCJEIUXWZQFF-ZDUSSCGKSA-N 0 0 283.412 3.193 10 70 CGIERN CCC[C@H](NC(=O)c1sccc1C)C(=O)OC(C)(C)C ZINC000161355615 528206562 /nfs/dbraw/zinc/20/65/62/528206562.db2.gz LZNAFPJVXDCWBE-NSHDSACASA-N 0 0 297.420 3.297 10 70 CGIERN C[C@H](O)C[C@H]1CCCN1c1ccnc2c(F)cc(F)cc12 ZINC000160085245 188454576 /nfs/dbraw/zinc/45/45/76/188454576.db2.gz PMMGLDPXKAQKAC-CMPLNLGQSA-N 0 0 292.329 3.253 10 70 CGIERN CCSC[C@@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159789461 372181236 /nfs/dbraw/zinc/18/12/36/372181236.db2.gz BJJJBERNLHMFIC-SECBINFHSA-N 0 0 273.471 3.413 10 70 CGIERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159644267 372164917 /nfs/dbraw/zinc/16/49/17/372164917.db2.gz RYNIBUCBPOHVNB-KGLIPLIRSA-N 0 0 293.407 3.181 10 70 CGIERN C[C@]1(CO)CCC[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000159654844 372165024 /nfs/dbraw/zinc/16/50/24/372165024.db2.gz WQYFSPFWBRSOIN-GDBMZVCRSA-N 0 0 292.329 3.476 10 70 CGIERN CC[C@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159745588 372175861 /nfs/dbraw/zinc/17/58/61/372175861.db2.gz YAMCUUVGJMCKBZ-LBPRGKRZSA-N 0 0 261.340 3.488 10 70 CGIERN CC(C)CCO[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159884638 372191025 /nfs/dbraw/zinc/19/10/25/372191025.db2.gz OHGOJOPEODSVEI-LBPRGKRZSA-N 0 0 297.468 3.477 10 70 CGIERN CCC[C@H](Nc1ccnc(C2CC2)n1)C(=O)OC(C)(C)C ZINC000159987889 372201606 /nfs/dbraw/zinc/20/16/06/372201606.db2.gz HZXXAXHCGPDJDK-LBPRGKRZSA-N 0 0 291.395 3.276 10 70 CGIERN C[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccc(Br)cc1 ZINC000161279214 372314839 /nfs/dbraw/zinc/31/48/39/372314839.db2.gz KUEAJTBPBJNJTQ-HOTUBEGUSA-N 0 0 282.181 3.077 10 70 CGIERN Cc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000161438112 372325497 /nfs/dbraw/zinc/32/54/97/372325497.db2.gz BHEZLRJWXSZRAN-AWEZNQCLSA-N 0 0 274.389 3.025 10 70 CGIERN COC[C@@H](C)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159621713 292749328 /nfs/dbraw/zinc/74/93/28/292749328.db2.gz PPJUEHXCUFYLFS-VXGBXAGGSA-N 0 0 279.405 3.044 10 70 CGIERN Cc1ccc([C@](C)(O)CNc2nc(C(C)(C)C)ns2)o1 ZINC000159639091 526049252 /nfs/dbraw/zinc/04/92/52/526049252.db2.gz BRCUAFMVXZIFOD-CQSZACIVSA-N 0 0 295.408 3.057 10 70 CGIERN CC(C)C[C@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159391910 372139300 /nfs/dbraw/zinc/13/93/00/372139300.db2.gz LQJOLQJTPIBPMS-LLVKDONJSA-N 0 0 280.318 3.332 10 70 CGIERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159644048 372164735 /nfs/dbraw/zinc/16/47/35/372164735.db2.gz RYNIBUCBPOHVNB-KBPBESRZSA-N 0 0 293.407 3.181 10 70 CGIERN COCCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159757095 372175429 /nfs/dbraw/zinc/17/54/29/372175429.db2.gz OQTPEMIRTSYVNY-AWEZNQCLSA-N 0 0 293.407 3.325 10 70 CGIERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1OC(C)(C)C ZINC000160277461 372233551 /nfs/dbraw/zinc/23/35/51/372233551.db2.gz UAOASCDBJBEZFD-ZDUSSCGKSA-N 0 0 279.380 3.209 10 70 CGIERN CCCC[C@@H](NC(=O)[C@@H]1CC=CCC1)C(=O)OC(C)(C)C ZINC000161101227 372302155 /nfs/dbraw/zinc/30/21/55/372302155.db2.gz PEDMXLHFEYWBOH-ZIAGYGMSSA-N 0 0 295.423 3.359 10 70 CGIERN CSC[C@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159734669 165466396 /nfs/dbraw/zinc/46/63/96/165466396.db2.gz QEXSSABVOWQTFO-LBPRGKRZSA-N 0 0 293.407 3.441 10 70 CGIERN CCCOCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159879612 321842107 /nfs/dbraw/zinc/84/21/07/321842107.db2.gz YSBODFUWNXQARD-CQSZACIVSA-N 0 0 293.407 3.325 10 70 CGIERN CCC1(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CCCC1 ZINC000160434104 521665178 /nfs/dbraw/zinc/66/51/78/521665178.db2.gz WDDZWCQTGYUVFJ-WMLDXEAASA-N 0 0 279.424 3.110 10 70 CGIERN O[C@@H]1CCC[C@@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000159619253 527671331 /nfs/dbraw/zinc/67/13/31/527671331.db2.gz ATOQQLMIWZXDJX-ZYHUDNBSSA-N 0 0 292.329 3.476 10 70 CGIERN CC(C)[C@@H](C)NC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160675923 372268406 /nfs/dbraw/zinc/26/84/06/372268406.db2.gz WCVVUZWNGLLGDH-ZBFHGGJFSA-N 0 0 289.423 3.317 10 70 CGIERN C[C@H]1CC[C@H](NC(=O)NCCCF)c2ccccc21 ZINC000160735634 372271766 /nfs/dbraw/zinc/27/17/66/372271766.db2.gz KFZQFHSPWXDYAO-FZMZJTMJSA-N 0 0 264.344 3.284 10 70 CGIERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000159896947 321842744 /nfs/dbraw/zinc/84/27/44/321842744.db2.gz AMMMXIXPBVQLCZ-ABAIWWIYSA-N 0 0 277.364 3.330 10 70 CGIERN Cc1cnc(CCNc2nc(C(C)(C)C)ns2)s1 ZINC000159560351 526004423 /nfs/dbraw/zinc/00/44/23/526004423.db2.gz DJPXNBCOCMOZBF-UHFFFAOYSA-N 0 0 282.438 3.255 10 70 CGIERN CC(C)[C@H](O)CC(=O)Nc1ccccc1OC(C)(C)C ZINC000160277301 188464107 /nfs/dbraw/zinc/46/41/07/188464107.db2.gz UAOASCDBJBEZFD-CYBMUJFWSA-N 0 0 279.380 3.209 10 70 CGIERN CCc1ccc([C@@H](C)NC(=O)NO[C@@H]2CCCCO2)cc1 ZINC000161249371 188517043 /nfs/dbraw/zinc/51/70/43/188517043.db2.gz QCFOMIBSQZFOTN-IUODEOHRSA-N 0 0 292.379 3.067 10 70 CGIERN Cc1ccc([C@H](C)NC(=O)[C@H](O)c2ccccc2Cl)o1 ZINC000159449274 372144203 /nfs/dbraw/zinc/14/42/03/372144203.db2.gz AVGPLHPQIQVZTM-IINYFYTJSA-N 0 0 293.750 3.152 10 70 CGIERN CCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159486473 372148853 /nfs/dbraw/zinc/14/88/53/372148853.db2.gz KISKBYQWYYXEIC-KBPBESRZSA-N 0 0 293.407 3.324 10 70 CGIERN CS[C@H](CO)[C@@H](C)Nc1ccnc2c(F)cc(F)cc12 ZINC000159583769 372157228 /nfs/dbraw/zinc/15/72/28/372157228.db2.gz IKEHQTUBKJQRFO-AMIZOPFISA-N 0 0 298.358 3.037 10 70 CGIERN O=C(Nc1cccc2c1C(=O)NC2)[C@H]1C[C@H]1C1CCCCC1 ZINC000159628670 372162913 /nfs/dbraw/zinc/16/29/13/372162913.db2.gz OHRPTQXJEICVQF-KBPBESRZSA-N 0 0 298.386 3.085 10 70 CGIERN NC(=O)c1csc(CN2CC=C(c3ccccc3)CC2)c1 ZINC000159760613 372175712 /nfs/dbraw/zinc/17/57/12/372175712.db2.gz YSMDQUJSSOPHBL-UHFFFAOYSA-N 0 0 298.411 3.136 10 70 CGIERN C[C@@H](O)[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160045731 372207099 /nfs/dbraw/zinc/20/70/99/372207099.db2.gz QHJGXSFSENETDF-MNOVXSKESA-N 0 0 292.329 3.110 10 70 CGIERN CCc1ccc(CNc2ncnc(CC)c2F)cc1 ZINC000217995948 376181489 /nfs/dbraw/zinc/18/14/89/376181489.db2.gz WCUUXIPQLXECQH-UHFFFAOYSA-N 0 0 259.328 3.353 10 70 CGIERN CCO[C@H](C)c1noc(CN[C@@H](C)c2ccccc2C)n1 ZINC000159699238 542150636 /nfs/dbraw/zinc/15/06/36/542150636.db2.gz DZYOXCVHYKXOMX-QWHCGFSZSA-N 0 0 289.379 3.326 10 70 CGIERN CCC[C@H](NC(=O)c1ccccc1C)C(=O)OC(C)(C)C ZINC000161423226 321867173 /nfs/dbraw/zinc/86/71/73/321867173.db2.gz JRIXVJSUVZPKMU-AWEZNQCLSA-N 0 0 291.391 3.235 10 70 CGIERN CC(C)(C)OC(=O)NC[C@@H](c1ccccc1)c1ccnnc1 ZINC000217354892 346291227 /nfs/dbraw/zinc/29/12/27/346291227.db2.gz DBMSQZGNHNPNRT-HNNXBMFYSA-N 0 0 299.374 3.133 10 70 CGIERN CC[C@H](C)[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159450057 372144495 /nfs/dbraw/zinc/14/44/95/372144495.db2.gz DZAUZFLDHWXGDI-XPTSAGLGSA-N 0 0 280.318 3.332 10 70 CGIERN CCCCOCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159584813 372158025 /nfs/dbraw/zinc/15/80/25/372158025.db2.gz VACAALGDGKMRLE-UHFFFAOYSA-N 0 0 291.366 3.258 10 70 CGIERN CC1(C)C[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159636317 372163296 /nfs/dbraw/zinc/16/32/96/372163296.db2.gz XNWUQURXUDWSFR-CQSZACIVSA-N 0 0 273.351 3.488 10 70 CGIERN CC(=O)c1cc(F)ccc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160484432 372252508 /nfs/dbraw/zinc/25/25/08/372252508.db2.gz YYNVPSMRGREYQK-CXAGYDPISA-N 0 0 291.366 3.160 10 70 CGIERN CC(C)[C@H](C)NC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160676298 372267849 /nfs/dbraw/zinc/26/78/49/372267849.db2.gz WCVVUZWNGLLGDH-GOEBONIOSA-N 0 0 289.423 3.317 10 70 CGIERN C[C@H]1CN(C(=O)Nc2c(F)cccc2Cl)C[C@H](C)O1 ZINC000217313054 279801386 /nfs/dbraw/zinc/80/13/86/279801386.db2.gz CZVMBKRPGGMFTM-IUCAKERBSA-N 0 0 286.734 3.120 10 70 CGIERN Cc1n[nH]c(C)c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000160797628 188491931 /nfs/dbraw/zinc/49/19/31/188491931.db2.gz KVURANFJFAURGE-STQMWFEESA-N 0 0 261.369 3.181 10 70 CGIERN OCCc1ccc(Oc2cc(Cl)nc(C3CC3)n2)cc1 ZINC000218079198 138492422 /nfs/dbraw/zinc/49/24/22/138492422.db2.gz LMJUXPCRCLUJPT-UHFFFAOYSA-N 0 0 290.750 3.335 10 70 CGIERN CCc1nn(C)c(Cl)c1C(=O)NC1CCC(CC)CC1 ZINC000159447527 372144601 /nfs/dbraw/zinc/14/46/01/372144601.db2.gz IJIXWJKWBDWUSX-UHFFFAOYSA-N 0 0 297.830 3.335 10 70 CGIERN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000160392606 372244749 /nfs/dbraw/zinc/24/47/49/372244749.db2.gz CTCXQQHYZZPXET-SECBINFHSA-N 0 0 295.770 3.028 10 70 CGIERN CCC[C@@H](NC(=O)c1oc(C)cc1C)C(=O)OC(C)(C)C ZINC000161429462 372322877 /nfs/dbraw/zinc/32/28/77/372322877.db2.gz XIIFTHYKHDQJBB-GFCCVEGCSA-N 0 0 295.379 3.137 10 70 CGIERN C[C@@H]1[C@H](C)OCCN1c1ccnc2c(F)cc(F)cc12 ZINC000159996740 279107235 /nfs/dbraw/zinc/10/72/35/279107235.db2.gz BLVMFPQMXXJTIK-ZJUUUORDSA-N 0 0 278.302 3.127 10 70 CGIERN C[C@H]1CC[C@H](NC(=O)CC2(O)CCCC2)c2ccccc21 ZINC000159461547 321835573 /nfs/dbraw/zinc/83/55/73/321835573.db2.gz MDILQQMGJKQXDC-BBRMVZONSA-N 0 0 287.403 3.436 10 70 CGIERN CC(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)c2ccccc2N1 ZINC000159830776 321841374 /nfs/dbraw/zinc/84/13/74/321841374.db2.gz IKBGYVJHNFSTHF-XNRPHZJLSA-N 0 0 288.391 3.037 10 70 CGIERN CCCC[C@@H](Nc1nccc(C)n1)C(=O)OC(C)(C)C ZINC000159974601 321844283 /nfs/dbraw/zinc/84/42/83/321844283.db2.gz GBQWFHJCBQMFGD-GFCCVEGCSA-N 0 0 279.384 3.097 10 70 CGIERN Cc1nc(NC(=O)c2ccc3cc[nH]c3c2)cc(C2CC2)n1 ZINC000160234312 534485384 /nfs/dbraw/zinc/48/53/84/534485384.db2.gz MPROMZKTGFFESP-UHFFFAOYSA-N 0 0 292.342 3.396 10 70 CGIERN Clc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000161433250 526975623 /nfs/dbraw/zinc/97/56/23/526975623.db2.gz JSOOTJGGLGDOPL-ZDUSSCGKSA-N 0 0 294.807 3.370 10 70 CGIERN Cc1ccc([C@@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)o1 ZINC000159414547 372141354 /nfs/dbraw/zinc/14/13/54/372141354.db2.gz DGUZOSJVUYZPNX-SNVBAGLBSA-N 0 0 275.352 3.234 10 70 CGIERN CCc1nnc(CN[C@@H](C)c2ccc(CC(C)C)cc2)[nH]1 ZINC000160263761 372232538 /nfs/dbraw/zinc/23/25/38/372232538.db2.gz CYAYSJSKHDAJLF-ZDUSSCGKSA-N 0 0 286.423 3.416 10 70 CGIERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000159896827 372192131 /nfs/dbraw/zinc/19/21/31/372192131.db2.gz AMMMXIXPBVQLCZ-XHDPSFHLSA-N 0 0 277.364 3.330 10 70 CGIERN Cc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1F ZINC000161411423 278912280 /nfs/dbraw/zinc/91/22/80/278912280.db2.gz CEVHIVIPGQYCCP-CQSZACIVSA-N 0 0 285.318 3.388 10 70 CGIERN O=C(NCCOC1CCCC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161173550 346174673 /nfs/dbraw/zinc/17/46/73/346174673.db2.gz GDCHOJXLJVJDBK-HOTGVXAUSA-N 0 0 279.424 3.278 10 70 CGIERN CC[C@H](C)OCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000160891916 188496406 /nfs/dbraw/zinc/49/64/06/188496406.db2.gz YIGXVAAQTHWEBK-VHSXEESVSA-N 0 0 287.762 3.471 10 70 CGIERN CC(C)COc1ccc([C@@H](C)NC(=O)C2CC2)cc1 ZINC000159664335 372166813 /nfs/dbraw/zinc/16/68/13/372166813.db2.gz MDKAEWVVOJRZIG-GFCCVEGCSA-N 0 0 261.365 3.309 10 70 CGIERN CC(C)[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159679297 372168447 /nfs/dbraw/zinc/16/84/47/372168447.db2.gz ILDBICUBAXGBOW-CYBMUJFWSA-N 0 0 280.318 3.332 10 70 CGIERN CC(C)(C)c1nsc(NCc2ccc(F)c(CO)c2)n1 ZINC000160086255 372210417 /nfs/dbraw/zinc/21/04/17/372210417.db2.gz GXLNWGJRCITKRT-UHFFFAOYSA-N 0 0 295.383 3.079 10 70 CGIERN O[C@]12CCCC[C@@H]1CN(c1nccc3sccc31)CC2 ZINC000160689250 542155042 /nfs/dbraw/zinc/15/50/42/542155042.db2.gz RJSYENHFMPWTAU-WBMJQRKESA-N 0 0 288.416 3.428 10 70 CGIERN CCc1nnc(CN[C@H]2c3ccccc3CCC2(C)C)[nH]1 ZINC000160477654 392582232 /nfs/dbraw/zinc/58/22/32/392582232.db2.gz IUEBMVSJCUWUEG-INIZCTEOSA-N 0 0 284.407 3.170 10 70 CGIERN OC[C@@H](Nc1ccnc2c(F)cc(F)cc12)c1ccco1 ZINC000159763843 165468951 /nfs/dbraw/zinc/46/89/51/165468951.db2.gz GNXMPPXIKVXFEO-CYBMUJFWSA-N 0 0 290.269 3.252 10 70 CGIERN Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159759413 321840020 /nfs/dbraw/zinc/84/00/20/321840020.db2.gz XYZOMJZTJNVQCY-MEDUHNTESA-N 0 0 296.370 3.052 10 70 CGIERN CN(C[C@@H]1CCCOC1)c1ccnc2c(F)cc(F)cc12 ZINC000159388683 282524861 /nfs/dbraw/zinc/52/48/61/282524861.db2.gz JGEWLHBKOPWRKW-NSHDSACASA-N 0 0 292.329 3.376 10 70 CGIERN CC(C)(C)[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159450665 372144552 /nfs/dbraw/zinc/14/45/52/372144552.db2.gz HZNJZZPHPCJVBN-ZDUSSCGKSA-N 0 0 280.318 3.332 10 70 CGIERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159644176 372164800 /nfs/dbraw/zinc/16/48/00/372164800.db2.gz RYNIBUCBPOHVNB-ZIAGYGMSSA-N 0 0 293.407 3.181 10 70 CGIERN CSC[C@@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159734809 372174396 /nfs/dbraw/zinc/17/43/96/372174396.db2.gz QEXSSABVOWQTFO-GFCCVEGCSA-N 0 0 293.407 3.441 10 70 CGIERN c1csc([C@H]2CN(CCC3CCCC3)CCO2)n1 ZINC000160111989 372214693 /nfs/dbraw/zinc/21/46/93/372214693.db2.gz MCFNKRRVJKHPKJ-CYBMUJFWSA-N 0 0 266.410 3.097 10 70 CGIERN CCc1nn(C)c(Cl)c1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000160392465 372244224 /nfs/dbraw/zinc/24/42/24/372244224.db2.gz CTCXQQHYZZPXET-VIFPVBQESA-N 0 0 295.770 3.028 10 70 CGIERN Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160797242 372275630 /nfs/dbraw/zinc/27/56/30/372275630.db2.gz KVURANFJFAURGE-CHWSQXEVSA-N 0 0 261.369 3.181 10 70 CGIERN CCC(CC)CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000160604729 521527845 /nfs/dbraw/zinc/52/78/45/521527845.db2.gz KEMURPYKDZWTRI-CYBMUJFWSA-N 0 0 295.452 3.468 10 70 CGIERN O=S(=O)(Cl)c1ccc(C2CC2)cc1Cl ZINC000141309274 346108252 /nfs/dbraw/zinc/10/82/52/346108252.db2.gz UJMRUPFOEYNUJI-UHFFFAOYSA-N 0 0 251.134 3.145 10 70 CGIERN O=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1Cl ZINC000145299166 346120044 /nfs/dbraw/zinc/12/00/44/346120044.db2.gz JGKVFWNIQYMJCN-UHFFFAOYSA-N 0 0 295.065 3.166 10 70 CGIERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccncc1 ZINC000159523786 372152115 /nfs/dbraw/zinc/15/21/15/372152115.db2.gz UMAONNXLYDZCBH-YUTCNCBUSA-N 0 0 286.400 3.432 10 70 CGIERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000159896707 372192834 /nfs/dbraw/zinc/19/28/34/372192834.db2.gz AMMMXIXPBVQLCZ-NHYWBVRUSA-N 0 0 277.364 3.330 10 70 CGIERN CCCCOC(=O)[C@H](C)N1CCCC[C@@H]1c1nccs1 ZINC000160009135 372202771 /nfs/dbraw/zinc/20/27/71/372202771.db2.gz GALFNASFLCVJSP-QWHCGFSZSA-N 0 0 296.436 3.402 10 70 CGIERN COc1cc(OC)nc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000159794459 533087877 /nfs/dbraw/zinc/08/78/77/533087877.db2.gz YNJCXBOKGKFLSF-JTQLQIEISA-N 0 0 291.326 3.114 10 70 CGIERN CC1(C)CCC(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000159416744 392581015 /nfs/dbraw/zinc/58/10/15/392581015.db2.gz BMVBVJQFZGTZOI-MAUKXSAKSA-N 0 0 293.451 3.356 10 70 CGIERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)C(C)C)C12CCC2 ZINC000160676446 286320722 /nfs/dbraw/zinc/32/07/22/286320722.db2.gz QNYMAYOHUUZGEY-MELADBBJSA-N 0 0 282.428 3.020 10 70 CGIERN CCCC[C@H](CC)C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160384951 521158454 /nfs/dbraw/zinc/15/84/54/521158454.db2.gz HYINZLSOXHVTOG-UXLLHSPISA-N 0 0 281.440 3.356 10 70 CGIERN CCO[C@@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159486691 372149362 /nfs/dbraw/zinc/14/93/62/372149362.db2.gz KISKBYQWYYXEIC-KGLIPLIRSA-N 0 0 293.407 3.324 10 70 CGIERN CCCC(O)(CCC)CNC(=O)N[C@H](C)C(C)(C)C ZINC000159797651 372181190 /nfs/dbraw/zinc/18/11/90/372181190.db2.gz RDVAQVNISJXFAB-GFCCVEGCSA-N 0 0 272.433 3.052 10 70 CGIERN Cc1nc(NC(=O)C[C@@H](C)C(C)C)cc(C2CC2)n1 ZINC000160137477 372217086 /nfs/dbraw/zinc/21/70/86/372217086.db2.gz QZBLJMHOUZSWDM-SNVBAGLBSA-N 0 0 261.369 3.283 10 70 CGIERN O=S(=O)(Cl)c1ccc(Cl)c(CCl)c1 ZINC000166791008 542175037 /nfs/dbraw/zinc/17/50/37/542175037.db2.gz GYKPETYKMUIQNN-UHFFFAOYSA-N 0 0 259.541 3.006 10 70 CGIERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(N)cc1 ZINC000217823506 280405717 /nfs/dbraw/zinc/40/57/17/280405717.db2.gz SALRHWMMQRJBFH-WQVCFCJDSA-N 0 0 274.408 3.459 10 70 CGIERN CCC[C@H](NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC000161296694 321866180 /nfs/dbraw/zinc/86/61/80/321866180.db2.gz BTOJUCXIDVALQM-ZDUSSCGKSA-N 0 0 283.412 3.193 10 70 CGIERN CCC(CC)CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000160604598 521527863 /nfs/dbraw/zinc/52/78/63/521527863.db2.gz KEMURPYKDZWTRI-ZDUSSCGKSA-N 0 0 295.452 3.468 10 70 CGIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2cnccn2)cc1 ZINC000159518267 372151896 /nfs/dbraw/zinc/15/18/96/372151896.db2.gz VIKUUZJZKNPYDS-CYBMUJFWSA-N 0 0 299.374 3.002 10 70 CGIERN O=C(c1ccccn1)N1CC=C(c2ccccc2F)CC1 ZINC000159668398 372165725 /nfs/dbraw/zinc/16/57/25/372165725.db2.gz YYBFFXAIQBPIGI-UHFFFAOYSA-N 0 0 282.318 3.150 10 70 CGIERN CN(CC1(O)CCCC1)c1ccnc2c(F)cc(F)cc12 ZINC000160084306 372210933 /nfs/dbraw/zinc/21/09/33/372210933.db2.gz OZMZYVCLJSNDBU-UHFFFAOYSA-N 0 0 292.329 3.254 10 70 CGIERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(C)C ZINC000160362475 372240869 /nfs/dbraw/zinc/24/08/69/372240869.db2.gz UTXWSOMGQDKNFW-QJPTWQEYSA-N 0 0 251.395 3.321 10 70 CGIERN CCCCC(=O)N[C@H](CCCC)C(=O)OC(C)(C)C ZINC000161102390 372302238 /nfs/dbraw/zinc/30/22/38/372302238.db2.gz RQXPCTDSKRFUHZ-GFCCVEGCSA-N 0 0 271.401 3.193 10 70 CGIERN CC[C@@H](NC(=O)C[C@H](O)C(C)C)C(C)(C)c1ccccc1 ZINC000160776614 321857562 /nfs/dbraw/zinc/85/75/62/321857562.db2.gz BQDQWBHMNAONAO-JKSUJKDBSA-N 0 0 291.435 3.266 10 70 CGIERN CC(C)c1nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cs1 ZINC000160809438 519863335 /nfs/dbraw/zinc/86/33/35/519863335.db2.gz SACZXAPCDLJCSD-CZUORRHYSA-N 0 0 294.464 3.394 10 70 CGIERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccncc1 ZINC000159524048 525882371 /nfs/dbraw/zinc/88/23/71/525882371.db2.gz UMAONNXLYDZCBH-IACUBPJLSA-N 0 0 286.400 3.432 10 70 CGIERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1C ZINC000159785700 372180003 /nfs/dbraw/zinc/18/00/03/372180003.db2.gz GYUPKIKEWSJSGS-UKRRQHHQSA-N 0 0 284.407 3.335 10 70 CGIERN CC(C)(C(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CCCC1 ZINC000160125194 372216196 /nfs/dbraw/zinc/21/61/96/372216196.db2.gz XPBMQTYSTMSSQR-GJZGRUSLSA-N 0 0 279.424 3.373 10 70 CGIERN CCc1ccc([C@H](C)NC(=O)NOCc2cccnc2)cc1 ZINC000161005093 372294604 /nfs/dbraw/zinc/29/46/04/372294604.db2.gz ILVCGOOGXBYCQC-ZDUSSCGKSA-N 0 0 299.374 3.136 10 70 CGIERN CCc1ccc([C@H](C)NC(=O)NO[C@H]2CCCCO2)cc1 ZINC000161249638 372313166 /nfs/dbraw/zinc/31/31/66/372313166.db2.gz QCFOMIBSQZFOTN-WFASDCNBSA-N 0 0 292.379 3.067 10 70 CGIERN CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000160163818 321847131 /nfs/dbraw/zinc/84/71/31/321847131.db2.gz KGOVJNSVUHTCRZ-QWRGUYRKSA-N 0 0 284.400 3.246 10 70 CGIERN CCC[C@](C)(O)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159760670 321840595 /nfs/dbraw/zinc/84/05/95/321840595.db2.gz DZJVKRJUABXACH-MJEQTWJJSA-N 0 0 275.392 3.292 10 70 CGIERN CCC1(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CCCC1 ZINC000160433864 521664685 /nfs/dbraw/zinc/66/46/85/521664685.db2.gz WDDZWCQTGYUVFJ-RHSMWYFYSA-N 0 0 279.424 3.110 10 70 CGIERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCSCC1 ZINC000160773997 526561616 /nfs/dbraw/zinc/56/16/16/526561616.db2.gz RCWBKMIKVOUNDK-KGLIPLIRSA-N 0 0 267.438 3.168 10 70 CGIERN COC[C@H](C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159457599 372146005 /nfs/dbraw/zinc/14/60/05/372146005.db2.gz ANEZFFXWOBNFBO-XUJVJEKNSA-N 0 0 261.365 3.024 10 70 CGIERN C[C@@H](O)C[C@H](C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159597073 372159193 /nfs/dbraw/zinc/15/91/93/372159193.db2.gz DORFERLIDRPWAW-VHSXEESVSA-N 0 0 280.318 3.332 10 70 CGIERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159643926 372164092 /nfs/dbraw/zinc/16/40/92/372164092.db2.gz RYNIBUCBPOHVNB-UONOGXRCSA-N 0 0 293.407 3.181 10 70 CGIERN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000159647597 372164218 /nfs/dbraw/zinc/16/42/18/372164218.db2.gz GHGODCCPPXKTJO-QWHCGFSZSA-N 0 0 291.341 3.375 10 70 CGIERN COc1cccc(C[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000160217761 372226455 /nfs/dbraw/zinc/22/64/55/372226455.db2.gz KPKDTVSRUUUELZ-CYBMUJFWSA-N 0 0 256.349 3.249 10 70 CGIERN CC[C@H](O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000159992334 372201466 /nfs/dbraw/zinc/20/14/66/372201466.db2.gz HJWCYCWCYVRDJG-JTQLQIEISA-N 0 0 266.291 3.086 10 70 CGIERN CCCCOC(=O)[C@@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000160002910 372203499 /nfs/dbraw/zinc/20/34/99/372203499.db2.gz SXXCAHDTKDBMJE-OLZOCXBDSA-N 0 0 296.436 3.054 10 70 CGIERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCCCF ZINC000160734545 372271100 /nfs/dbraw/zinc/27/11/00/372271100.db2.gz DCBQELWZHYBLDS-AWEZNQCLSA-N 0 0 278.371 3.359 10 70 CGIERN CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000160891642 372285571 /nfs/dbraw/zinc/28/55/71/372285571.db2.gz YIGXVAAQTHWEBK-UWVGGRQHSA-N 0 0 287.762 3.471 10 70 CGIERN CCC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000161150519 372305585 /nfs/dbraw/zinc/30/55/85/372305585.db2.gz WADGSGWXUMQJSC-GFCCVEGCSA-N 0 0 288.313 3.374 10 70 CGIERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCSCC1 ZINC000160774246 526499666 /nfs/dbraw/zinc/49/96/66/526499666.db2.gz RCWBKMIKVOUNDK-ZIAGYGMSSA-N 0 0 267.438 3.168 10 70 CGIERN C[C@H](NC(=O)NO[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000161236591 188516665 /nfs/dbraw/zinc/51/66/65/188516665.db2.gz ICICPADJJWELMT-GXFFZTMASA-N 0 0 298.770 3.158 10 70 CGIERN Cc1cc(C(=O)N2CC=C(c3ccccc3F)CC2)on1 ZINC000159700799 372170221 /nfs/dbraw/zinc/17/02/21/372170221.db2.gz MFIWOTIHDSVJTQ-UHFFFAOYSA-N 0 0 286.306 3.052 10 70 CGIERN O=C(c1cccnc1)N1CC=C(c2ccccc2F)CC1 ZINC000159727900 372173352 /nfs/dbraw/zinc/17/33/52/372173352.db2.gz NNLVZKYDEPQLPE-UHFFFAOYSA-N 0 0 282.318 3.150 10 70 CGIERN Cc1csc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000159782184 372179750 /nfs/dbraw/zinc/17/97/50/372179750.db2.gz WPQKVQXAGCWXSH-CHWSQXEVSA-N 0 0 278.421 3.284 10 70 CGIERN OCCCCN(c1ccnc2c(F)cc(F)cc12)C1CC1 ZINC000159821702 372182976 /nfs/dbraw/zinc/18/29/76/372182976.db2.gz INKMXVINBIRFHG-UHFFFAOYSA-N 0 0 292.329 3.254 10 70 CGIERN CSCCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000159824558 372184751 /nfs/dbraw/zinc/18/47/51/372184751.db2.gz MUCKZWOXNFQZFF-LLVKDONJSA-N 0 0 255.383 3.299 10 70 CGIERN CC(=O)c1cc(F)ccc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160484546 372251596 /nfs/dbraw/zinc/25/15/96/372251596.db2.gz YYNVPSMRGREYQK-DYVFJYSZSA-N 0 0 291.366 3.160 10 70 CGIERN CCCC[C@@H](NC(=O)C[C@@H]1C=CCC1)C(=O)OC(C)(C)C ZINC000161155866 372305610 /nfs/dbraw/zinc/30/56/10/372305610.db2.gz IPEBWBLKHLZKIH-ZIAGYGMSSA-N 0 0 295.423 3.359 10 70 CGIERN COC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159457867 277257140 /nfs/dbraw/zinc/25/71/40/277257140.db2.gz ANEZFFXWOBNFBO-TYNCELHUSA-N 0 0 261.365 3.024 10 70 CGIERN CCC[C@@H](NC(=O)c1ccccc1C)C(=O)OC(C)(C)C ZINC000161423372 321867408 /nfs/dbraw/zinc/86/74/08/321867408.db2.gz JRIXVJSUVZPKMU-CQSZACIVSA-N 0 0 291.391 3.235 10 70 CGIERN CSC[C@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159558445 372156292 /nfs/dbraw/zinc/15/62/92/372156292.db2.gz XEGJVXGANYKRLR-QMMMGPOBSA-N 0 0 259.444 3.023 10 70 CGIERN CO[C@H](C)CCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159720585 372171820 /nfs/dbraw/zinc/17/18/20/372171820.db2.gz GHVBIOYASLEGPA-CYBMUJFWSA-N 0 0 291.366 3.257 10 70 CGIERN CC(C)[C@@H](C)NC(=O)[C@@H](C)c1c(F)cccc1F ZINC000161114952 372302181 /nfs/dbraw/zinc/30/21/81/372302181.db2.gz RUWNFAOIRCWGPZ-VHSXEESVSA-N 0 0 255.308 3.229 10 70 CGIERN COc1nc(C)nc(N[C@H]2CCO[C@@H]2c2ccccc2)c1C ZINC000159415927 277482800 /nfs/dbraw/zinc/48/28/00/277482800.db2.gz LLLYYOAVXYAKTG-LSDHHAIUSA-N 0 0 299.374 3.044 10 70 CGIERN CC(C)[C@H](C)NC(=O)c1cc(F)c(Cl)cc1F ZINC000161114289 321862543 /nfs/dbraw/zinc/86/25/43/321862543.db2.gz VTCXTSUSEQVEHM-ZETCQYMHSA-N 0 0 261.699 3.393 10 70 CGIERN O=S(=O)(Cl)c1ccc2ccccc2c1Cl ZINC000135272664 346087121 /nfs/dbraw/zinc/08/71/21/346087121.db2.gz MFKAFUMBQBYMMI-UHFFFAOYSA-N 0 0 261.129 3.421 10 70 CGIERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1C ZINC000159785309 372179974 /nfs/dbraw/zinc/17/99/74/372179974.db2.gz GYUPKIKEWSJSGS-ZFWWWQNUSA-N 0 0 284.407 3.335 10 70 CGIERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ncnc2c1CCC2 ZINC000159511974 372150857 /nfs/dbraw/zinc/15/08/57/372150857.db2.gz RGUBKMLKNUFOJF-INIZCTEOSA-N 0 0 280.375 3.037 10 70 CGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cnccn2)cc1 ZINC000159518396 372152463 /nfs/dbraw/zinc/15/24/63/372152463.db2.gz VIKUUZJZKNPYDS-ZDUSSCGKSA-N 0 0 299.374 3.002 10 70 CGIERN CCCOC(=O)[C@@H](C)N1CCCC[C@@H]1c1nccs1 ZINC000160009285 372202733 /nfs/dbraw/zinc/20/27/33/372202733.db2.gz KAPQYTSGDRPIAD-VXGBXAGGSA-N 0 0 282.409 3.012 10 70 CGIERN CCC[C@H](NC(=O)C(C1CC1)C1CC1)C(=O)OC(C)(C)C ZINC000161277365 372314501 /nfs/dbraw/zinc/31/45/01/372314501.db2.gz XYXPJVUVSFFQBD-ZDUSSCGKSA-N 0 0 295.423 3.049 10 70 CGIERN CCC[C@@H](NC(=O)c1cc(C)oc1C)C(=O)OC(C)(C)C ZINC000161319762 372316733 /nfs/dbraw/zinc/31/67/33/372316733.db2.gz DUHOYCFUJDDVOS-CYBMUJFWSA-N 0 0 295.379 3.137 10 70 CGIERN CCCCCC(=O)N[C@@H](CCC)C(=O)OC(C)(C)C ZINC000161296924 321866100 /nfs/dbraw/zinc/86/61/00/321866100.db2.gz QMXIYKJAEQHIOI-LBPRGKRZSA-N 0 0 271.401 3.193 10 70 CGIERN COC[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159461818 372146320 /nfs/dbraw/zinc/14/63/20/372146320.db2.gz CGQXGVLBZVINOR-LLVKDONJSA-N 0 0 292.329 3.376 10 70 CGIERN O=C(Nc1cccc2c1C(=O)NC2)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159628398 372162441 /nfs/dbraw/zinc/16/24/41/372162441.db2.gz OHRPTQXJEICVQF-KGLIPLIRSA-N 0 0 298.386 3.085 10 70 CGIERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159759547 372175127 /nfs/dbraw/zinc/17/51/27/372175127.db2.gz XYZOMJZTJNVQCY-ZBEGNZNMSA-N 0 0 296.370 3.052 10 70 CGIERN C[C@@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 ZINC000160289212 372234128 /nfs/dbraw/zinc/23/41/28/372234128.db2.gz DKBNOSLXBVEJBZ-DGCLKSJQSA-N 0 0 289.404 3.329 10 70 CGIERN c1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160601342 372261090 /nfs/dbraw/zinc/26/10/90/372261090.db2.gz HLNGJMUXLCDMAI-INIZCTEOSA-N 0 0 296.418 3.342 10 70 CGIERN CCC[C@H](NC(=O)c1cccc(C)c1)C(=O)OC(C)(C)C ZINC000161356165 372317168 /nfs/dbraw/zinc/31/71/68/372317168.db2.gz QCFLINSOFYQYBI-AWEZNQCLSA-N 0 0 291.391 3.235 10 70 CGIERN C[C@@H]1CC[C@H](C(=O)N2C[C@H](C)CSc3ccccc32)O1 ZINC000159697650 296677782 /nfs/dbraw/zinc/67/77/82/296677782.db2.gz HLARBWLNRIRTQJ-OUCADQQQSA-N 0 0 291.416 3.329 10 70 CGIERN C[C@@H](O)C1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159427625 277635911 /nfs/dbraw/zinc/63/59/11/277635911.db2.gz NECAQRPUFXCCAW-SNVBAGLBSA-N 0 0 292.329 3.110 10 70 CGIERN CC(C)=C(F)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159376987 519391191 /nfs/dbraw/zinc/39/11/91/519391191.db2.gz OEFMDRDPURNLLF-GFCCVEGCSA-N 0 0 287.338 3.313 10 70 CGIERN Cc1ccc([C@H](C)NC(=O)c2c(F)cc(F)cc2F)o1 ZINC000160456694 525908535 /nfs/dbraw/zinc/90/85/35/525908535.db2.gz PWDMLLNZKHZNRI-QMMMGPOBSA-N 0 0 283.249 3.496 10 70 CGIERN CCc1nnc(CN[C@H](C)c2ccc(CC(C)C)cc2)[nH]1 ZINC000160263948 372231930 /nfs/dbraw/zinc/23/19/30/372231930.db2.gz CYAYSJSKHDAJLF-CYBMUJFWSA-N 0 0 286.423 3.416 10 70 CGIERN C[C@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccs1 ZINC000160289092 372234146 /nfs/dbraw/zinc/23/41/46/372234146.db2.gz DKBNOSLXBVEJBZ-WCQYABFASA-N 0 0 289.404 3.329 10 70 CGIERN O[C@]12CCCC[C@@H]1CN(c1ccc3ccccc3n1)CC2 ZINC000160726222 372271481 /nfs/dbraw/zinc/27/14/81/372271481.db2.gz PJUBGVXORIBABX-QAPCUYQASA-N 0 0 282.387 3.366 10 70 CGIERN CCC[C@@H](C(=O)Nc1ccc(C)cc1Cl)[NH+](C)C ZINC000161165087 372305707 /nfs/dbraw/zinc/30/57/07/372305707.db2.gz CATSAQCGNQDVKD-ZDUSSCGKSA-N 0 0 268.788 3.317 10 70 CGIERN CCS[C@H]1CC[C@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000218049883 376182782 /nfs/dbraw/zinc/18/27/82/376182782.db2.gz NJIPZZRHBLTLRX-RYUDHWBXSA-N 0 0 294.420 3.263 10 70 CGIERN CC(C)(C)OC(=O)NC[C@H](c1ccccc1)c1ccnnc1 ZINC000217354976 346291110 /nfs/dbraw/zinc/29/11/10/346291110.db2.gz DBMSQZGNHNPNRT-OAHLLOKOSA-N 0 0 299.374 3.133 10 70 CGIERN CCS[C@H]1CC[C@H](Nc2ncnc(CC)c2F)C1 ZINC000218050544 138492903 /nfs/dbraw/zinc/49/29/03/138492903.db2.gz IORNMYZTYDVWNW-UWVGGRQHSA-N 0 0 269.389 3.264 10 70 CGIERN CC(C)[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159679414 372168591 /nfs/dbraw/zinc/16/85/91/372168591.db2.gz ILDBICUBAXGBOW-ZDUSSCGKSA-N 0 0 280.318 3.332 10 70 CGIERN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1F ZINC000161116629 372302325 /nfs/dbraw/zinc/30/23/25/372302325.db2.gz MBSJSURLTZKOPW-NXEZZACHSA-N 0 0 285.746 3.037 10 70 CGIERN CCC[C@H](NC(=O)c1cc(C)oc1C)C(=O)OC(C)(C)C ZINC000161319610 372316438 /nfs/dbraw/zinc/31/64/38/372316438.db2.gz DUHOYCFUJDDVOS-ZDUSSCGKSA-N 0 0 295.379 3.137 10 70 CGIERN CC(C)[C@@H](C)NC(=O)NCCOCc1ccc(Cl)cc1 ZINC000161362682 372319971 /nfs/dbraw/zinc/31/99/71/372319971.db2.gz FCDUDNJBHCMORY-GFCCVEGCSA-N 0 0 298.814 3.200 10 70 CGIERN O=S(=O)(Cl)Cc1cc(Cl)ccc1OC(F)F ZINC000106524803 541999863 /nfs/dbraw/zinc/99/98/63/541999863.db2.gz DUPLFBNAUPMLDO-UHFFFAOYSA-N 0 0 291.102 3.010 10 70 CGIERN COC(=O)c1nc(-c2ccccc2C)cc(C(F)(F)F)n1 ZINC000217036001 376171473 /nfs/dbraw/zinc/17/14/73/376171473.db2.gz GKTJYJZHONJTAM-UHFFFAOYSA-N 0 0 296.248 3.257 10 70 CGIERN CC1(C)CCC(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000159416605 278193745 /nfs/dbraw/zinc/19/37/45/278193745.db2.gz BMVBVJQFZGTZOI-QAPCUYQASA-N 0 0 293.451 3.356 10 70 CGIERN CCO[C@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159486825 321835969 /nfs/dbraw/zinc/83/59/69/321835969.db2.gz KISKBYQWYYXEIC-ZIAGYGMSSA-N 0 0 293.407 3.324 10 70 CGIERN CCCOCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159879473 321842580 /nfs/dbraw/zinc/84/25/80/321842580.db2.gz YSBODFUWNXQARD-AWEZNQCLSA-N 0 0 293.407 3.325 10 70 CGIERN COCC1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159447063 522937714 /nfs/dbraw/zinc/93/77/14/522937714.db2.gz VFEFYEREUVHFQU-UHFFFAOYSA-N 0 0 292.329 3.376 10 70 CGIERN C[C@H]1CC[C@@H](NC(=O)C2(O)CCCC2)c2ccccc21 ZINC000159468462 372145785 /nfs/dbraw/zinc/14/57/85/372145785.db2.gz XBRUQFYYPBQCSU-SWLSCSKDSA-N 0 0 273.376 3.046 10 70 CGIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000159523213 372152548 /nfs/dbraw/zinc/15/25/48/372152548.db2.gz XUXGRDYKUUWJSU-CZUORRHYSA-N 0 0 291.391 3.078 10 70 CGIERN CC[C@@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159745467 372175414 /nfs/dbraw/zinc/17/54/14/372175414.db2.gz YAMCUUVGJMCKBZ-GFCCVEGCSA-N 0 0 261.340 3.488 10 70 CGIERN CCC[C@@H](Nc1ccnc(C2CC2)n1)C(=O)OC(C)(C)C ZINC000159988029 372201458 /nfs/dbraw/zinc/20/14/58/372201458.db2.gz HZXXAXHCGPDJDK-GFCCVEGCSA-N 0 0 291.395 3.276 10 70 CGIERN CCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000161484529 372329020 /nfs/dbraw/zinc/32/90/20/372329020.db2.gz FXXUVDOBKWTSNV-ZDUSSCGKSA-N 0 0 295.354 3.066 10 70 CGIERN O=S(=O)(Cl)[C@@H]1CCc2c1cccc2Br ZINC000236020194 572346803 /nfs/dbraw/zinc/34/68/03/572346803.db2.gz YBZHUKOVRCTJNG-SECBINFHSA-N 0 0 295.585 3.005 10 70 CGIERN Cc1ccc(C(=O)c2sc(N)nc2C(F)F)cc1 ZINC000217010930 376171263 /nfs/dbraw/zinc/17/12/63/376171263.db2.gz SCTYRUORDVXYFK-UHFFFAOYSA-N 0 0 268.288 3.202 10 70 CGIERN COCc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000159852686 542151998 /nfs/dbraw/zinc/15/19/98/542151998.db2.gz QTVSPRFEFBYDTN-HNNXBMFYSA-N 0 0 285.343 3.233 10 70 CGIERN C[C@H](O)C1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159427487 278286798 /nfs/dbraw/zinc/28/67/98/278286798.db2.gz NECAQRPUFXCCAW-JTQLQIEISA-N 0 0 292.329 3.110 10 70 CGIERN CCC[C@@H](NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC000161296767 321866073 /nfs/dbraw/zinc/86/60/73/321866073.db2.gz BTOJUCXIDVALQM-CYBMUJFWSA-N 0 0 283.412 3.193 10 70 CGIERN C[C@]1(CO)CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160083330 136708258 /nfs/dbraw/zinc/70/82/58/136708258.db2.gz QTNLNKHANOGOJR-INIZCTEOSA-N 0 0 292.329 3.112 10 70 CGIERN CC(C)=C(F)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159376851 372138179 /nfs/dbraw/zinc/13/81/79/372138179.db2.gz OEFMDRDPURNLLF-LBPRGKRZSA-N 0 0 287.338 3.313 10 70 CGIERN O=C(CC(F)(F)F)N1CC=C(c2ccccc2F)CC1 ZINC000159594542 372158833 /nfs/dbraw/zinc/15/88/33/372158833.db2.gz VDZIMYJYCXITPA-UHFFFAOYSA-N 0 0 287.256 3.394 10 70 CGIERN CCSC[C@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159789580 372181758 /nfs/dbraw/zinc/18/17/58/372181758.db2.gz BJJJBERNLHMFIC-VIFPVBQESA-N 0 0 273.471 3.413 10 70 CGIERN OC[C@H](Nc1ccnc2c(F)cc(F)cc12)c1ccco1 ZINC000159763967 372177446 /nfs/dbraw/zinc/17/74/46/372177446.db2.gz GNXMPPXIKVXFEO-ZDUSSCGKSA-N 0 0 290.269 3.252 10 70 CGIERN c1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160601209 372261364 /nfs/dbraw/zinc/26/13/64/372261364.db2.gz HLNGJMUXLCDMAI-MRXNPFEDSA-N 0 0 296.418 3.342 10 70 CGIERN O[C@@]12CCCC[C@@H]1CN(c1ccc3ccccc3n1)CC2 ZINC000160726082 372271011 /nfs/dbraw/zinc/27/10/11/372271011.db2.gz PJUBGVXORIBABX-CRAIPNDOSA-N 0 0 282.387 3.366 10 70 CGIERN C[C@H](NC(=O)NO[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000161236808 372311343 /nfs/dbraw/zinc/31/13/43/372311343.db2.gz ICICPADJJWELMT-GWCFXTLKSA-N 0 0 298.770 3.158 10 70 CGIERN FC(F)(F)c1nnc(N[C@@H]2COc3ccccc32)s1 ZINC000160333903 392582557 /nfs/dbraw/zinc/58/25/57/392582557.db2.gz QWEQPKONVMVJNC-SSDOTTSWSA-N 0 0 287.266 3.103 10 70 CGIERN CC(C)n1ccnc1CS(=O)(=O)c1ccc(Cl)cc1 ZINC000160956086 276086374 /nfs/dbraw/zinc/08/63/74/276086374.db2.gz MOWQFJIPMXTPNC-UHFFFAOYSA-N 0 0 298.795 3.091 10 70 CGIERN COCCn1cc(N[C@H]2CCCC[C@H]2C(C)C)cn1 ZINC000160309070 292736303 /nfs/dbraw/zinc/73/63/03/292736303.db2.gz VVKWXHVGCMFIKA-GJZGRUSLSA-N 0 0 265.401 3.156 10 70 CGIERN CCCC[C@@H](NC(=O)CC(C)C)C(=O)OC(C)(C)C ZINC000161118859 321862545 /nfs/dbraw/zinc/86/25/45/321862545.db2.gz WCLSOWKHJLOQDA-GFCCVEGCSA-N 0 0 271.401 3.049 10 70 CGIERN c1csc([C@H]2CCCCN2CCOCC2CC2)n1 ZINC000160007099 232243051 /nfs/dbraw/zinc/24/30/51/232243051.db2.gz GFFQDFFSGARYDD-CYBMUJFWSA-N 0 0 266.410 3.097 10 70 CGIERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000159722197 346168459 /nfs/dbraw/zinc/16/84/59/346168459.db2.gz MBDZPAQHHGGXEK-BBRMVZONSA-N 0 0 287.407 3.453 10 70 CGIERN C[C@@H](CCCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159933363 372195781 /nfs/dbraw/zinc/19/57/81/372195781.db2.gz PWACWAUIGRZNNR-VIFPVBQESA-N 0 0 266.291 3.086 10 70 CGIERN CSCC[C@H](CO)Nc1ccnc2c(F)cc(F)cc12 ZINC000160009528 372202786 /nfs/dbraw/zinc/20/27/86/372202786.db2.gz GZZUIOCNMVNYIX-SNVBAGLBSA-N 0 0 298.358 3.039 10 70 CGIERN CC(C)[C@@H](C)NC(=O)[C@H](C)c1c(F)cccc1F ZINC000161115117 372302568 /nfs/dbraw/zinc/30/25/68/372302568.db2.gz RUWNFAOIRCWGPZ-NXEZZACHSA-N 0 0 255.308 3.229 10 70 CGIERN C[C@@H]1OCCN(c2ccnc3c(F)cc(F)cc23)[C@H]1C ZINC000159996862 278053447 /nfs/dbraw/zinc/05/34/47/278053447.db2.gz BLVMFPQMXXJTIK-UWVGGRQHSA-N 0 0 278.302 3.127 10 70 CGIERN Cc1cc(CN(C)C(=O)[C@H]2C[C@H]2C2CCCCC2)no1 ZINC000160193995 301270443 /nfs/dbraw/zinc/27/04/43/301270443.db2.gz NRNJJMQJWOBCQJ-GJZGRUSLSA-N 0 0 276.380 3.158 10 70 CGIERN Clc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000161434873 526946792 /nfs/dbraw/zinc/94/67/92/526946792.db2.gz BQSJMKYLPPKIFE-CYBMUJFWSA-N 0 0 294.807 3.370 10 70 CGIERN COC[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159461923 372146094 /nfs/dbraw/zinc/14/60/94/372146094.db2.gz CGQXGVLBZVINOR-NSHDSACASA-N 0 0 292.329 3.376 10 70 CGIERN CS[C@@H](C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159595091 372159438 /nfs/dbraw/zinc/15/94/38/372159438.db2.gz ZVHVASHEILSRNK-NSHDSACASA-N 0 0 279.380 3.193 10 70 CGIERN CC[C@H](NC(=O)C[C@@H](O)C(C)C)C(C)(C)c1ccccc1 ZINC000160776755 372274969 /nfs/dbraw/zinc/27/49/69/372274969.db2.gz BQDQWBHMNAONAO-CVEARBPZSA-N 0 0 291.435 3.266 10 70 CGIERN CCC[C@H](C(=O)Nc1cccc(Cl)c1C)[NH+](C)C ZINC000161153847 372305869 /nfs/dbraw/zinc/30/58/69/372305869.db2.gz ROJDWMWWERYPNM-CYBMUJFWSA-N 0 0 268.788 3.317 10 70 CGIERN CCc1cnc([C@H](C)Nc2ncnc(CC)c2F)s1 ZINC000218058540 376182411 /nfs/dbraw/zinc/18/24/11/376182411.db2.gz NUTSNZIYWDOYHL-QMMMGPOBSA-N 0 0 280.372 3.370 10 70 CGIERN FC(F)(F)c1nnc(N[C@H]2COc3ccccc32)s1 ZINC000160334020 392581889 /nfs/dbraw/zinc/58/18/89/392581889.db2.gz QWEQPKONVMVJNC-ZETCQYMHSA-N 0 0 287.266 3.103 10 70 CGIERN CC1(C)C[C@H](NC(=O)c2cc[nH]c2)c2ccccc2O1 ZINC000159816973 278386445 /nfs/dbraw/zinc/38/64/45/278386445.db2.gz NGAVTFDWUGHNFV-ZDUSSCGKSA-N 0 0 270.332 3.047 10 70 CGIERN CC1(C)CCc2ccccc2[C@H]1NC(=O)NCCCF ZINC000160734663 321856648 /nfs/dbraw/zinc/85/66/48/321856648.db2.gz DCBQELWZHYBLDS-CQSZACIVSA-N 0 0 278.371 3.359 10 70 CGIERN COc1cccnc1N[C@H]1CCCc2cc(N)ccc21 ZINC000159504618 372150912 /nfs/dbraw/zinc/15/09/12/372150912.db2.gz UBIHEMRPGJQASH-AWEZNQCLSA-N 0 0 269.348 3.162 10 70 CGIERN C[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)C1CC1 ZINC000159737867 372174327 /nfs/dbraw/zinc/17/43/27/372174327.db2.gz UQPHNPDNSLBGTG-LBPRGKRZSA-N 0 0 273.351 3.488 10 70 CGIERN CCC[C@@H](Nc1nc(CC)ns1)C(=O)OC(C)(C)C ZINC000159992297 165471656 /nfs/dbraw/zinc/47/16/56/165471656.db2.gz KCGUTIREMWYZAF-SECBINFHSA-N 0 0 285.413 3.023 10 70 CGIERN CCC[C@@H](NC(=O)C(C)(C)CC)C(=O)OC(C)(C)C ZINC000161369174 321866814 /nfs/dbraw/zinc/86/68/14/321866814.db2.gz KTJONBFSDOQRAG-LLVKDONJSA-N 0 0 271.401 3.049 10 70 CGIERN COc1nc(C)nc(N[C@@H]2CCO[C@H]2c2ccccc2)c1C ZINC000159416066 524966919 /nfs/dbraw/zinc/96/69/19/524966919.db2.gz LLLYYOAVXYAKTG-CABCVRRESA-N 0 0 299.374 3.044 10 70 CGIERN C[C@@H](O)C[C@@H]1CCCN1c1ccnc2c(F)cc(F)cc12 ZINC000160085110 188454075 /nfs/dbraw/zinc/45/40/75/188454075.db2.gz PMMGLDPXKAQKAC-PWSUYJOCSA-N 0 0 292.329 3.253 10 70 CGIERN C[C@H](O)C[C@H](C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159597346 372158718 /nfs/dbraw/zinc/15/87/18/372158718.db2.gz DORFERLIDRPWAW-UWVGGRQHSA-N 0 0 280.318 3.332 10 70 CGIERN CC(C)[C@@H](O)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159667301 372166312 /nfs/dbraw/zinc/16/63/12/372166312.db2.gz PUTFRRHAMAZMOW-WQVCFCJDSA-N 0 0 275.392 3.148 10 70 CGIERN CCOC[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159817888 372183254 /nfs/dbraw/zinc/18/32/54/372183254.db2.gz OREALQUVAIKFDT-LLVKDONJSA-N 0 0 292.329 3.376 10 70 CGIERN CC(C)[C@H](C)NC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160676047 372268278 /nfs/dbraw/zinc/26/82/78/372268278.db2.gz WCVVUZWNGLLGDH-HOCLYGCPSA-N 0 0 289.423 3.317 10 70 CGIERN CCCC[C@@H](NC(=O)C(C)(C)C)C(=O)OC(C)(C)C ZINC000161101865 372302235 /nfs/dbraw/zinc/30/22/35/372302235.db2.gz KDWJWOMXNLUFDO-LLVKDONJSA-N 0 0 271.401 3.049 10 70 CGIERN O=C(c1ccoc1)N1CC=C(c2ccccc2F)CC1 ZINC000159724660 165468724 /nfs/dbraw/zinc/46/87/24/165468724.db2.gz HRYDYTQZMRCCOL-UHFFFAOYSA-N 0 0 271.291 3.348 10 70 CGIERN CCC1(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CCCC1 ZINC000160434009 521664485 /nfs/dbraw/zinc/66/44/85/521664485.db2.gz WDDZWCQTGYUVFJ-PBHICJAKSA-N 0 0 279.424 3.110 10 70 CGIERN O=C(C1=CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000160354617 526274351 /nfs/dbraw/zinc/27/43/51/526274351.db2.gz VGIGLYPKJWDCOE-UHFFFAOYSA-N 0 0 287.334 3.136 10 70 CGIERN c1csc([C@@H]2CCCCN2CCOCC2CC2)n1 ZINC000160006960 232243218 /nfs/dbraw/zinc/24/32/18/232243218.db2.gz GFFQDFFSGARYDD-ZDUSSCGKSA-N 0 0 266.410 3.097 10 70 CGIERN COCCn1cc(N[C@@H]2CCCC[C@H]2C(C)C)cn1 ZINC000160309344 232244555 /nfs/dbraw/zinc/24/45/55/232244555.db2.gz VVKWXHVGCMFIKA-LSDHHAIUSA-N 0 0 265.401 3.156 10 70 CGIERN CCO[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159486592 372149305 /nfs/dbraw/zinc/14/93/05/372149305.db2.gz KISKBYQWYYXEIC-UONOGXRCSA-N 0 0 293.407 3.324 10 70 CGIERN CSC[C@@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159558563 372155094 /nfs/dbraw/zinc/15/50/94/372155094.db2.gz XEGJVXGANYKRLR-MRVPVSSYSA-N 0 0 259.444 3.023 10 70 CGIERN O=C(NCC1(C2CC2)CC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000159647318 372163868 /nfs/dbraw/zinc/16/38/68/372163868.db2.gz GHGODCCPPXKTJO-STQMWFEESA-N 0 0 291.341 3.375 10 70 CGIERN CCc1ccc([C@H](C)NC(=O)NO[C@@H]2CCCCO2)cc1 ZINC000161249460 372312545 /nfs/dbraw/zinc/31/25/45/372312545.db2.gz QCFOMIBSQZFOTN-SWLSCSKDSA-N 0 0 292.379 3.067 10 70 CGIERN CCc1ccc([C@@H](C)NC(=O)NO[C@H]2CCCCO2)cc1 ZINC000161249549 372313150 /nfs/dbraw/zinc/31/31/50/372313150.db2.gz QCFOMIBSQZFOTN-DOMZBBRYSA-N 0 0 292.379 3.067 10 70 CGIERN CCC[C@H](NC(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000161405071 372321198 /nfs/dbraw/zinc/32/11/98/372321198.db2.gz MJGHCIFFTBCFFB-NSHDSACASA-N 0 0 271.401 3.049 10 70 CGIERN COCc1ccc(C(=O)N[C@@H](C)c2ccccc2C)o1 ZINC000160141591 542152371 /nfs/dbraw/zinc/15/23/71/542152371.db2.gz XQCVVDARGYNMMR-LBPRGKRZSA-N 0 0 273.332 3.225 10 70 CGIERN CC(C)[C@H](O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000159637905 519823140 /nfs/dbraw/zinc/82/31/40/519823140.db2.gz PAAWNEYVQFSXJZ-CQSZACIVSA-N 0 0 280.318 3.332 10 70 CGIERN Cc1cccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000161146449 346174724 /nfs/dbraw/zinc/17/47/24/346174724.db2.gz OZDUFGGEKDTRCS-CVEARBPZSA-N 0 0 272.392 3.223 10 70 CGIERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1C ZINC000159785406 372179871 /nfs/dbraw/zinc/17/98/71/372179871.db2.gz GYUPKIKEWSJSGS-DZGCQCFKSA-N 0 0 284.407 3.335 10 70 CGIERN COC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159457972 372145959 /nfs/dbraw/zinc/14/59/59/372145959.db2.gz ANEZFFXWOBNFBO-SLEUVZQESA-N 0 0 261.365 3.024 10 70 CGIERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000159759790 372175406 /nfs/dbraw/zinc/17/54/06/372175406.db2.gz XYZOMJZTJNVQCY-BZNIZROVSA-N 0 0 296.370 3.052 10 70 CGIERN CC(C)(C)c1nsc(Oc2ccc(CCO)cc2)n1 ZINC000160086969 372210294 /nfs/dbraw/zinc/21/02/94/372210294.db2.gz IPXXFTZBXHPFFL-UHFFFAOYSA-N 0 0 278.377 3.163 10 70 CGIERN COc1c(CN(C)Cc2ccc(Cl)cc2)c(C)nn1C ZINC000160810086 372276720 /nfs/dbraw/zinc/27/67/20/372276720.db2.gz KZGSXPCUBBKYJT-UHFFFAOYSA-N 0 0 293.798 3.023 10 70 CGIERN Cn1c(COc2ccc(Cl)c(F)c2)nnc1C1CC1 ZINC000161107193 372302205 /nfs/dbraw/zinc/30/22/05/372302205.db2.gz GNPQAJOAVFRMII-UHFFFAOYSA-N 0 0 281.718 3.064 10 70 CGIERN CCCC[C@@H](NC(=O)C1CCCC1)C(=O)OC(C)(C)C ZINC000161180168 372308152 /nfs/dbraw/zinc/30/81/52/372308152.db2.gz LVTSKSRQJRZNBN-CYBMUJFWSA-N 0 0 283.412 3.193 10 70 CGIERN O=S(=O)(Cl)[C@H]1CCc2c1cccc2Br ZINC000236020267 572346793 /nfs/dbraw/zinc/34/67/93/572346793.db2.gz YBZHUKOVRCTJNG-VIFPVBQESA-N 0 0 295.585 3.005 10 70 CGIERN CCCC[C@@H](NC(=O)[C@@H](C)CC)C(=O)OC(C)(C)C ZINC000161211114 321864755 /nfs/dbraw/zinc/86/47/55/321864755.db2.gz ZJFIAIJULOORBV-NWDGAFQWSA-N 0 0 271.401 3.049 10 70 CGIERN O[C@H]1CCC[C@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000159619117 526309094 /nfs/dbraw/zinc/30/90/94/526309094.db2.gz ATOQQLMIWZXDJX-JQWIXIFHSA-N 0 0 292.329 3.476 10 70 CGIERN C[C@@]1(CO)CCC[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000159654690 372164998 /nfs/dbraw/zinc/16/49/98/372164998.db2.gz WQYFSPFWBRSOIN-HOCLYGCPSA-N 0 0 292.329 3.476 10 70 CGIERN C[C@@H]1CC[C@@H](C(=O)N2C[C@H](C)CSc3ccccc32)O1 ZINC000159697927 372169951 /nfs/dbraw/zinc/16/99/51/372169951.db2.gz HLARBWLNRIRTQJ-SCRDCRAPSA-N 0 0 291.416 3.329 10 70 CGIERN O=C(c1ccco1)N1CC=C(c2ccccc2F)CC1 ZINC000159699915 372170677 /nfs/dbraw/zinc/17/06/77/372170677.db2.gz WUEGLOCIKHZEQK-UHFFFAOYSA-N 0 0 271.291 3.348 10 70 CGIERN CSCCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000159824687 372185395 /nfs/dbraw/zinc/18/53/95/372185395.db2.gz MUCKZWOXNFQZFF-NSHDSACASA-N 0 0 255.383 3.299 10 70 CGIERN CCC[C@H](NC(=O)c1oc(C)cc1C)C(=O)OC(C)(C)C ZINC000161429367 372322869 /nfs/dbraw/zinc/32/28/69/372322869.db2.gz XIIFTHYKHDQJBB-LBPRGKRZSA-N 0 0 295.379 3.137 10 70 CGIERN O=C(NCc1cccs1)NC1C2CC3CC(C2)CC1C3 ZINC000159709516 542150359 /nfs/dbraw/zinc/15/03/59/542150359.db2.gz SBLLXWQABLQIIK-UHFFFAOYSA-N 0 0 290.432 3.372 10 70 CGIERN COc1cc(OC)nc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000159794342 533087299 /nfs/dbraw/zinc/08/72/99/533087299.db2.gz YNJCXBOKGKFLSF-SNVBAGLBSA-N 0 0 291.326 3.114 10 70 CGIERN O[C@]12CCCC[C@@H]1CN(c1ncc(Cl)cc1F)CC2 ZINC000160763648 280450185 /nfs/dbraw/zinc/45/01/85/280450185.db2.gz WHNNFRJHTSIDCX-YGRLFVJLSA-N 0 0 284.762 3.006 10 70 CGIERN CC(C)[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)c2ccccc2N1 ZINC000159831006 321841907 /nfs/dbraw/zinc/84/19/07/321841907.db2.gz IKBGYVJHNFSTHF-XPKDYRNWSA-N 0 0 288.391 3.037 10 70 CGIERN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc2ccc(F)cc2s1 ZINC000161191820 572883367 /nfs/dbraw/zinc/88/33/67/572883367.db2.gz JFVBPKWDPQMJAJ-NEPJUHHUSA-N 0 0 293.363 3.074 10 70 CGIERN CCOC(CSc1ccc(C)cc1OC)OCC ZINC000217663810 346290978 /nfs/dbraw/zinc/29/09/78/346290978.db2.gz SPVHAGRWFNXBCU-UHFFFAOYSA-N 0 0 270.394 3.495 10 70 CGIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCCO2)cc1 ZINC000159523368 372151735 /nfs/dbraw/zinc/15/17/35/372151735.db2.gz XUXGRDYKUUWJSU-XJKSGUPXSA-N 0 0 291.391 3.078 10 70 CGIERN O[C@@H]1CCC[C@H](CNc2ccnc3c(F)cc(F)cc23)C1 ZINC000159619388 372161394 /nfs/dbraw/zinc/16/13/94/372161394.db2.gz ATOQQLMIWZXDJX-CMPLNLGQSA-N 0 0 292.329 3.476 10 70 CGIERN O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000159647736 372164902 /nfs/dbraw/zinc/16/49/02/372164902.db2.gz GHGODCCPPXKTJO-CHWSQXEVSA-N 0 0 291.341 3.375 10 70 CGIERN COC(C)(C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159688891 372170061 /nfs/dbraw/zinc/17/00/61/372170061.db2.gz KPSHYUTZVSAEBC-UHFFFAOYSA-N 0 0 266.291 3.350 10 70 CGIERN Cc1ccccc1[C@@H](C)N[C@@H](C)c1nnc2n1CCCC2 ZINC000159711432 372172576 /nfs/dbraw/zinc/17/25/76/372172576.db2.gz HPLULNUIFCLDLA-KGLIPLIRSA-N 0 0 284.407 3.335 10 70 CGIERN C[C@@H](O)[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160045452 372206309 /nfs/dbraw/zinc/20/63/09/372206309.db2.gz QHJGXSFSENETDF-GHMZBOCLSA-N 0 0 292.329 3.110 10 70 CGIERN CCC[C@H](C(=O)Nc1ccc(C)cc1Cl)[NH+](C)C ZINC000161165202 372305943 /nfs/dbraw/zinc/30/59/43/372305943.db2.gz CATSAQCGNQDVKD-CYBMUJFWSA-N 0 0 268.788 3.317 10 70 CGIERN C[C@H](NC(=O)[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000159932330 542151363 /nfs/dbraw/zinc/15/13/63/542151363.db2.gz VTXLHJGHRZEOPZ-GWCFXTLKSA-N 0 0 267.756 3.086 10 70 CGIERN CCC[C@@H](NC(=O)C(CC)CC)C(=O)OC(C)(C)C ZINC000161467627 321868121 /nfs/dbraw/zinc/86/81/21/321868121.db2.gz OORYERIHHOSHFL-GFCCVEGCSA-N 0 0 271.401 3.049 10 70 CGIERN CCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)OC(C)(C)C ZINC000161482075 321868542 /nfs/dbraw/zinc/86/85/42/321868542.db2.gz XZCRYZQWERKUIB-CYBMUJFWSA-N 0 0 295.354 3.066 10 70 CGIERN C[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccc(Br)cc1 ZINC000161278973 188519125 /nfs/dbraw/zinc/51/91/25/188519125.db2.gz KUEAJTBPBJNJTQ-AUTRQRHGSA-N 0 0 282.181 3.077 10 70 CGIERN C[C@@H]1CC[C@@H](NC(=O)CC2(O)CCCC2)c2ccccc21 ZINC000159461699 372146219 /nfs/dbraw/zinc/14/62/19/372146219.db2.gz MDILQQMGJKQXDC-CZUORRHYSA-N 0 0 287.403 3.436 10 70 CGIERN C[C@@H](O)C[C@@H](C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159597212 372158661 /nfs/dbraw/zinc/15/86/61/372158661.db2.gz DORFERLIDRPWAW-NXEZZACHSA-N 0 0 280.318 3.332 10 70 CGIERN O=C([C@@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 ZINC000159718271 372171479 /nfs/dbraw/zinc/17/14/79/372171479.db2.gz ALCOVQKEMNHDNG-INIZCTEOSA-N 0 0 289.350 3.011 10 70 CGIERN CCC1CCC(NC(=O)Cc2c(C)noc2Cl)CC1 ZINC000159861127 372189308 /nfs/dbraw/zinc/18/93/08/372189308.db2.gz BDDBKGJUVPNFNX-UHFFFAOYSA-N 0 0 284.787 3.264 10 70 CGIERN CCOC(=O)[C@@H](C)CNc1ccnc2c(F)cc(F)cc12 ZINC000159871176 372189633 /nfs/dbraw/zinc/18/96/33/372189633.db2.gz ILVPRMLYCPGRDS-VIFPVBQESA-N 0 0 294.301 3.124 10 70 CGIERN CC(C)[C@@H](C)NC(=O)NC1(c2cccc(F)c2)CC1 ZINC000160884487 372284808 /nfs/dbraw/zinc/28/48/08/372284808.db2.gz UYUHTWQPMOJGQP-LLVKDONJSA-N 0 0 264.344 3.159 10 70 CGIERN CCC[C@@H](NC(=O)C1(CC)CCC1)C(=O)OC(C)(C)C ZINC000161469647 321868086 /nfs/dbraw/zinc/86/80/86/321868086.db2.gz ZDICNHMDSXJKNC-GFCCVEGCSA-N 0 0 283.412 3.193 10 70 CGIERN CCCn1nccc1CN[C@H](C)c1cc(F)ccc1F ZINC000160008236 542153353 /nfs/dbraw/zinc/15/33/53/542153353.db2.gz SBYNCSSFDOLCLP-LLVKDONJSA-N 0 0 279.334 3.422 10 70 CGIERN CC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000218563514 392997982 /nfs/dbraw/zinc/99/79/82/392997982.db2.gz WTKBFXKXEKQLHS-UHFFFAOYSA-N 0 0 275.348 3.182 10 70 CGIERN COCCn1cc(N[C@H]2CCCC[C@@H]2C(C)C)cn1 ZINC000160309215 232243850 /nfs/dbraw/zinc/24/38/50/232243850.db2.gz VVKWXHVGCMFIKA-CABCVRRESA-N 0 0 265.401 3.156 10 70 CGIERN CCS[C@@H]1CC[C@@H](Nc2ccc(C(=O)OC)c(C)n2)C1 ZINC000218049645 138492840 /nfs/dbraw/zinc/49/28/40/138492840.db2.gz NJIPZZRHBLTLRX-VXGBXAGGSA-N 0 0 294.420 3.263 10 70 CGIERN CC[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159604079 372160762 /nfs/dbraw/zinc/16/07/62/372160762.db2.gz XLGFAHXNMDCTQQ-SNVBAGLBSA-N 0 0 266.291 3.086 10 70 CGIERN CSCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159623538 372162534 /nfs/dbraw/zinc/16/25/34/372162534.db2.gz KYSYWVBMWDRSGG-UHFFFAOYSA-N 0 0 279.380 3.195 10 70 CGIERN C[C@H]1C[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159639995 372164980 /nfs/dbraw/zinc/16/49/80/372164980.db2.gz SJYIWMSVUGVFJG-FZMZJTMJSA-N 0 0 259.324 3.097 10 70 CGIERN CCc1ccc([C@@H](C)NC(=O)NOCc2cccnc2)cc1 ZINC000161004965 372294163 /nfs/dbraw/zinc/29/41/63/372294163.db2.gz ILVCGOOGXBYCQC-CYBMUJFWSA-N 0 0 299.374 3.136 10 70 CGIERN Fc1cccc(CN2CCC(c3cc[nH]n3)CC2)c1F ZINC000160536603 372255531 /nfs/dbraw/zinc/25/55/31/372255531.db2.gz JFKKLSKLBUHPSG-UHFFFAOYSA-N 0 0 277.318 3.068 10 70 CGIERN CCC[C@@H](NC(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000161405203 372322046 /nfs/dbraw/zinc/32/20/46/372322046.db2.gz MJGHCIFFTBCFFB-LLVKDONJSA-N 0 0 271.401 3.049 10 70 CGIERN COC[C@H](C)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159621586 392580346 /nfs/dbraw/zinc/58/03/46/392580346.db2.gz PPJUEHXCUFYLFS-RYUDHWBXSA-N 0 0 279.405 3.044 10 70 CGIERN C[C@H]1OCCN(c2ccnc3c(F)cc(F)cc23)[C@H]1C ZINC000159997096 280056751 /nfs/dbraw/zinc/05/67/51/280056751.db2.gz BLVMFPQMXXJTIK-VHSXEESVSA-N 0 0 278.302 3.127 10 70 CGIERN CC1(C)CO[C@H](c2ccccc2)CN1CCOCC1CC1 ZINC000160394362 520512410 /nfs/dbraw/zinc/51/24/10/520512410.db2.gz UBUXCGSNRUBEHP-KRWDZBQOSA-N 0 0 289.419 3.265 10 70 CGIERN Clc1ccccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000161433673 526988924 /nfs/dbraw/zinc/98/89/24/526988924.db2.gz HIFLCLLHOMNWLI-CYBMUJFWSA-N 0 0 294.807 3.370 10 70 CGIERN