smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000159533232 186125656 /nfs/dbraw/zinc/12/56/56/186125656.db2.gz ZNYPRPKCAJAKMC-ZFWWWQNUSA-N 0 0 315.369 3.022 10 70 DGIERN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160884262 197446740 /nfs/dbraw/zinc/44/67/40/197446740.db2.gz XYWVPBKLLZBXPA-DOMZBBRYSA-N 0 0 300.406 3.009 10 70 DGIERN CS[C@H](C)CC(=O)NCc1cc(F)cc(Br)c1 ZINC000160632325 197427679 /nfs/dbraw/zinc/42/76/79/197427679.db2.gz VKFAQWAOPNTDRL-MRVPVSSYSA-N 0 0 320.227 3.346 10 70 DGIERN O=C(NCCc1ccsc1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160409636 197408616 /nfs/dbraw/zinc/40/86/16/197408616.db2.gz RKYUREYQYOFHCW-CQSZACIVSA-N 0 0 322.455 3.135 10 70 DGIERN CCc1ccc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)s1 ZINC000160190526 197392215 /nfs/dbraw/zinc/39/22/15/197392215.db2.gz QVCHFTJACRZSKS-SNVBAGLBSA-N 0 0 311.428 3.056 10 70 DGIERN COC1(CNc2ccnc3c(F)cc(F)cc23)CCOCC1 ZINC000160048768 197381741 /nfs/dbraw/zinc/38/17/41/197381741.db2.gz DUKPNHUWLCRRFH-UHFFFAOYSA-N 0 0 308.328 3.121 10 70 DGIERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H](C)c1cccs1)C2 ZINC000159986217 197377920 /nfs/dbraw/zinc/37/79/20/197377920.db2.gz UAAQEEFWBOPMNR-GFCCVEGCSA-N 0 0 317.458 3.293 10 70 DGIERN CC[C@H](NC(=O)COc1cc(C)n(C)n1)c1ccc(Cl)cc1 ZINC000159824338 197367305 /nfs/dbraw/zinc/36/73/05/197367305.db2.gz YGCWHKNKGYDZPT-AWEZNQCLSA-N 0 0 321.808 3.028 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccoc3)no2)o1 ZINC000159820193 197366126 /nfs/dbraw/zinc/36/61/26/197366126.db2.gz VRMSJLLFMWZUIF-NSHDSACASA-N 0 0 315.329 3.041 10 70 DGIERN Cc1c(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)cnn1C ZINC000159480511 197357059 /nfs/dbraw/zinc/35/70/59/197357059.db2.gz HANJQBGDHUUEJZ-CYBMUJFWSA-N 0 0 315.417 3.254 10 70 DGIERN CCN(CCc1nccs1)Cc1noc(-c2ccccc2)n1 ZINC000159397659 197350923 /nfs/dbraw/zinc/35/09/23/197350923.db2.gz HGQYRAOSFFTZEV-UHFFFAOYSA-N 0 0 314.414 3.258 10 70 DGIERN COC(=O)[C@H](NCc1cc(F)c(F)cc1F)c1ccccc1 ZINC000161036890 533340247 /nfs/dbraw/zinc/34/02/47/533340247.db2.gz IQKFRWCIENILPC-OAHLLOKOSA-N 0 0 309.287 3.108 10 70 DGIERN O=C(Cl)c1cc(S(=O)(=O)Cl)c(Cl)cc1Cl ZINC000159134810 400729022 /nfs/dbraw/zinc/72/90/22/400729022.db2.gz OEMVUPJFDMRMKJ-UHFFFAOYSA-N 0 0 307.969 3.300 10 70 DGIERN O=C(c1ccc(F)c(Cl)c1)N1CCC(=O)Nc2ccccc21 ZINC000160911648 228248742 /nfs/dbraw/zinc/24/87/42/228248742.db2.gz ZTBBEMMEPBWEFS-UHFFFAOYSA-N 0 0 318.735 3.468 10 70 DGIERN CC1(C)C[C@@H](NC(=O)CC2(O)CCCCC2)c2ccccc2O1 ZINC000159935921 276141129 /nfs/dbraw/zinc/14/11/29/276141129.db2.gz AUYQWYNTDPVKMW-OAHLLOKOSA-N 0 0 317.429 3.490 10 70 DGIERN C[C@H](CSCc1ccccc1OC(F)F)CS(C)(=O)=O ZINC000159680388 432692266 /nfs/dbraw/zinc/69/22/66/432692266.db2.gz PXOOZAHVRIFZLI-SNVBAGLBSA-N 0 0 324.414 3.202 10 70 DGIERN C[C@H](CS[C@@H](C)CCc1ccccc1)CS(C)(=O)=O ZINC000159731702 432693874 /nfs/dbraw/zinc/69/38/74/432693874.db2.gz FJHZUHQUOFZEPN-KGLIPLIRSA-N 0 0 300.489 3.422 10 70 DGIERN O=C(N[C@@H]1CCCc2sccc21)c1cccc(-n2cncn2)c1 ZINC000159812503 432697081 /nfs/dbraw/zinc/69/70/81/432697081.db2.gz IVOYKZUYRQXZOM-OAHLLOKOSA-N 0 0 324.409 3.136 10 70 DGIERN CSCc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)ccc1F ZINC000159815308 432697554 /nfs/dbraw/zinc/69/75/54/432697554.db2.gz MEKCTHMKUCTSQF-FVQBIDKESA-N 0 0 323.433 3.376 10 70 DGIERN Cc1nn(CC(C)C)c(C)c1CC(=O)NCC1(C2CC2)CC1 ZINC000159808054 432698211 /nfs/dbraw/zinc/69/82/11/432698211.db2.gz HGUUWPHMYVHUOM-UHFFFAOYSA-N 0 0 303.450 3.005 10 70 DGIERN CCCn1c2ccccc2nc1NC(=O)c1ccc(COC)o1 ZINC000159848435 432699521 /nfs/dbraw/zinc/69/95/21/432699521.db2.gz WIPVAXSKQLTSGA-UHFFFAOYSA-N 0 0 313.357 3.438 10 70 DGIERN O=c1nc(CSc2ccncc2)[nH]c2sc3c(c21)CCC3 ZINC000159949570 432702249 /nfs/dbraw/zinc/70/22/49/432702249.db2.gz ZLAHNZXVRCGOPN-UHFFFAOYSA-N 0 0 315.423 3.161 10 70 DGIERN Cc1cccc([C@H]2CCCN2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056259 432704532 /nfs/dbraw/zinc/70/45/32/432704532.db2.gz HBPNEBLFIHWHIB-OAHLLOKOSA-N 0 0 310.357 3.370 10 70 DGIERN CCc1oc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C ZINC000160040798 432705253 /nfs/dbraw/zinc/70/52/53/432705253.db2.gz VAHQATIBOAUGRF-UHFFFAOYSA-N 0 0 312.369 3.295 10 70 DGIERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000160219014 432712368 /nfs/dbraw/zinc/71/23/68/432712368.db2.gz QYGOWAKTINWUTH-SMDDNHRTSA-N 0 0 301.390 3.477 10 70 DGIERN O=C(NCCC1=CCCC1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000160255943 432713951 /nfs/dbraw/zinc/71/39/51/432713951.db2.gz FMWIHQGGWJXOKC-SFHVURJKSA-N 0 0 316.420 3.407 10 70 DGIERN CCc1cccc(CC(=O)Nc2nnc(C(F)(F)F)s2)c1 ZINC000160370441 432716900 /nfs/dbraw/zinc/71/69/00/432716900.db2.gz BMVIXQODWHFJIS-UHFFFAOYSA-N 0 0 315.320 3.301 10 70 DGIERN Cc1cc(C(=O)N(C)c2cccnc2N(C)C)cc(C)c1F ZINC000160375380 432718021 /nfs/dbraw/zinc/71/80/21/432718021.db2.gz GLJLQJKHSVYISF-UHFFFAOYSA-N 0 0 301.365 3.180 10 70 DGIERN CCc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)s1 ZINC000160480511 432723286 /nfs/dbraw/zinc/72/32/86/432723286.db2.gz UXBCZKDZVHCVEW-CXAGYDPISA-N 0 0 322.474 3.147 10 70 DGIERN Fc1cc(F)c2nccc(NCCOc3cccnc3)c2c1 ZINC000159484278 432684759 /nfs/dbraw/zinc/68/47/59/432684759.db2.gz LLVBHXPROCQTNP-UHFFFAOYSA-N 0 0 301.296 3.399 10 70 DGIERN CSC[C@H](C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159564350 432686760 /nfs/dbraw/zinc/68/67/60/432686760.db2.gz DCGGKCFEIGEARO-QWHCGFSZSA-N 0 0 303.431 3.049 10 70 DGIERN C[C@@H](NC(=O)CCc1ccccn1)c1ccccc1-n1cccn1 ZINC000159610428 432688083 /nfs/dbraw/zinc/68/80/83/432688083.db2.gz FUZDIBIPULJJRO-OAHLLOKOSA-N 0 0 320.396 3.077 10 70 DGIERN O=C(NC[C@@H]1CCc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000159603687 432689029 /nfs/dbraw/zinc/68/90/29/432689029.db2.gz MOHKMCDQGBZKNP-INIZCTEOSA-N 0 0 324.428 3.029 10 70 DGIERN CC(C)CC[C@@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160883467 432747044 /nfs/dbraw/zinc/74/70/44/432747044.db2.gz CEBQXQCDYRCGQA-AWEZNQCLSA-N 0 0 300.406 3.009 10 70 DGIERN CC(C)[C@H](O)Cc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000161014484 432755247 /nfs/dbraw/zinc/75/52/47/432755247.db2.gz MPJWLPTYVWCGLO-MRXNPFEDSA-N 0 0 315.417 3.286 10 70 DGIERN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000161070472 432757566 /nfs/dbraw/zinc/75/75/66/432757566.db2.gz WXKQSENUOYOGIE-GFCCVEGCSA-N 0 0 316.401 3.245 10 70 DGIERN CCC(CC)NC(=O)N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000161145713 432760984 /nfs/dbraw/zinc/76/09/84/432760984.db2.gz AWSIYNYDGOMTAD-GFCCVEGCSA-N 0 0 323.403 3.091 10 70 DGIERN C[C@H](Oc1cccc(CO)c1)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000161142449 432761917 /nfs/dbraw/zinc/76/19/17/432761917.db2.gz BOJYNUQOYJPQRD-GJZGRUSLSA-N 0 0 313.397 3.166 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CC[C@@H]2CC[C@@H](C)O2)n1 ZINC000161151725 432763773 /nfs/dbraw/zinc/76/37/73/432763773.db2.gz IBHRDWHSSFGWII-CABCVRRESA-N 0 0 313.401 3.467 10 70 DGIERN CCc1ncc(NC(=O)N2CC=C(c3ccccc3)CC2)cn1 ZINC000161179363 432764386 /nfs/dbraw/zinc/76/43/86/432764386.db2.gz NCGXPHOFFCRMRY-UHFFFAOYSA-N 0 0 308.385 3.360 10 70 DGIERN C[C@H](C(=O)NCc1cccc(-c2ccccn2)c1)C1CCOCC1 ZINC000161198437 432765283 /nfs/dbraw/zinc/76/52/83/432765283.db2.gz WOOFODUXSLDZRR-HNNXBMFYSA-N 0 0 324.424 3.428 10 70 DGIERN Cc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1F ZINC000161266724 432770177 /nfs/dbraw/zinc/77/01/77/432770177.db2.gz RXJGXFDHVOPDKB-CQSZACIVSA-N 0 0 305.374 3.409 10 70 DGIERN CCC[C@H](NC(=O)c1ccc(COC)cc1)C(=O)OC(C)(C)C ZINC000161295005 432772031 /nfs/dbraw/zinc/77/20/31/432772031.db2.gz MLEHZLBWQGHHAN-HNNXBMFYSA-N 0 0 321.417 3.073 10 70 DGIERN Cc1nc(CC(=O)N(C[C@@H]2CCCO2)C2CCCC2)c(C)s1 ZINC000161492452 432781473 /nfs/dbraw/zinc/78/14/73/432781473.db2.gz VFXJECQOASBKHO-HNNXBMFYSA-N 0 0 322.474 3.253 10 70 DGIERN C[C@H](Oc1cccc(CO)c1)C(=O)Nc1cccc(Cl)c1 ZINC000160710897 432737039 /nfs/dbraw/zinc/73/70/39/432737039.db2.gz GCCLVRINBFVKFG-NSHDSACASA-N 0 0 305.761 3.238 10 70 DGIERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccn(C)c2=O)o1 ZINC000160760141 432738973 /nfs/dbraw/zinc/73/89/73/432738973.db2.gz HZRMAKQGUDYRRY-CQSZACIVSA-N 0 0 315.373 3.046 10 70 DGIERN Cc1nnc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)s1 ZINC000160801538 432742953 /nfs/dbraw/zinc/74/29/53/432742953.db2.gz OHDKAYCTDXFJQI-MRXNPFEDSA-N 0 0 302.447 3.313 10 70 DGIERN C[C@H](CSCCOc1cccc(Cl)c1)CS(C)(=O)=O ZINC000159638211 292797017 /nfs/dbraw/zinc/79/70/17/292797017.db2.gz NALSKXAFJMWJBQ-LLVKDONJSA-N 0 0 322.879 3.133 10 70 DGIERN C[C@H](CCc1ccccc1)SC[C@H](C)CS(C)(=O)=O ZINC000159732110 292799618 /nfs/dbraw/zinc/79/96/18/292799618.db2.gz FJHZUHQUOFZEPN-UONOGXRCSA-N 0 0 300.489 3.422 10 70 DGIERN CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nccs1 ZINC000159933377 292803623 /nfs/dbraw/zinc/80/36/23/292803623.db2.gz URJUMQOKWGFRJP-LLVKDONJSA-N 0 0 316.835 3.226 10 70 DGIERN COc1ccc([C@@H](C)NC(=O)[C@H](C)C2CCOCC2)cc1F ZINC000160175957 292809559 /nfs/dbraw/zinc/80/95/59/292809559.db2.gz GZSCKHBQJGGETM-VXGBXAGGSA-N 0 0 309.381 3.074 10 70 DGIERN CC[C@H](N[C@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093378 292828227 /nfs/dbraw/zinc/82/82/27/292828227.db2.gz KYXJDKQGCAWBFP-RISCZKNCSA-N 0 0 321.421 3.028 10 70 DGIERN CCC(CC)n1ncc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1C ZINC000160119965 521645618 /nfs/dbraw/zinc/64/56/18/521645618.db2.gz AWWXBUBVOKRRLP-DLBZAZTESA-N 0 0 319.449 3.336 10 70 DGIERN COCCN(CC(F)F)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160378335 523686677 /nfs/dbraw/zinc/68/66/77/523686677.db2.gz FLPQRUVSBDVSML-UHFFFAOYSA-N 0 0 310.344 3.138 10 70 DGIERN C[C@H](CO[C@H]1CCOC1)Nc1ccnc2c(F)cc(F)cc12 ZINC000159914714 524588603 /nfs/dbraw/zinc/58/86/03/524588603.db2.gz UNIPXHOOOQQVAT-PWSUYJOCSA-N 0 0 308.328 3.119 10 70 DGIERN C[C@H](Cc1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159963763 524724713 /nfs/dbraw/zinc/72/47/13/524724713.db2.gz APVQBJUOSJWFEX-WBVHZDCISA-N 0 0 301.430 3.473 10 70 DGIERN COc1cccc(CC(=O)Nc2ccccc2-n2ccc(C)n2)c1 ZINC000161314758 525876512 /nfs/dbraw/zinc/87/65/12/525876512.db2.gz PXBQWMCFBJOUSE-UHFFFAOYSA-N 0 0 321.380 3.371 10 70 DGIERN CC(=O)CCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160296632 526415227 /nfs/dbraw/zinc/41/52/27/526415227.db2.gz CVWCZAIHNDKPMK-BXUZGUMPSA-N 0 0 309.356 3.332 10 70 DGIERN CCCCc1nc(CN(CCc2nccs2)C(C)C)no1 ZINC000159912206 529037998 /nfs/dbraw/zinc/03/79/98/529037998.db2.gz ARHUCPQCHQAOKD-UHFFFAOYSA-N 0 0 308.451 3.322 10 70 DGIERN CC[C@H]1CN(C(=O)Nc2ccc3oc(C)nc3c2)CCS1 ZINC000159462436 529276904 /nfs/dbraw/zinc/27/69/04/529276904.db2.gz JWONATFDZZVSMZ-LBPRGKRZSA-N 0 0 305.403 3.496 10 70 DGIERN CCC(C)(CC)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159382663 546053929 /nfs/dbraw/zinc/05/39/29/546053929.db2.gz UENZOYOTQKRQKS-ZDUSSCGKSA-N 0 0 300.406 3.271 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1F ZINC000159900618 546057435 /nfs/dbraw/zinc/05/74/35/546057435.db2.gz DPDYIPRHGARNFF-UPJWGTAASA-N 0 0 308.397 3.450 10 70 DGIERN COc1c(CNCc2ccc(Cl)c(Cl)c2)c(C)nn1C ZINC000160199726 546058855 /nfs/dbraw/zinc/05/88/55/546058855.db2.gz FMMANMZSDQTXDP-UHFFFAOYSA-N 0 0 314.216 3.334 10 70 DGIERN CCc1cc(C)c(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)o1 ZINC000160243412 546058874 /nfs/dbraw/zinc/05/88/74/546058874.db2.gz SHEXPQLFEKFKFJ-LBPRGKRZSA-N 0 0 312.369 3.385 10 70 DGIERN CC(=O)N(C)c1ccccc1NC(=O)C[C@H](C)c1ccncc1 ZINC000160690736 546061396 /nfs/dbraw/zinc/06/13/96/546061396.db2.gz HUSPGEZPXGGFLZ-ZDUSSCGKSA-N 0 0 311.385 3.197 10 70 DGIERN C[C@H](OC(=O)c1csc(I)c1)C1CC1 ZINC000216998735 620890325 /nfs/dbraw/zinc/89/03/25/620890325.db2.gz REVJUWHRJUTBOA-LURJTMIESA-N 0 0 322.167 3.308 10 70 DGIERN CC[C@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1nccs1 ZINC000159786929 529518092 /nfs/dbraw/zinc/51/80/92/529518092.db2.gz NMHNXPAKQPDOLY-GWCFXTLKSA-N 0 0 305.403 3.360 10 70 DGIERN CN(C)c1cccc(CN(C)Cc2nc(-c3ccoc3)no2)c1 ZINC000159810343 529789047 /nfs/dbraw/zinc/78/90/47/529789047.db2.gz JOEUXQGXZUREAB-UHFFFAOYSA-N 0 0 312.373 3.028 10 70 DGIERN CC1=C(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CCCO1 ZINC000159683477 186135098 /nfs/dbraw/zinc/13/50/98/186135098.db2.gz APSCDPNFTLIXPB-AWEZNQCLSA-N 0 0 313.319 3.361 10 70 DGIERN COc1ccc(OC(C)(C)C)c([SiH](C)C)c1Br ZINC000216128256 201483566 /nfs/dbraw/zinc/48/35/66/201483566.db2.gz DRDNQNSABQXKJD-UHFFFAOYSA-N 0 0 317.299 3.329 10 70 DGIERN Cc1[nH]nc2nc(C(F)(F)Cl)nc(C(F)(F)Cl)c12 ZINC000217013670 201507283 /nfs/dbraw/zinc/50/72/83/201507283.db2.gz OLVXHQHAEGRISA-UHFFFAOYSA-N 0 0 303.046 3.238 10 70 DGIERN c1cc(-c2nc(CN3CCCC[C@H]3c3cn[nH]c3)no2)cs1 ZINC000160883135 197447041 /nfs/dbraw/zinc/44/70/41/197447041.db2.gz IHSWHXWQDMBXNL-ZDUSSCGKSA-N 0 0 315.402 3.248 10 70 DGIERN C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000160288032 197398516 /nfs/dbraw/zinc/39/85/16/197398516.db2.gz SARJDFDPHDNGJY-GUYCJALGSA-N 0 0 315.392 3.481 10 70 DGIERN CCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)s1 ZINC000160190408 197392095 /nfs/dbraw/zinc/39/20/95/197392095.db2.gz QVCHFTJACRZSKS-JTQLQIEISA-N 0 0 311.428 3.056 10 70 DGIERN CCN(C(=O)Cc1c(Cl)cccc1OC)c1ccncc1 ZINC000159949360 197376342 /nfs/dbraw/zinc/37/63/42/197376342.db2.gz DSMQIZKZEUILPF-UHFFFAOYSA-N 0 0 304.777 3.339 10 70 DGIERN CC1(C)CCC(=CC(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000159790412 197364337 /nfs/dbraw/zinc/36/43/37/197364337.db2.gz VLAIUGWYXKMJCI-UHFFFAOYSA-N 0 0 314.385 3.483 10 70 DGIERN O=C(Oc1ccc(F)cc1Br)[C@@H]1CCCCO1 ZINC000159760921 197363005 /nfs/dbraw/zinc/36/30/05/197363005.db2.gz HRAUKRLMACZLMW-NSHDSACASA-N 0 0 303.127 3.063 10 70 DGIERN NC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000159484542 197357299 /nfs/dbraw/zinc/35/72/99/197357299.db2.gz PKJZCOAMJYOFNY-HUUCEWRRSA-N 0 0 301.390 3.332 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2cnns2)cc1 ZINC000159538982 197360908 /nfs/dbraw/zinc/36/09/08/197360908.db2.gz ZTNOBJFYDVAVFF-LLVKDONJSA-N 0 0 305.403 3.064 10 70 DGIERN CC(C)COc1ccc([C@H](C)NC(=O)C2CCOCC2)cc1 ZINC000159523925 197360910 /nfs/dbraw/zinc/36/09/10/197360910.db2.gz MFTZJYQEWSJNQO-AWEZNQCLSA-N 0 0 305.418 3.325 10 70 DGIERN Cc1c(CCC(=O)N[C@@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000159410439 197351472 /nfs/dbraw/zinc/35/14/72/197351472.db2.gz RWHONINIUOIWRJ-MRXNPFEDSA-N 0 0 317.820 3.118 10 70 DGIERN Cc1cnc(CCN(C)C(=O)N[C@H](C)c2cccc(O)c2)s1 ZINC000161196772 197473397 /nfs/dbraw/zinc/47/33/97/197473397.db2.gz FDRQIIYQWDIEQC-GFCCVEGCSA-N 0 0 319.430 3.102 10 70 DGIERN CC(C)OC(=O)CCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000160209400 400733455 /nfs/dbraw/zinc/73/34/55/400733455.db2.gz LUJRNLKFBNLBJK-GOSISDBHSA-N 0 0 322.449 3.250 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)Nc1nc(C)c(C)s1)c1nccs1 ZINC000161122112 400738648 /nfs/dbraw/zinc/73/86/48/400738648.db2.gz SSLOANINMQVVMX-MWLCHTKSSA-N 0 0 324.475 3.284 10 70 DGIERN COCCC1(C(=O)Nc2cc(C3CC3)nc(C)n2)CCCC1 ZINC000160274500 228245470 /nfs/dbraw/zinc/24/54/70/228245470.db2.gz OHZXLEOXDWIJKX-UHFFFAOYSA-N 0 0 303.406 3.198 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)c2ccccc21 ZINC000159774275 287785149 /nfs/dbraw/zinc/78/51/49/287785149.db2.gz QHLXJGUAOBGQRO-YGRLFVJLSA-N 0 0 314.410 3.215 10 70 DGIERN CCC[C@](C)(O)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000159491995 276052197 /nfs/dbraw/zinc/05/21/97/276052197.db2.gz IJBYKPOSDRKJFX-QAPCUYQASA-N 0 0 317.429 3.490 10 70 DGIERN CC1(C)C[C@@H](NC(=O)C2(O)CCCCC2)c2ccccc2O1 ZINC000159819516 278361240 /nfs/dbraw/zinc/36/12/40/278361240.db2.gz TTWNEQYRCGGCPT-CQSZACIVSA-N 0 0 303.402 3.100 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2n[nH]c3ccccc32)n1 ZINC000161314083 278976163 /nfs/dbraw/zinc/97/61/63/278976163.db2.gz KYVHHUWPQZEWMC-UHFFFAOYSA-N 0 0 317.352 3.309 10 70 DGIERN CC(C)(C)c1nsc(NC[C@@H]2CC(=O)Nc3ccccc32)n1 ZINC000159837400 432697983 /nfs/dbraw/zinc/69/79/83/432697983.db2.gz YUMNFMMZSPMKBM-JTQLQIEISA-N 0 0 316.430 3.374 10 70 DGIERN Fc1cc(F)c2nccc(N3CCC(c4nnc[nH]4)CC3)c2c1 ZINC000159891819 432699770 /nfs/dbraw/zinc/69/97/70/432699770.db2.gz RSEXTXXSEGTBEV-UHFFFAOYSA-N 0 0 315.327 3.015 10 70 DGIERN CCc1onc(C)c1C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000159866863 432699888 /nfs/dbraw/zinc/69/98/88/432699888.db2.gz CFZYUZNTSWDHCB-UHFFFAOYSA-N 0 0 308.765 3.484 10 70 DGIERN CC1(C)C[C@H](NC(=O)C(=O)Nc2ccccc2)c2ccccc2O1 ZINC000159987973 432702964 /nfs/dbraw/zinc/70/29/64/432702964.db2.gz NRCWNKIUCQWKMO-HNNXBMFYSA-N 0 0 324.380 3.044 10 70 DGIERN CC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nccs1 ZINC000159946000 432703070 /nfs/dbraw/zinc/70/30/70/432703070.db2.gz PSNWXVGJFLOIJG-LBPRGKRZSA-N 0 0 310.444 3.190 10 70 DGIERN CCc1oc(C(=O)N[C@@H](CC(=O)OC)c2ccccc2)cc1C ZINC000160062032 432705056 /nfs/dbraw/zinc/70/50/56/432705056.db2.gz MQPJGGAGIFLHQA-AWEZNQCLSA-N 0 0 315.369 3.185 10 70 DGIERN C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000160288156 432713224 /nfs/dbraw/zinc/71/32/24/432713224.db2.gz SARJDFDPHDNGJY-DYVFJYSZSA-N 0 0 315.392 3.481 10 70 DGIERN C[C@@H](CO)[C@@H](C)NC(=O)CSc1cc(Cl)ccc1Cl ZINC000160286889 432713852 /nfs/dbraw/zinc/71/38/52/432713852.db2.gz FAXIPTMNHFEVIE-DTWKUNHWSA-N 0 0 322.257 3.219 10 70 DGIERN Nc1ccc2c(c1)CC[C@H]2Nc1nnc(C(F)(F)F)s1 ZINC000160385938 432718151 /nfs/dbraw/zinc/71/81/51/432718151.db2.gz ADSCKURUCVKCEC-SECBINFHSA-N 0 0 300.309 3.239 10 70 DGIERN C[C@@H](OCCCNC(=O)[C@H](C)C1CCOCC1)c1ccccc1 ZINC000160409909 432718732 /nfs/dbraw/zinc/71/87/32/432718732.db2.gz COVCSXBDRXIVQM-HZPDHXFCSA-N 0 0 319.445 3.333 10 70 DGIERN Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(-c2cccnc2)n1 ZINC000160463768 432723025 /nfs/dbraw/zinc/72/30/25/432723025.db2.gz DUQANFYVBYYVLO-HOTGVXAUSA-N 0 0 310.401 3.217 10 70 DGIERN C[NH+](C)[C@@H]1CCN(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000160514251 432724205 /nfs/dbraw/zinc/72/42/05/432724205.db2.gz UOMFLSRDZBYWHN-OAHLLOKOSA-N 0 0 322.408 3.291 10 70 DGIERN COc1cccc(F)c1[C@H](C)Nc1ccc(S(C)(=O)=O)cc1 ZINC000159410077 432680986 /nfs/dbraw/zinc/68/09/86/432680986.db2.gz KMMVOWWHRBZXGI-NSHDSACASA-N 0 0 323.389 3.411 10 70 DGIERN CCCC(C)(C)NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159377983 432681172 /nfs/dbraw/zinc/68/11/72/432681172.db2.gz CODAWGGPBKBFNH-GFCCVEGCSA-N 0 0 324.856 3.192 10 70 DGIERN O=C(NCCc1cscn1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000159458846 432683659 /nfs/dbraw/zinc/68/36/59/432683659.db2.gz HEMAVJXTMJORCL-INIZCTEOSA-N 0 0 305.447 3.218 10 70 DGIERN CSC[C@@H](C)C(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000159564500 432686679 /nfs/dbraw/zinc/68/66/79/432686679.db2.gz DCGGKCFEIGEARO-CHWSQXEVSA-N 0 0 303.431 3.049 10 70 DGIERN COCCCOc1cccc(CNC(=O)N[C@H](C)C(C)(C)C)c1 ZINC000159585669 432688443 /nfs/dbraw/zinc/68/84/43/432688443.db2.gz DKEGOGJADKFXHY-CQSZACIVSA-N 0 0 322.449 3.336 10 70 DGIERN CCCCCNC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000160871364 432747476 /nfs/dbraw/zinc/74/74/76/432747476.db2.gz OYXNGASTTKYKPQ-CQSZACIVSA-N 0 0 320.368 3.096 10 70 DGIERN CC(C)S(=O)(=O)CCCN(Cc1ccco1)C1CCCC1 ZINC000160904268 432749339 /nfs/dbraw/zinc/74/93/39/432749339.db2.gz TXSFVWISRVLYQR-UHFFFAOYSA-N 0 0 313.463 3.238 10 70 DGIERN Cn1c(CSc2ncc3ccccn32)nnc1-c1ccccc1 ZINC000160990024 432752543 /nfs/dbraw/zinc/75/25/43/432752543.db2.gz SRUCCJZWVRRWBM-UHFFFAOYSA-N 0 0 321.409 3.422 10 70 DGIERN COc1cccc(Cl)c1CC(=O)NCCCCOC(C)C ZINC000160998761 432753315 /nfs/dbraw/zinc/75/33/15/432753315.db2.gz DGJIVUPWEAZKMK-UHFFFAOYSA-N 0 0 313.825 3.213 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098170 432760096 /nfs/dbraw/zinc/76/00/96/432760096.db2.gz YXGQTNJOGPMHMW-ZFWWWQNUSA-N 0 0 317.458 3.231 10 70 DGIERN COc1ccc([C@@H](C)NC(=O)N[C@H]2CCOC(C)(C)C2)cc1F ZINC000161145197 432760820 /nfs/dbraw/zinc/76/08/20/432760820.db2.gz COLNFNYTAHFLPE-YPMHNXCESA-N 0 0 324.396 3.152 10 70 DGIERN CCC(CC)NC(=O)N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000161145826 432760952 /nfs/dbraw/zinc/76/09/52/432760952.db2.gz AWSIYNYDGOMTAD-LBPRGKRZSA-N 0 0 323.403 3.091 10 70 DGIERN Cc1cccc(-c2cncc(C(=O)N3CCC([C@H](C)O)CC3)c2)c1 ZINC000161170469 432762690 /nfs/dbraw/zinc/76/26/90/432762690.db2.gz ZWFROFDOWNLCKM-HNNXBMFYSA-N 0 0 324.424 3.290 10 70 DGIERN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)NC1(CO)CC1 ZINC000161159668 432763151 /nfs/dbraw/zinc/76/31/51/432763151.db2.gz NHQZHXBXJUYLCJ-UHFFFAOYSA-N 0 0 316.332 3.264 10 70 DGIERN Cc1ccc(C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)c(C)n1 ZINC000161203214 432765973 /nfs/dbraw/zinc/76/59/73/432765973.db2.gz GNSHVAJJLKRTQI-GFCCVEGCSA-N 0 0 314.360 3.229 10 70 DGIERN COCc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000161229312 432768840 /nfs/dbraw/zinc/76/88/40/432768840.db2.gz SCYBORNBYNHQAJ-OAHLLOKOSA-N 0 0 317.410 3.108 10 70 DGIERN CN1CCc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282696 432771706 /nfs/dbraw/zinc/77/17/06/432771706.db2.gz XSSFMOJIZVECSX-OLZOCXBDSA-N 0 0 319.474 3.286 10 70 DGIERN CCC[C@H](NC(=O)c1ccnc(SC)c1)C(=O)OC(C)(C)C ZINC000161312093 432773164 /nfs/dbraw/zinc/77/31/64/432773164.db2.gz FUWZMLZNZZJSCZ-LBPRGKRZSA-N 0 0 324.446 3.044 10 70 DGIERN CC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1nccs1 ZINC000161427601 432777918 /nfs/dbraw/zinc/77/79/18/432777918.db2.gz QLALMCAWSDKLHM-LLVKDONJSA-N 0 0 324.475 3.243 10 70 DGIERN CCC[C@H](NC(=O)c1ccc(SC)o1)C(=O)OC(C)(C)C ZINC000161472438 432780776 /nfs/dbraw/zinc/78/07/76/432780776.db2.gz PARLAKMKBHORAX-JTQLQIEISA-N 0 0 313.419 3.242 10 70 DGIERN O=C(CSc1ccccc1)N1CCO[C@H](c2cccs2)C1 ZINC000161477087 432780999 /nfs/dbraw/zinc/78/09/99/432780999.db2.gz FQEANPFMLJTPRT-AWEZNQCLSA-N 0 0 319.451 3.440 10 70 DGIERN Cc1ncc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000160608048 432730106 /nfs/dbraw/zinc/73/01/06/432730106.db2.gz OMGVKXWTHNUDBX-CQSZACIVSA-N 0 0 317.462 3.107 10 70 DGIERN C[C@@H](NC(=O)N1CCC[C@@H](Nc2ccccc2)C1)c1ccncc1 ZINC000160718212 432737295 /nfs/dbraw/zinc/73/72/95/432737295.db2.gz RTRBPMUBWHTEPA-CRAIPNDOSA-N 0 0 324.428 3.429 10 70 DGIERN CCCCCNC(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000160737941 432738350 /nfs/dbraw/zinc/73/83/50/432738350.db2.gz JQLREUUSSOBYMY-MRXNPFEDSA-N 0 0 308.397 3.407 10 70 DGIERN Clc1cccnc1N1CC[C@@H](Nc2ccnc(C3CC3)n2)C1 ZINC000160757206 432739455 /nfs/dbraw/zinc/73/94/55/432739455.db2.gz CHYWPTSCFSBUDP-GFCCVEGCSA-N 0 0 315.808 3.093 10 70 DGIERN CC[C@H](CSC)N(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160838703 432744672 /nfs/dbraw/zinc/74/46/72/432744672.db2.gz DXZNQCOYSCKWBZ-LLVKDONJSA-N 0 0 315.866 3.491 10 70 DGIERN CC[C@@H](CSC)NC(=O)Cc1c(Cl)cccc1OC ZINC000160842120 432746422 /nfs/dbraw/zinc/74/64/22/432746422.db2.gz WTASOOSLGDURRK-JTQLQIEISA-N 0 0 301.839 3.149 10 70 DGIERN CCC[C@@H](NC(=O)[C@@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000161504583 432783321 /nfs/dbraw/zinc/78/33/21/432783321.db2.gz ZGWLGHXBPGYJGV-CABCVRRESA-N 0 0 321.417 3.001 10 70 DGIERN C[C@@H](C(=O)NCCCn1ccc2ccccc21)C1CCOCC1 ZINC000159450679 292793090 /nfs/dbraw/zinc/79/30/90/292793090.db2.gz FUAFOJYVQPXVOX-OAHLLOKOSA-N 0 0 314.429 3.210 10 70 DGIERN NC(=O)[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1ccc(F)cc1 ZINC000159536410 292794439 /nfs/dbraw/zinc/79/44/39/292794439.db2.gz CEBQAFGFOWBQPH-IRXDYDNUSA-N 0 0 316.351 3.158 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)N1CCc2ccccc21)c1nccs1 ZINC000161157920 292829435 /nfs/dbraw/zinc/82/94/35/292829435.db2.gz DGAMSGXGEVPFQM-TZMCWYRMSA-N 0 0 315.442 3.162 10 70 DGIERN CC[C@H](N[C@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174801 292830279 /nfs/dbraw/zinc/83/02/79/292830279.db2.gz WOWSHQQDDJQGGW-HIFRSBDPSA-N 0 0 317.458 3.197 10 70 DGIERN COc1ccc(N(C)C(=O)[C@]2(C)CCCc3ccccc32)cn1 ZINC000161279271 292832817 /nfs/dbraw/zinc/83/28/17/292832817.db2.gz PWGPWOJXFVSFIJ-LJQANCHMSA-N 0 0 310.397 3.347 10 70 DGIERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159703588 534116126 /nfs/dbraw/zinc/11/61/26/534116126.db2.gz NFJGRDRWDHKISH-UGSOOPFHSA-N 0 0 324.428 3.232 10 70 DGIERN Cc1nc(NC(=O)c2ccnc3ccccc32)cc(C2CC2)n1 ZINC000160233192 534484926 /nfs/dbraw/zinc/48/49/26/534484926.db2.gz RGYJGKVPBZBXCO-UHFFFAOYSA-N 0 0 304.353 3.463 10 70 DGIERN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC000159787547 521114784 /nfs/dbraw/zinc/11/47/84/521114784.db2.gz GATMZYQKUHKBKA-TZMCWYRMSA-N 0 0 300.406 3.057 10 70 DGIERN CC[C@H]1CCCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000160318757 523082727 /nfs/dbraw/zinc/08/27/27/523082727.db2.gz LHXIYBFUTMVAEX-ZDUSSCGKSA-N 0 0 318.392 3.215 10 70 DGIERN Cc1cnn(CCNC(=O)NC(C)(C)c2cccc(Cl)c2)c1 ZINC000160287711 526262706 /nfs/dbraw/zinc/26/27/06/526262706.db2.gz FUQGDLZBXVDATQ-UHFFFAOYSA-N 0 0 320.824 3.079 10 70 DGIERN CCSc1ccc(C(=O)Nc2cc(C3CC3)nc(C)n2)cn1 ZINC000159886993 529243394 /nfs/dbraw/zinc/24/33/94/529243394.db2.gz ADWVKGAVVGYHEW-UHFFFAOYSA-N 0 0 314.414 3.422 10 70 DGIERN Cc1nc(NC(=O)c2csc(C3CC3)n2)cc(C2CC2)n1 ZINC000160259676 546059356 /nfs/dbraw/zinc/05/93/56/546059356.db2.gz KUCQJOXOAGKZHF-UHFFFAOYSA-N 0 0 300.387 3.249 10 70 DGIERN Cc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000159533515 186125489 /nfs/dbraw/zinc/12/54/89/186125489.db2.gz ZNYPRPKCAJAKMC-DZGCQCFKSA-N 0 0 315.369 3.022 10 70 DGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2csnn2)cc1 ZINC000159533129 186125754 /nfs/dbraw/zinc/12/57/54/186125754.db2.gz FHNAREITBVREBQ-NSHDSACASA-N 0 0 305.403 3.064 10 70 DGIERN Cc1cc(CN(C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743117 186139479 /nfs/dbraw/zinc/13/94/79/186139479.db2.gz LYYDARZHEUDAAV-HNNXBMFYSA-N 0 0 319.792 3.261 10 70 DGIERN Cc1ccc(F)c(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000161281895 197481010 /nfs/dbraw/zinc/48/10/10/197481010.db2.gz NBJSBAKLHFQLQP-AWEZNQCLSA-N 0 0 305.374 3.409 10 70 DGIERN COc1cccc(Cl)c1CC(=O)NC[C@H](OC)C(C)(C)C ZINC000160452628 197412411 /nfs/dbraw/zinc/41/24/11/197412411.db2.gz FBPHFAHIQXRZBF-AWEZNQCLSA-N 0 0 313.825 3.068 10 70 DGIERN CN(C)C(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000160226462 197393587 /nfs/dbraw/zinc/39/35/87/197393587.db2.gz CWSMPWKEZDKFLJ-UHFFFAOYSA-N 0 0 301.390 3.010 10 70 DGIERN CCCc1ccccc1NC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160069713 197383735 /nfs/dbraw/zinc/38/37/35/197383735.db2.gz KRBUAYMETMXWAQ-UHFFFAOYSA-N 0 0 323.439 3.356 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)COCC2CC2)cc1 ZINC000159487493 197357498 /nfs/dbraw/zinc/35/74/98/197357498.db2.gz AMWZSFDCCDPYGZ-CQSZACIVSA-N 0 0 305.418 3.325 10 70 DGIERN Cc1ccccc1-c1csc(NC(=O)C[C@H](O)C(C)C)n1 ZINC000159503141 197358924 /nfs/dbraw/zinc/35/89/24/197358924.db2.gz ZBBATWFUYXDQMR-AWEZNQCLSA-N 0 0 304.415 3.464 10 70 DGIERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(Cl)c1F ZINC000159509708 197358957 /nfs/dbraw/zinc/35/89/57/197358957.db2.gz MVUSJHVINCGMED-VIFPVBQESA-N 0 0 315.772 3.281 10 70 DGIERN O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000160509225 400735444 /nfs/dbraw/zinc/73/54/44/400735444.db2.gz UEMONAIGCPXRDO-FJIDUMEYSA-N 0 0 316.445 3.001 10 70 DGIERN CC[C@H]1CCCCCN1C(=O)NC[C@H](c1ccco1)N(C)C ZINC000160904219 400737968 /nfs/dbraw/zinc/73/79/68/400737968.db2.gz GBOFGPDOIMKAHU-LSDHHAIUSA-N 0 0 307.438 3.247 10 70 DGIERN O=C(NC[C@H]1C[C@@H]1c1cncc(F)c1)OCc1ccccc1 ZINC000218281129 400950630 /nfs/dbraw/zinc/95/06/30/400950630.db2.gz DHKFEWFGYLMEKW-GDBMZVCRSA-N 0 0 300.333 3.251 10 70 DGIERN CCOC(=O)c1ccc(C2=CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000217963251 400951123 /nfs/dbraw/zinc/95/11/23/400951123.db2.gz PXAICNCWFLMNFS-UHFFFAOYSA-N 0 0 317.385 3.497 10 70 DGIERN Cc1nc(NC(=O)c2ncccc2OC(C)C)cc(C2CC2)n1 ZINC000160023980 228244655 /nfs/dbraw/zinc/24/46/55/228244655.db2.gz FRVLKHCWPJGONK-UHFFFAOYSA-N 0 0 312.373 3.097 10 70 DGIERN C[C@H]1CN(C(=O)NCC2(Cc3ccccc3)CC2)CCS1 ZINC000160740747 228247955 /nfs/dbraw/zinc/24/79/55/228247955.db2.gz ZHUQUMCPFZXWGD-AWEZNQCLSA-N 0 0 304.459 3.156 10 70 DGIERN Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(-c2ccncc2)n1 ZINC000161432978 228252567 /nfs/dbraw/zinc/25/25/67/228252567.db2.gz DJWQTQPTYNUGOJ-CQSZACIVSA-N 0 0 300.406 3.056 10 70 DGIERN Cc1cc(-c2nnc(CN3CCO[C@@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000161457245 228252744 /nfs/dbraw/zinc/25/27/44/228252744.db2.gz FYFWOSYRIMFABY-LSDHHAIUSA-N 0 0 317.389 3.090 10 70 DGIERN CC1(C)C[C@H](NC(=O)CC2(O)CCCCC2)c2ccccc2O1 ZINC000159935786 275864458 /nfs/dbraw/zinc/86/44/58/275864458.db2.gz AUYQWYNTDPVKMW-HNNXBMFYSA-N 0 0 317.429 3.490 10 70 DGIERN Cc1ccc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)c(C)n1 ZINC000159669732 432692697 /nfs/dbraw/zinc/69/26/97/432692697.db2.gz IPESSJVHTGNBTB-AWEZNQCLSA-N 0 0 320.396 3.375 10 70 DGIERN Cc1cccc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159730510 432694330 /nfs/dbraw/zinc/69/43/30/432694330.db2.gz MNFHOYVVYQCIAH-GOSISDBHSA-N 0 0 309.413 3.474 10 70 DGIERN Cc1ccc(CC(=O)N2CC=C(c3ccccc3F)CC2)cn1 ZINC000159749819 432695353 /nfs/dbraw/zinc/69/53/53/432695353.db2.gz KMPZDZUOEUHJQS-UHFFFAOYSA-N 0 0 310.372 3.388 10 70 DGIERN C[C@@H](CSCCc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000159822878 432697127 /nfs/dbraw/zinc/69/71/27/432697127.db2.gz MNHCBKDEICGBRB-JTQLQIEISA-N 0 0 324.870 3.436 10 70 DGIERN C[C@H](CSCc1nc(C(C)(C)C)cs1)CS(C)(=O)=O ZINC000159833695 432697531 /nfs/dbraw/zinc/69/75/31/432697531.db2.gz MMBHMUIMBZPFRZ-SNVBAGLBSA-N 0 0 321.533 3.355 10 70 DGIERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)O1 ZINC000159872184 432699791 /nfs/dbraw/zinc/69/97/91/432699791.db2.gz VJLPHPHTTFOMOU-UGSOOPFHSA-N 0 0 311.381 3.489 10 70 DGIERN CCOC(=O)C[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000160092564 432706540 /nfs/dbraw/zinc/70/65/40/432706540.db2.gz CLMXLMMEXYKEMC-NSHDSACASA-N 0 0 319.332 3.157 10 70 DGIERN CC[C@H](NC(=O)NCCc1ccc(C)cc1)c1nccs1 ZINC000160182607 432710269 /nfs/dbraw/zinc/71/02/69/432710269.db2.gz MLNLWWNSMUITEO-AWEZNQCLSA-N 0 0 303.431 3.445 10 70 DGIERN CCOc1cccnc1C(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000160197065 432710849 /nfs/dbraw/zinc/71/08/49/432710849.db2.gz BGODLOHRQUMENJ-UHFFFAOYSA-N 0 0 320.776 3.419 10 70 DGIERN CCN(C(=O)c1cnc2c(c1)ncn2C)[C@@H]1CCCC[C@@H]1C ZINC000160339934 432715281 /nfs/dbraw/zinc/71/52/81/432715281.db2.gz WMILXTCVITWYJE-SWLSCSKDSA-N 0 0 300.406 3.009 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N(C)Cc1nccs1 ZINC000160480801 432722423 /nfs/dbraw/zinc/72/24/23/432722423.db2.gz XPBNMAHIUXBLGO-UHFFFAOYSA-N 0 0 310.806 3.006 10 70 DGIERN CC[C@H](C)CN(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159382888 432682262 /nfs/dbraw/zinc/68/22/62/432682262.db2.gz WGLTVNKKQWGAQX-QWHCGFSZSA-N 0 0 324.856 3.001 10 70 DGIERN C[C@]1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCc2ccccc21 ZINC000159415758 432683383 /nfs/dbraw/zinc/68/33/83/432683383.db2.gz UBOAGCDZUMWZEW-IBGZPJMESA-N 0 0 323.396 3.410 10 70 DGIERN COc1ccc(N(C)C(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000159444403 432683708 /nfs/dbraw/zinc/68/37/08/432683708.db2.gz IJEDEGJUKUEQIV-PIGZYNQJSA-N 0 0 315.344 3.362 10 70 DGIERN CC(C)OC(=O)CCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000159466225 432684344 /nfs/dbraw/zinc/68/43/44/432684344.db2.gz YKOQUGPMJZCSNS-INIZCTEOSA-N 0 0 318.417 3.095 10 70 DGIERN CCc1noc(C)c1NC(=O)Nc1ccc(C(=O)OC)c(C)c1 ZINC000159609311 432688638 /nfs/dbraw/zinc/68/86/38/432688638.db2.gz IUTGALHWIRWRKH-UHFFFAOYSA-N 0 0 317.345 3.284 10 70 DGIERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(F)c(Cl)c1 ZINC000160908978 432749565 /nfs/dbraw/zinc/74/95/65/432749565.db2.gz OMFQNSYQYVHVDH-MEBBXXQBSA-N 0 0 314.788 3.097 10 70 DGIERN CCN(C[C@H]1CCCO1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000160955683 432751420 /nfs/dbraw/zinc/75/14/20/432751420.db2.gz YRHAOOUGIVLVBC-APWZRJJASA-N 0 0 301.430 3.308 10 70 DGIERN Cc1noc([C@@H]2COCCN2Cc2cc3ccccc3s2)n1 ZINC000161022769 432755168 /nfs/dbraw/zinc/75/51/68/432755168.db2.gz GJQFUUSXWJYTHQ-AWEZNQCLSA-N 0 0 315.398 3.166 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1C)c1nccs1 ZINC000161140616 432761127 /nfs/dbraw/zinc/76/11/27/432761127.db2.gz JRSFZDLXDLXIRP-DZGCQCFKSA-N 0 0 317.458 3.197 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)NC1CCC(C)CC1)c1nccs1 ZINC000161143505 432761576 /nfs/dbraw/zinc/76/15/76/432761576.db2.gz OPXFZXRWVJISBP-YIOUJQMASA-N 0 0 309.479 3.267 10 70 DGIERN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccon2)C1 ZINC000161138398 432761931 /nfs/dbraw/zinc/76/19/31/432761931.db2.gz WPPVODZEQWLGQI-KGLIPLIRSA-N 0 0 312.291 3.001 10 70 DGIERN C[C@@H](C(=O)NCc1cccc(-c2ccccn2)c1)C1CCOCC1 ZINC000161198556 432764800 /nfs/dbraw/zinc/76/48/00/432764800.db2.gz WOOFODUXSLDZRR-OAHLLOKOSA-N 0 0 324.424 3.428 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CCc2ccccn2)n1 ZINC000161284862 432770954 /nfs/dbraw/zinc/77/09/54/432770954.db2.gz IGSKETUTWAHBRJ-UHFFFAOYSA-N 0 0 306.369 3.147 10 70 DGIERN C[C@H](NC(=O)C1CCC(C)(C)CC1)c1nnc2n1CCCC2 ZINC000161294553 432771533 /nfs/dbraw/zinc/77/15/33/432771533.db2.gz OJUGCKDRMMLXMN-LBPRGKRZSA-N 0 0 304.438 3.008 10 70 DGIERN CCC[C@@H](NC(=O)c1ccc(COC)cc1)C(=O)OC(C)(C)C ZINC000161295123 432772194 /nfs/dbraw/zinc/77/21/94/432772194.db2.gz MLEHZLBWQGHHAN-OAHLLOKOSA-N 0 0 321.417 3.073 10 70 DGIERN Cc1cnn(Cc2cc(-c3nc(-c4cccs4)no3)no2)c1 ZINC000161348267 432775015 /nfs/dbraw/zinc/77/50/15/432775015.db2.gz ORFRZIAFSGRRLV-UHFFFAOYSA-N 0 0 313.342 3.006 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CC2(Cl)Cl)n1 ZINC000161377349 432777006 /nfs/dbraw/zinc/77/70/06/432777006.db2.gz WBYFWJKSYIYTBP-JTQLQIEISA-N 0 0 310.184 3.313 10 70 DGIERN C[C@H](Cc1ccccc1Cl)C(=O)Nc1cnc(N(C)C)nc1 ZINC000161392640 432777101 /nfs/dbraw/zinc/77/71/01/432777101.db2.gz KZFJUJLAPYRVFV-LLVKDONJSA-N 0 0 318.808 3.013 10 70 DGIERN C[C@@H](CSCc1ccccc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000161430683 432778499 /nfs/dbraw/zinc/77/84/99/432778499.db2.gz NUVPWWSGANFNIL-HOCLYGCPSA-N 0 0 307.459 3.193 10 70 DGIERN CC(C)c1nc(CN2CCC(c3ccnn3C)CC2)cs1 ZINC000160530682 432727414 /nfs/dbraw/zinc/72/74/14/432727414.db2.gz DRRBHJBTQDLTEK-UHFFFAOYSA-N 0 0 304.463 3.380 10 70 DGIERN C[C@H](Nc1cc(Cl)nc(C2CC2)n1)c1nnc2n1CCCC2 ZINC000160601263 432729940 /nfs/dbraw/zinc/72/99/40/432729940.db2.gz UVUILEVNMFRQLQ-VIFPVBQESA-N 0 0 318.812 3.108 10 70 DGIERN CCOc1ccccc1C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161483366 432781805 /nfs/dbraw/zinc/78/18/05/432781805.db2.gz RDWQQPUZZWDUFJ-HNNXBMFYSA-N 0 0 317.410 3.361 10 70 DGIERN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)C2CCOCC2)cc1 ZINC000160716345 432737066 /nfs/dbraw/zinc/73/70/66/432737066.db2.gz ZJQLLXGVTCSGTI-RDTXWAMCSA-N 0 0 317.429 3.421 10 70 DGIERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159445837 292793079 /nfs/dbraw/zinc/79/30/79/292793079.db2.gz LJGSJBCCXQHAQG-OAHLLOKOSA-N 0 0 308.466 3.062 10 70 DGIERN O=C(NCCCc1cccc(F)c1)NCc1ccc(O)c(F)c1 ZINC000159523188 292794404 /nfs/dbraw/zinc/79/44/04/292794404.db2.gz DDYMCTDHNGLNOI-UHFFFAOYSA-N 0 0 320.339 3.102 10 70 DGIERN C[C@@H](OCCCNC(=O)[C@@H](C)C1CCOCC1)c1ccccc1 ZINC000160409661 292814243 /nfs/dbraw/zinc/81/42/43/292814243.db2.gz COVCSXBDRXIVQM-JKSUJKDBSA-N 0 0 319.445 3.333 10 70 DGIERN CCCn1c(C)nnc1Cn1c2ccccc2nc1C(F)(F)F ZINC000161213551 292831403 /nfs/dbraw/zinc/83/14/03/292831403.db2.gz VPLFNTZURWEXMH-UHFFFAOYSA-N 0 0 323.322 3.413 10 70 DGIERN CCC[C@@H](NC(=O)c1ccc2cc[nH]c2c1)C(=O)OC(C)(C)C ZINC000161308508 292833458 /nfs/dbraw/zinc/83/34/58/292833458.db2.gz PBTMCFJNSBZACG-CQSZACIVSA-N 0 0 316.401 3.408 10 70 DGIERN CCC[C@@H](NC(=O)c1oc(CC)cc1C)C(=O)OC(C)(C)C ZINC000161359986 292833983 /nfs/dbraw/zinc/83/39/83/292833983.db2.gz YOMKMBKZZGMBKI-CYBMUJFWSA-N 0 0 309.406 3.391 10 70 DGIERN COC(=O)[C@@H](NCc1cc(F)c(F)cc1F)c1ccccc1 ZINC000161037009 534280044 /nfs/dbraw/zinc/28/00/44/534280044.db2.gz IQKFRWCIENILPC-HNNXBMFYSA-N 0 0 309.287 3.108 10 70 DGIERN C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)(C)C ZINC000160511958 525109477 /nfs/dbraw/zinc/10/94/77/525109477.db2.gz QZHXNLXEPIPBMX-NSHDSACASA-N 0 0 301.394 3.038 10 70 DGIERN C[C@](O)(CNc1ccnc2c(F)cc(F)cc12)c1ccco1 ZINC000159650643 525181347 /nfs/dbraw/zinc/18/13/47/525181347.db2.gz JIGXQDJDJFGBDZ-INIZCTEOSA-N 0 0 304.296 3.426 10 70 DGIERN C[C@]1(C(=O)Nc2cccc(NC(N)=O)c2)CCCc2ccccc21 ZINC000159420626 525222439 /nfs/dbraw/zinc/22/24/39/525222439.db2.gz VZNPQUMMHVRNQX-IBGZPJMESA-N 0 0 323.396 3.410 10 70 DGIERN Cc1ccc(OCCCC(=O)N(C)C[C@H]2CCCO2)c(C)c1 ZINC000160875917 525404909 /nfs/dbraw/zinc/40/49/09/525404909.db2.gz NRWJULSUBPYMHT-MRXNPFEDSA-N 0 0 305.418 3.100 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CC[C@H]2CC[C@H](C)O2)n1 ZINC000161151606 525564285 /nfs/dbraw/zinc/56/42/85/525564285.db2.gz IBHRDWHSSFGWII-LSDHHAIUSA-N 0 0 313.401 3.467 10 70 DGIERN C[C@H](C(=O)N1CCC[C@@H](Nc2ccccc2)C1)C1CCOCC1 ZINC000160321252 525970326 /nfs/dbraw/zinc/97/03/26/525970326.db2.gz OBAQRACWQKRKKZ-MAUKXSAKSA-N 0 0 316.445 3.152 10 70 DGIERN Cn1cnc2cc(C(=O)N3CCC[C@@H]3c3cccs3)cnc21 ZINC000160013551 527496795 /nfs/dbraw/zinc/49/67/95/527496795.db2.gz KPCGLAMHAAEZDQ-CYBMUJFWSA-N 0 0 312.398 3.007 10 70 DGIERN CC(C)C[C@H]1CCCCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160588342 528584015 /nfs/dbraw/zinc/58/40/15/528584015.db2.gz OEOYTBLEJMDYJZ-OAHLLOKOSA-N 0 0 314.433 3.399 10 70 DGIERN CCCc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1 ZINC000161291378 528627484 /nfs/dbraw/zinc/62/74/84/528627484.db2.gz FTYZFUZFSZLZAF-UHFFFAOYSA-N 0 0 309.362 3.285 10 70 DGIERN CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000159477618 546053321 /nfs/dbraw/zinc/05/33/21/546053321.db2.gz IAPVWJQFLOPNLA-YNEHKIRRSA-N 0 0 322.371 3.318 10 70 DGIERN Nc1ccc2nc(N3CC[C@]4(O)CCCC[C@@H]4C3)sc2c1 ZINC000160393149 546059806 /nfs/dbraw/zinc/05/98/06/546059806.db2.gz VOXRKPHYBLWMAH-BDJLRTHQSA-N 0 0 303.431 3.010 10 70 DGIERN CCc1cccc(CC(=O)Nc2ccccc2OCCOC)c1 ZINC000161038937 546064436 /nfs/dbraw/zinc/06/44/36/546064436.db2.gz XOCQJWBLHKAQKZ-UHFFFAOYSA-N 0 0 313.397 3.455 10 70 DGIERN O=C(CCCc1ccccn1)N1CCO[C@@H](c2cccs2)C1 ZINC000161339705 546067864 /nfs/dbraw/zinc/06/78/64/546067864.db2.gz QPJBWXTXTFLZPD-OAHLLOKOSA-N 0 0 316.426 3.066 10 70 DGIERN O[C@@H](C[C@@H]1COCCN1Cc1ccccc1Cl)c1ccco1 ZINC000159549988 186126373 /nfs/dbraw/zinc/12/63/73/186126373.db2.gz QZNDGUCNEYEOPW-ZBFHGGJFSA-N 0 0 321.804 3.258 10 70 DGIERN O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000159656301 186133524 /nfs/dbraw/zinc/13/35/24/186133524.db2.gz IIGIQEDDCWYYDU-GJZGRUSLSA-N 0 0 314.360 3.134 10 70 DGIERN CCCNC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159749686 186139318 /nfs/dbraw/zinc/13/93/18/186139318.db2.gz SBDUFKDFQBEVGR-WMLDXEAASA-N 0 0 316.445 3.438 10 70 DGIERN C[C@H]1C[C@H]1NC(=O)CSc1cccc(Br)c1 ZINC000161282598 197480958 /nfs/dbraw/zinc/48/09/58/197480958.db2.gz QKWYVYOIUJIVQU-GZMMTYOYSA-N 0 0 300.221 3.066 10 70 DGIERN c1cc(-c2nc(CN3CCCC[C@@H]3c3cn[nH]c3)no2)cs1 ZINC000160882992 197446621 /nfs/dbraw/zinc/44/66/21/197446621.db2.gz IHSWHXWQDMBXNL-CYBMUJFWSA-N 0 0 315.402 3.248 10 70 DGIERN C[C@@H](O)CCNC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160497144 197416486 /nfs/dbraw/zinc/41/64/86/197416486.db2.gz BASTUUYWGHKIQG-CYBMUJFWSA-N 0 0 306.406 3.038 10 70 DGIERN 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/nfs/dbraw/zinc/70/09/35/432700935.db2.gz UNIPXHOOOQQVAT-ZYHUDNBSSA-N 0 0 308.328 3.119 10 70 DGIERN O=C(NCCCOCC1CC1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000159956646 432703298 /nfs/dbraw/zinc/70/32/98/432703298.db2.gz KOIJHLHJZVICMO-QGZVFWFLSA-N 0 0 320.408 3.319 10 70 DGIERN CCc1cc(C(=O)N(CCOC)CC(F)(F)F)oc1CC ZINC000160045835 432705461 /nfs/dbraw/zinc/70/54/61/432705461.db2.gz WHEWLFPAGGUXLX-UHFFFAOYSA-N 0 0 307.312 3.055 10 70 DGIERN CCc1cc(NC(=O)Cc2c(Cl)cccc2OC)nc(C)n1 ZINC000160168521 432709659 /nfs/dbraw/zinc/70/96/59/432709659.db2.gz RUKDHHQOAPTXLN-UHFFFAOYSA-N 0 0 319.792 3.191 10 70 DGIERN Cc1ccccc1Sc1ccc(C(=O)NC2(CO)CC2)cc1 ZINC000160301175 432713814 /nfs/dbraw/zinc/71/38/14/432713814.db2.gz BZXMHHYVPWZPFF-UHFFFAOYSA-N 0 0 313.422 3.401 10 70 DGIERN CCOc1c(F)cccc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160267648 432714403 /nfs/dbraw/zinc/71/44/03/432714403.db2.gz FXXJLMGGXVUOMT-CYBMUJFWSA-N 0 0 321.392 3.446 10 70 DGIERN CC(C)(C)c1cn2nc(N[C@@H]3CCO[C@H](C4CC4)C3)sc2n1 ZINC000160449492 432720520 /nfs/dbraw/zinc/72/05/20/432720520.db2.gz IDYLJEGKMDHMDS-NEPJUHHUSA-N 0 0 320.462 3.458 10 70 DGIERN CC1(C)CCCN1C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160483254 432722459 /nfs/dbraw/zinc/72/24/59/432722459.db2.gz WETAAWWCBIWEJC-UHFFFAOYSA-N 0 0 323.396 3.088 10 70 DGIERN CCc1nnc(CN[C@H](C)c2ccc(-c3cccnc3)cc2)[nH]1 ZINC000160489247 432722920 /nfs/dbraw/zinc/72/29/20/432722920.db2.gz CYLXDPIDMOZZLN-CYBMUJFWSA-N 0 0 307.401 3.280 10 70 DGIERN CCc1nnc(CN[C@@H](C)c2ccc(-c3cccnc3)cc2)[nH]1 ZINC000160489151 432723291 /nfs/dbraw/zinc/72/32/91/432723291.db2.gz CYLXDPIDMOZZLN-ZDUSSCGKSA-N 0 0 307.401 3.280 10 70 DGIERN Cc1cnc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)cn1 ZINC000159561237 432687233 /nfs/dbraw/zinc/68/72/33/432687233.db2.gz CJZAKVYWBZFBEU-AWEZNQCLSA-N 0 0 313.401 3.311 10 70 DGIERN CCn1cc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)cn1 ZINC000159595956 432688788 /nfs/dbraw/zinc/68/87/88/432688788.db2.gz SYAIVCCTPOUPTM-CQSZACIVSA-N 0 0 315.417 3.429 10 70 DGIERN O=C(CC[C@H]1CCOC1)N1CC=C(c2ccccc2F)CC1 ZINC000159679888 432691568 /nfs/dbraw/zinc/69/15/68/432691568.db2.gz FEBXZXQNXMYFDK-AWEZNQCLSA-N 0 0 303.377 3.258 10 70 DGIERN CCN(C(=O)c1cc(S(C)(=O)=O)cs1)c1ccccc1C ZINC000160942581 432751730 /nfs/dbraw/zinc/75/17/30/432751730.db2.gz ZKRKRUPXSOVJTO-UHFFFAOYSA-N 0 0 323.439 3.127 10 70 DGIERN C[C@H]1C[C@@H]1NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000161004340 432755079 /nfs/dbraw/zinc/75/50/79/432755079.db2.gz HWEDJZTVSWRWAQ-ZANVPECISA-N 0 0 324.306 3.421 10 70 DGIERN CC(C)NC(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000161082534 432757436 /nfs/dbraw/zinc/75/74/36/432757436.db2.gz SHMSVGHHRRGWMO-UHFFFAOYSA-N 0 0 315.417 3.447 10 70 DGIERN C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccco1 ZINC000161069881 432758073 /nfs/dbraw/zinc/75/80/73/432758073.db2.gz ALOZJWMTIZZKJA-OAHLLOKOSA-N 0 0 308.381 3.340 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000161159171 432763140 /nfs/dbraw/zinc/76/31/40/432763140.db2.gz NWLGPYJROPFOSO-UHFFFAOYSA-N 0 0 321.336 3.162 10 70 DGIERN CO[C@@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000161239539 432767932 /nfs/dbraw/zinc/76/79/32/432767932.db2.gz SIJGUYWAOXWMKS-GDBMZVCRSA-N 0 0 317.410 3.036 10 70 DGIERN COc1cccc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1 ZINC000161273265 432769236 /nfs/dbraw/zinc/76/92/36/432769236.db2.gz PLNOBDQPFHLCRB-UHFFFAOYSA-N 0 0 307.353 3.442 10 70 DGIERN CC(C)(C)c1nc(CN2CCO[C@H](c3nccs3)C2)cs1 ZINC000161444845 432779623 /nfs/dbraw/zinc/77/96/23/432779623.db2.gz MTTAPUXYUHQKNK-LBPRGKRZSA-N 0 0 323.487 3.471 10 70 DGIERN CCC[C@@H](NC(=O)c1ccccc1COC)C(=O)OC(C)(C)C ZINC000161493673 432781523 /nfs/dbraw/zinc/78/15/23/432781523.db2.gz XNGBWSQKENBISL-OAHLLOKOSA-N 0 0 321.417 3.073 10 70 DGIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1CCC(C)(C)CC1)CC2 ZINC000160582026 432731196 /nfs/dbraw/zinc/73/11/96/432731196.db2.gz VVRNWDLZDWARFT-CQSZACIVSA-N 0 0 318.465 3.049 10 70 DGIERN CC(C)[C@@H](O)CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000160730172 432737466 /nfs/dbraw/zinc/73/74/66/432737466.db2.gz APYVBMKXUVNVOR-INIZCTEOSA-N 0 0 315.417 3.497 10 70 DGIERN Cc1cnn(Cc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)no2)c1 ZINC000160720187 432737795 /nfs/dbraw/zinc/73/77/95/432737795.db2.gz PBEKAYZQEZTRDK-AWEZNQCLSA-N 0 0 324.384 3.061 10 70 DGIERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)O1 ZINC000159714819 292798905 /nfs/dbraw/zinc/79/89/05/292798905.db2.gz RJPGIYYYGLUNMY-CXAGYDPISA-N 0 0 315.369 3.082 10 70 DGIERN CCOC(=O)C1(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CCC1 ZINC000159787111 292800112 /nfs/dbraw/zinc/80/01/12/292800112.db2.gz HTMXBXDSGOMXLG-BBRMVZONSA-N 0 0 315.413 3.475 10 70 DGIERN O=C(NCCCOCC1CC1)N[C@H]1CCCc2cc(F)ccc21 ZINC000159956520 292804272 /nfs/dbraw/zinc/80/42/72/292804272.db2.gz KOIJHLHJZVICMO-KRWDZBQOSA-N 0 0 320.408 3.319 10 70 DGIERN CCc1cc(C)c(C(=O)N(CCCOC)Cc2ccncc2)o1 ZINC000160093840 292807544 /nfs/dbraw/zinc/80/75/44/292807544.db2.gz VHBUFLZSKDTSIB-UHFFFAOYSA-N 0 0 316.401 3.224 10 70 DGIERN CCCCCc1ccc(C(=O)CCC(=O)NC2(CO)CC2)cc1 ZINC000160337044 292812959 /nfs/dbraw/zinc/81/29/59/292812959.db2.gz JOOXSRSEJAWJMA-UHFFFAOYSA-N 0 0 317.429 3.023 10 70 DGIERN CCCC[C@@H](NC(=O)c1ccncc1CC)C(=O)OC(C)(C)C ZINC000161234854 292831570 /nfs/dbraw/zinc/83/15/70/292831570.db2.gz GFTPMCISUZHDRS-OAHLLOKOSA-N 0 0 320.433 3.274 10 70 DGIERN C[C@@]1(C(=O)N[C@H]2CCOC3(CCCC3)C2)CC1(Cl)Cl ZINC000159598027 297873610 /nfs/dbraw/zinc/87/36/10/297873610.db2.gz ABWJIOSWJBFWRI-JQWIXIFHSA-N 0 0 306.233 3.178 10 70 DGIERN C[C@]1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1(Cl)Cl ZINC000159597660 300768541 /nfs/dbraw/zinc/76/85/41/300768541.db2.gz ABWJIOSWJBFWRI-ZYHUDNBSSA-N 0 0 306.233 3.178 10 70 DGIERN CC[C@H](C)CN(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159383158 523863502 /nfs/dbraw/zinc/86/35/02/523863502.db2.gz WGLTVNKKQWGAQX-STQMWFEESA-N 0 0 324.856 3.001 10 70 DGIERN Cn1cnc2cc(C(=O)N3CCC[C@@H](C(C)(C)C)CC3)cnc21 ZINC000160533021 534810764 /nfs/dbraw/zinc/81/07/64/534810764.db2.gz MZSIGVRLNINKEE-CQSZACIVSA-N 0 0 314.433 3.257 10 70 DGIERN C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(C)(C)C ZINC000160512084 525239360 /nfs/dbraw/zinc/23/93/60/525239360.db2.gz QZHXNLXEPIPBMX-LLVKDONJSA-N 0 0 301.394 3.038 10 70 DGIERN Cc1ccc(-c2nc(NC(=O)CCc3ccc(C)cc3)n[nH]2)o1 ZINC000160377307 525848815 /nfs/dbraw/zinc/84/88/15/525848815.db2.gz RSJLRSYZIMJCPD-UHFFFAOYSA-N 0 0 310.357 3.253 10 70 DGIERN Cc1nc(C)c(C(=O)N2CC=C(c3ccccc3F)CC2)o1 ZINC000160316065 526690797 /nfs/dbraw/zinc/69/07/97/526690797.db2.gz PCCOHJOYVJPAEX-UHFFFAOYSA-N 0 0 300.333 3.360 10 70 DGIERN Cc1nc(CC(=O)N(C[C@H]2CCCO2)C2CCCC2)c(C)s1 ZINC000161492560 526785879 /nfs/dbraw/zinc/78/58/79/526785879.db2.gz VFXJECQOASBKHO-OAHLLOKOSA-N 0 0 322.474 3.253 10 70 DGIERN CC(C)N(CCc1nccs1)Cc1noc(C(C)(C)C)n1 ZINC000159781497 528916527 /nfs/dbraw/zinc/91/65/27/528916527.db2.gz KDQXYEOXJIBLSA-UHFFFAOYSA-N 0 0 308.451 3.277 10 70 DGIERN CC(C)(C)[C@H](O)CNC(=O)CCSc1ccccc1Cl ZINC000159678396 546055381 /nfs/dbraw/zinc/05/53/81/546055381.db2.gz ZHQODSVMKAJTPV-CYBMUJFWSA-N 0 0 315.866 3.345 10 70 DGIERN Cc1cccc(O[C@H](C)C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000159861327 546055919 /nfs/dbraw/zinc/05/59/19/546055919.db2.gz NJRPNXPFOGVJJV-GFCCVEGCSA-N 0 0 311.385 3.377 10 70 DGIERN CCCn1nc(C)c(C(=O)Nc2cc(C3CC3)nc(C)n2)c1C ZINC000160029077 546057646 /nfs/dbraw/zinc/05/76/46/546057646.db2.gz ASQXSWIAOKCLSQ-UHFFFAOYSA-N 0 0 313.405 3.138 10 70 DGIERN CC(=O)N(C)c1cccc(NC(=O)C[C@@H](C)c2ccncc2)c1 ZINC000160957621 546063831 /nfs/dbraw/zinc/06/38/31/546063831.db2.gz ZBIJMOBKMGBBNP-CYBMUJFWSA-N 0 0 311.385 3.197 10 70 DGIERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000159538957 186125889 /nfs/dbraw/zinc/12/58/89/186125889.db2.gz FKUJKFWNFXCEEH-STQMWFEESA-N 0 0 319.405 3.104 10 70 DGIERN O=C(Cc1ccc(Br)s1)NCC1(C2CC2)CC1 ZINC000159658832 186133329 /nfs/dbraw/zinc/13/33/29/186133329.db2.gz KVMFWWFCOKNHFC-UHFFFAOYSA-N 0 0 314.248 3.360 10 70 DGIERN CCOCCC1(CNC(=O)CCc2ccccc2O)CCC1 ZINC000159701420 186136237 /nfs/dbraw/zinc/13/62/37/186136237.db2.gz VRCNXUDVBLDFPC-UHFFFAOYSA-N 0 0 305.418 3.038 10 70 DGIERN CC[C@@H](NC(=O)N(C)CCc1ncc(C)s1)c1ccncc1 ZINC000161484891 197498562 /nfs/dbraw/zinc/49/85/62/197498562.db2.gz LPNOFIZSLLVLQS-CQSZACIVSA-N 0 0 318.446 3.182 10 70 DGIERN COCCOc1ccc(NC(=O)NCCC2=CCCC2)cc1F ZINC000161364865 197489986 /nfs/dbraw/zinc/48/99/86/197489986.db2.gz KDSKXVRTWNFJQE-UHFFFAOYSA-N 0 0 322.380 3.473 10 70 DGIERN CN(C(=O)Nc1ccc(COC2CCCC2)cc1)[C@H]1CCOC1 ZINC000160555666 197421898 /nfs/dbraw/zinc/42/18/98/197421898.db2.gz VFTCWWGIIRMPIV-INIZCTEOSA-N 0 0 318.417 3.398 10 70 DGIERN Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(-c2cccnc2)n1 ZINC000160463632 197412630 /nfs/dbraw/zinc/41/26/30/197412630.db2.gz DUQANFYVBYYVLO-CVEARBPZSA-N 0 0 310.401 3.217 10 70 DGIERN O=S(=O)(Cc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000160111295 197386052 /nfs/dbraw/zinc/38/60/52/197386052.db2.gz XDDCASVEBMEFQA-UHFFFAOYSA-N 0 0 309.214 3.087 10 70 DGIERN CC(C)COC1CCN(C(=O)c2ccc(N(C)C)cc2F)CC1 ZINC000159934961 197375176 /nfs/dbraw/zinc/37/51/76/197375176.db2.gz SBFWZKOKQVWVTO-UHFFFAOYSA-N 0 0 322.424 3.169 10 70 DGIERN NC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000159484814 197357139 /nfs/dbraw/zinc/35/71/39/197357139.db2.gz PKJZCOAMJYOFNY-LSDHHAIUSA-N 0 0 301.390 3.332 10 70 DGIERN C[C@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccnc1 ZINC000159431933 197352988 /nfs/dbraw/zinc/35/29/88/197352988.db2.gz VLLUOVABPKBZTL-BXWFABGCSA-N 0 0 324.424 3.469 10 70 DGIERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCN(c2nccs2)CC1 ZINC000159402360 400728526 /nfs/dbraw/zinc/72/85/26/400728526.db2.gz HXFNQUUYJVEPCY-LSDHHAIUSA-N 0 0 319.474 3.008 10 70 DGIERN Cc1ccc(C[C@@H](C)N(C)S(=O)(=O)c2cccs2)cc1 ZINC000159821103 400731503 /nfs/dbraw/zinc/73/15/03/400731503.db2.gz TZHMEEYREVFWPU-CYBMUJFWSA-N 0 0 309.456 3.308 10 70 DGIERN O=C(c1n[nH]c2c1CCCC2)N(Cc1ccco1)C1CCCC1 ZINC000160889304 400736717 /nfs/dbraw/zinc/73/67/17/400736717.db2.gz IBBKFNJSOLCJDF-UHFFFAOYSA-N 0 0 313.401 3.467 10 70 DGIERN O=S(=O)(C1CC1)N1CCCc2cc(Cl)cc(Cl)c21 ZINC000160801401 292822457 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CCC(CC)n1ncc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1C ZINC000160120234 432709184 /nfs/dbraw/zinc/70/91/84/432709184.db2.gz AWWXBUBVOKRRLP-IAGOWNOFSA-N 0 0 319.449 3.336 10 70 DGIERN C[C@@](O)(CNc1ccnc(C2CC2)n1)c1ccccc1Cl ZINC000160186458 432710102 /nfs/dbraw/zinc/71/01/02/432710102.db2.gz GKJGDNZDWDAULO-MRXNPFEDSA-N 0 0 303.793 3.327 10 70 DGIERN CO[C@@H](C)c1cccc(NC(=O)N(C)CC2CCOCC2)c1 ZINC000160358178 432716372 /nfs/dbraw/zinc/71/63/72/432716372.db2.gz FFPBCWLZAPGUEV-ZDUSSCGKSA-N 0 0 306.406 3.284 10 70 DGIERN Cc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1Cl ZINC000160383622 432717827 /nfs/dbraw/zinc/71/78/27/432717827.db2.gz PRZYBJZAEVNAQT-SUMWQHHRSA-N 0 0 307.821 3.416 10 70 DGIERN CCC(CC)[C@H](O)CNC(=O)c1[nH]c2ccc(C)cc2c1C ZINC000160406415 432718808 /nfs/dbraw/zinc/71/88/08/432718808.db2.gz ZQZQCFZWTFICNN-MRXNPFEDSA-N 0 0 302.418 3.312 10 70 DGIERN C[C@@H](CO)N(C)C(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000160426125 432719216 /nfs/dbraw/zinc/71/92/16/432719216.db2.gz VBPIFECCHWAASY-WCQYABFASA-N 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Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](C)O3)cc2)n[nH]1 ZINC000160422829 292814060 /nfs/dbraw/zinc/81/40/60/292814060.db2.gz KVQFCGFEEKFSMJ-FZMZJTMJSA-N 0 0 301.346 3.016 10 70 DGIERN CC[C@H](N[C@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098384 292828203 /nfs/dbraw/zinc/82/82/03/292828203.db2.gz YXGQTNJOGPMHMW-HIFRSBDPSA-N 0 0 317.458 3.231 10 70 DGIERN C[C@@H]1CCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@@H]1C ZINC000160710598 534002798 /nfs/dbraw/zinc/00/27/98/534002798.db2.gz NSHQFWQSCMBZPX-GHMZBOCLSA-N 0 0 323.824 3.304 10 70 DGIERN Cc1nc(NC(=O)Cc2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000160039042 534465231 /nfs/dbraw/zinc/46/52/31/534465231.db2.gz LPPVPZOATQUNEK-UHFFFAOYSA-N 0 0 301.777 3.497 10 70 DGIERN Cc1nc(NC(=O)c2ccc(F)c(F)c2F)cc(C2CC2)n1 ZINC000160146799 534482329 /nfs/dbraw/zinc/48/23/29/534482329.db2.gz CJBYFDCFPGPJFA-UHFFFAOYSA-N 0 0 307.275 3.332 10 70 DGIERN C[C@H](NC(=O)CCc1ccccn1)c1ccccc1-n1cccn1 ZINC000159610292 524939366 /nfs/dbraw/zinc/93/93/66/524939366.db2.gz FUZDIBIPULJJRO-HNNXBMFYSA-N 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ZINC000161355286 197488181 /nfs/dbraw/zinc/48/81/81/197488181.db2.gz QJJRDLIRVVZTKO-HNNXBMFYSA-N 0 0 317.410 3.108 10 70 DGIERN CCCNC(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 ZINC000160922400 197451216 /nfs/dbraw/zinc/45/12/16/197451216.db2.gz MJKQZOZQGKUPPD-YOEHRIQHSA-N 0 0 320.433 3.021 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)NOCc2cccnc2)c2ccccc21 ZINC000160876542 197445945 /nfs/dbraw/zinc/44/59/45/197445945.db2.gz GPOMTHVCCQAZCX-DYVFJYSZSA-N 0 0 311.385 3.451 10 70 DGIERN CCc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(-c2ccccn2)n1 ZINC000160317125 197399910 /nfs/dbraw/zinc/39/99/10/197399910.db2.gz ANEBWHWHCCDYES-WBVHZDCISA-N 0 0 324.428 3.471 10 70 DGIERN O=C(CCCC(=O)NCCC1=CCCC1)NCCC1=CCCC1 ZINC000160159980 197389865 /nfs/dbraw/zinc/38/98/65/197389865.db2.gz RXAPBJXBJPDBAC-UHFFFAOYSA-N 0 0 318.461 3.390 10 70 DGIERN O=C(NCc1cccc(F)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000159947539 197376197 /nfs/dbraw/zinc/37/61/97/197376197.db2.gz DVHPSMLAOKNTLL-OAHLLOKOSA-N 0 0 320.389 3.170 10 70 DGIERN CN(Cc1nccn1C(F)F)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159902105 197371453 /nfs/dbraw/zinc/37/14/53/197371453.db2.gz NWVYPQURIUNOLD-CHWSQXEVSA-N 0 0 311.376 3.453 10 70 DGIERN C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc2ccccc2c1 ZINC000159846367 197368214 /nfs/dbraw/zinc/36/82/14/197368214.db2.gz VCPNSMXZPKCVNH-KUHUBIRLSA-N 0 0 312.413 3.457 10 70 DGIERN CC1(C)C[C@H]1C(=O)NCc1cccc(NC(=O)C2CCCC2)c1 ZINC000159811718 197366265 /nfs/dbraw/zinc/36/62/65/197366265.db2.gz ZTGXITNENDAIMG-INIZCTEOSA-N 0 0 314.429 3.478 10 70 DGIERN Cc1ccc(CC(=O)NCc2nc3cccc(C)c3n2C)s1 ZINC000159784599 197364563 /nfs/dbraw/zinc/36/45/63/197364563.db2.gz MHDJSRGHLHKDCK-UHFFFAOYSA-N 0 0 313.426 3.111 10 70 DGIERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000159539229 197360710 /nfs/dbraw/zinc/36/07/10/197360710.db2.gz FKUJKFWNFXCEEH-OLZOCXBDSA-N 0 0 319.405 3.104 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)c2ccccc21 ZINC000159483732 197356874 /nfs/dbraw/zinc/35/68/74/197356874.db2.gz DLKBXNWKFDAYIQ-PXAZEXFGSA-N 0 0 308.381 3.154 10 70 DGIERN CCCOc1cccc(CCNC(=O)[C@H](C)C2CCOCC2)c1 ZINC000160637391 292819239 /nfs/dbraw/zinc/81/92/39/292819239.db2.gz ADQHUZLHZVWJHI-OAHLLOKOSA-N 0 0 319.445 3.197 10 70 DGIERN COCc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000159824904 285495964 /nfs/dbraw/zinc/49/59/64/285495964.db2.gz REXOSADGSMLFLG-AWEZNQCLSA-N 0 0 315.369 3.458 10 70 DGIERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCN(c2nccs2)CC1 ZINC000159402493 400728245 /nfs/dbraw/zinc/72/82/45/400728245.db2.gz HXFNQUUYJVEPCY-GJZGRUSLSA-N 0 0 319.474 3.008 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)c2cnc3c(c2)ncn3C)c2ccccc21 ZINC000160973300 400737316 /nfs/dbraw/zinc/73/73/16/400737316.db2.gz KENMKVANJLZVKD-MLGOLLRUSA-N 0 0 320.396 3.337 10 70 DGIERN C[C@@H]1C[C@H]1NC(=O)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000160977397 400738003 /nfs/dbraw/zinc/73/80/03/400738003.db2.gz OJRMFVYNNLFYFE-MLGOLLRUSA-N 0 0 310.401 3.355 10 70 DGIERN CC(C)c1noc(CCCNC(=O)N(C)C2CCCCCC2)n1 ZINC000161172637 400739090 /nfs/dbraw/zinc/73/90/90/400739090.db2.gz OSQGEZWLMHRHFS-UHFFFAOYSA-N 0 0 322.453 3.490 10 70 DGIERN Cn1cnc2cc(C(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)cnc21 ZINC000159689571 228242891 /nfs/dbraw/zinc/24/28/91/228242891.db2.gz TZSRBKAVHNETHP-ZIAGYGMSSA-N 0 0 314.433 3.303 10 70 DGIERN COCCOC[C@@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159740585 432693671 /nfs/dbraw/zinc/69/36/71/432693671.db2.gz SQXIOYVEKREERD-GFCCVEGCSA-N 0 0 322.355 3.002 10 70 DGIERN C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccccc1-n1cccn1 ZINC000159725142 432694346 /nfs/dbraw/zinc/69/43/46/432694346.db2.gz MTZDLWJUVWPIGD-ZYHUDNBSSA-N 0 0 324.211 3.243 10 70 DGIERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CCOCC2)n1 ZINC000159752490 432695057 /nfs/dbraw/zinc/69/50/57/432695057.db2.gz JIDZAWJSJRSGJI-YOEHRIQHSA-N 0 0 302.418 3.116 10 70 DGIERN CN(C[C@@H]1CCCO1)c1ncc(Cl)cc1Br ZINC000159750620 432695219 /nfs/dbraw/zinc/69/52/19/432695219.db2.gz NEFQHGQBHVCOAZ-VIFPVBQESA-N 0 0 305.603 3.113 10 70 DGIERN COCc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)o1 ZINC000159825048 432697898 /nfs/dbraw/zinc/69/78/98/432697898.db2.gz REXOSADGSMLFLG-CQSZACIVSA-N 0 0 315.369 3.458 10 70 DGIERN Cc1cccc([C@H]2CCCN2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854639 432699207 /nfs/dbraw/zinc/69/92/07/432699207.db2.gz BTHYXPPOVWJTGU-LJQANCHMSA-N 0 0 319.412 3.308 10 70 DGIERN Cc1nc2n(n1)CCC[C@@H]2Nc1ccnc2c(F)cc(F)cc12 ZINC000159883107 432699629 /nfs/dbraw/zinc/69/96/29/432699629.db2.gz WUXXBMLUDWQVQB-AWEZNQCLSA-N 0 0 315.327 3.360 10 70 DGIERN CC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1nccs1 ZINC000159964735 432703341 /nfs/dbraw/zinc/70/33/41/432703341.db2.gz WTAFXPMKRALLDL-LLVKDONJSA-N 0 0 316.835 3.226 10 70 DGIERN CCc1cccc(CC(=O)Nc2ccccc2CC(=O)OC)c1 ZINC000160058087 432705110 /nfs/dbraw/zinc/70/51/10/432705110.db2.gz PGQKXLZBRXEAHL-UHFFFAOYSA-N 0 0 311.381 3.146 10 70 DGIERN Cc1cccc([C@@H]2CCCN2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056099 432705465 /nfs/dbraw/zinc/70/54/65/432705465.db2.gz HBPNEBLFIHWHIB-HNNXBMFYSA-N 0 0 310.357 3.370 10 70 DGIERN CCOc1cc(C(=O)N(C)c2ccc3c(c2)OCO3)ccc1C ZINC000160088023 432707382 /nfs/dbraw/zinc/70/73/82/432707382.db2.gz QBQCSXBUWMJMPB-UHFFFAOYSA-N 0 0 313.353 3.399 10 70 DGIERN Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CC=CCC3)CCO2)o1 ZINC000160117955 432708103 /nfs/dbraw/zinc/70/81/03/432708103.db2.gz XBBACMSHHKXDBC-HOCLYGCPSA-N 0 0 304.390 3.027 10 70 DGIERN O=C(NCc1ccnc(-n2cccn2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160174505 432709551 /nfs/dbraw/zinc/70/95/51/432709551.db2.gz VRBGMWUYXWRVNM-IRXDYDNUSA-N 0 0 324.428 3.100 10 70 DGIERN Cc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1Cl ZINC000160383497 432717840 /nfs/dbraw/zinc/71/78/40/432717840.db2.gz PRZYBJZAEVNAQT-DYVFJYSZSA-N 0 0 307.821 3.416 10 70 DGIERN Cc1ccc2cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc2n1 ZINC000160364287 432717954 /nfs/dbraw/zinc/71/79/54/432717954.db2.gz FHTUJIYFSLCNOI-QGZVFWFLSA-N 0 0 313.445 3.249 10 70 DGIERN O=C(NCCC1=CCCC1)Nc1ccccc1N1CCCC1=O ZINC000160435628 432721455 /nfs/dbraw/zinc/72/14/55/432721455.db2.gz AOOHIOKJLFGMAY-UHFFFAOYSA-N 0 0 313.401 3.435 10 70 DGIERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159445702 432684012 /nfs/dbraw/zinc/68/40/12/432684012.db2.gz LJGSJBCCXQHAQG-HNNXBMFYSA-N 0 0 308.466 3.062 10 70 DGIERN CCOc1ccc(NC(=O)[C@@H](C)C2CCOCC2)cc1OC ZINC000159520477 432686755 /nfs/dbraw/zinc/68/67/55/432686755.db2.gz NEBABXUEBHWWPM-LBPRGKRZSA-N 0 0 307.390 3.095 10 70 DGIERN CSC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000159564209 432687376 /nfs/dbraw/zinc/68/73/76/432687376.db2.gz DCGGKCFEIGEARO-OLZOCXBDSA-N 0 0 303.431 3.049 10 70 DGIERN C[C@@H]1CO[C@H](c2ccccc2)CN1Cc1cnc2ccccn12 ZINC000159635447 432690086 /nfs/dbraw/zinc/69/00/86/432690086.db2.gz UYHCQNZXNWOQLZ-QAPCUYQASA-N 0 0 307.397 3.296 10 70 DGIERN Cc1ccc(C)c(OCCSC[C@H](C)CS(C)(=O)=O)c1 ZINC000159639192 432690392 /nfs/dbraw/zinc/69/03/92/432690392.db2.gz CHLVAGWDNBEXRI-ZDUSSCGKSA-N 0 0 316.488 3.096 10 70 DGIERN Cn1cnc2cc(C(=O)N3CCCCC[C@H]3c3ccco3)cnc21 ZINC000159661256 432692015 /nfs/dbraw/zinc/69/20/15/432692015.db2.gz MUIWEKIBVVFTSW-HNNXBMFYSA-N 0 0 324.384 3.319 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093495 432759202 /nfs/dbraw/zinc/75/92/02/432759202.db2.gz KYXJDKQGCAWBFP-BXUZGUMPSA-N 0 0 321.421 3.028 10 70 DGIERN CC[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179511 432764925 /nfs/dbraw/zinc/76/49/25/432764925.db2.gz YYEVOAMXKKXHTF-LSDHHAIUSA-N 0 0 315.442 3.204 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CSC(F)(F)F)n1 ZINC000161182817 432765453 /nfs/dbraw/zinc/76/54/53/432765453.db2.gz NHBGGTKBILNVHX-UHFFFAOYSA-N 0 0 315.320 3.372 10 70 DGIERN C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161259308 432769659 /nfs/dbraw/zinc/76/96/59/432769659.db2.gz CHABSYUAJNYAEW-UKRRQHHQSA-N 0 0 317.410 3.116 10 70 DGIERN CCC[C@@H](NC(=O)c1scnc1C1CC1)C(=O)OC(C)(C)C ZINC000161278300 432769811 /nfs/dbraw/zinc/76/98/11/432769811.db2.gz IAAGGCZIAXWWJU-LLVKDONJSA-N 0 0 324.446 3.261 10 70 DGIERN COc1ccc(CC(=O)Nc2ccccc2-n2ccc(C)n2)cc1 ZINC000161273401 432769837 /nfs/dbraw/zinc/76/98/37/432769837.db2.gz YMJMZRLDAWYKBK-UHFFFAOYSA-N 0 0 321.380 3.371 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)Cc2csc(C)n2)n1 ZINC000161310265 432773724 /nfs/dbraw/zinc/77/37/24/432773724.db2.gz PFDOTQYOLGTQOH-UHFFFAOYSA-N 0 0 312.398 3.127 10 70 DGIERN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CCOCC2)o1 ZINC000161379346 432776784 /nfs/dbraw/zinc/77/67/84/432776784.db2.gz HXKFDXQERFMTIC-BBRMVZONSA-N 0 0 321.417 3.152 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CCC2CCOCC2)n1 ZINC000161423573 432777748 /nfs/dbraw/zinc/77/77/48/432777748.db2.gz LHTJFAUSHACJFC-UHFFFAOYSA-N 0 0 313.401 3.326 10 70 DGIERN Cn1nccc1C1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160579199 432728744 /nfs/dbraw/zinc/72/87/44/432728744.db2.gz OQGJWQPMTNFWCC-UHFFFAOYSA-N 0 0 303.450 3.343 10 70 DGIERN CS[C@@H](C)CC(=O)NCc1cc(F)cc(Br)c1 ZINC000160632202 432731885 /nfs/dbraw/zinc/73/18/85/432731885.db2.gz VKFAQWAOPNTDRL-QMMMGPOBSA-N 0 0 320.227 3.346 10 70 DGIERN CC(C)[C@H](O)CC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160659413 432734656 /nfs/dbraw/zinc/73/46/56/432734656.db2.gz MTFSGRPFLKBXBJ-QGZVFWFLSA-N 0 0 305.418 3.491 10 70 DGIERN CC1(C)CCCN1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160691949 432735759 /nfs/dbraw/zinc/73/57/59/432735759.db2.gz FYCAPYCVINNMTE-HZPDHXFCSA-N 0 0 302.418 3.491 10 70 DGIERN COc1cccc(Cl)c1CC(=O)NC[C@]1(C)CCCS1 ZINC000160687899 432736178 /nfs/dbraw/zinc/73/61/78/432736178.db2.gz YACBAPBIPPBAPC-HNNXBMFYSA-N 0 0 313.850 3.293 10 70 DGIERN CCn1ccnc1CN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000160711413 432737131 /nfs/dbraw/zinc/73/71/31/432737131.db2.gz SVEUSIXRQMCVMY-MRXNPFEDSA-N 0 0 315.417 3.257 10 70 DGIERN O[C@@]12CCCC[C@@H]1CN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC000160866043 432745699 /nfs/dbraw/zinc/74/56/99/432745699.db2.gz QRQXOZROINLEQA-MLGOLLRUSA-N 0 0 307.825 3.139 10 70 DGIERN CCN(C(=O)NCc1cn(C)nc1C(F)(F)F)[C@@H](C)C(C)C ZINC000160863112 432746619 /nfs/dbraw/zinc/74/66/19/432746619.db2.gz DPMSPDSAJOPDQF-JTQLQIEISA-N 0 0 320.359 3.015 10 70 DGIERN CCCC[C@@H](NC(=O)C[C@H](C)SC)C(=O)OC(C)(C)C ZINC000161087762 292828275 /nfs/dbraw/zinc/82/82/75/292828275.db2.gz CMGDVPGOFVUAOU-NWDGAFQWSA-N 0 0 303.468 3.145 10 70 DGIERN CCc1nc(CNC(=O)[C@H](C)Cc2ccccc2F)cs1 ZINC000159426756 292792521 /nfs/dbraw/zinc/79/25/21/292792521.db2.gz WQWYMLUMDIWDOP-LLVKDONJSA-N 0 0 306.406 3.340 10 70 DGIERN CCc1cccc(CC(=O)Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000159579498 292795731 /nfs/dbraw/zinc/79/57/31/292795731.db2.gz DEWNVZWGPZJQAY-UHFFFAOYSA-N 0 0 310.397 3.413 10 70 DGIERN C[C@H](CSCc1ccc(OC(F)F)cc1)CS(C)(=O)=O ZINC000159739100 292799558 /nfs/dbraw/zinc/79/95/58/292799558.db2.gz OWIWJOYZFCTNCS-SNVBAGLBSA-N 0 0 324.414 3.202 10 70 DGIERN Cc1ccccc1C1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000160041489 292805794 /nfs/dbraw/zinc/80/57/94/292805794.db2.gz URDVLXPOHTZPTQ-UHFFFAOYSA-N 0 0 316.474 3.292 10 70 DGIERN CCc1oc(C(=O)N[C@H](CC(=O)OC)c2ccccc2)cc1C ZINC000160062171 292806440 /nfs/dbraw/zinc/80/64/40/292806440.db2.gz MQPJGGAGIFLHQA-CQSZACIVSA-N 0 0 315.369 3.185 10 70 DGIERN O=C(NCCC1=CCCC1)c1ccn(-c2c(F)cccc2F)n1 ZINC000160149023 292808220 /nfs/dbraw/zinc/80/82/20/292808220.db2.gz GYDJKYYDVAJDAS-UHFFFAOYSA-N 0 0 317.339 3.381 10 70 DGIERN C[C@@]1(c2ccccc2)CN(C(=O)NC2CCCCC2)CCO1 ZINC000160193600 292809561 /nfs/dbraw/zinc/80/95/61/292809561.db2.gz CSDURPXIZBOHQI-SFHVURJKSA-N 0 0 302.418 3.276 10 70 DGIERN Cc1nc(NC(=O)CCOc2ccc(F)cc2)cc(C2CC2)n1 ZINC000160287129 292811469 /nfs/dbraw/zinc/81/14/69/292811469.db2.gz CATHUVGCFLMNEA-UHFFFAOYSA-N 0 0 315.348 3.209 10 70 DGIERN C[C@@H](C(=O)NCCCCOc1ccc(F)cc1)C1CCOCC1 ZINC000160927459 292824904 /nfs/dbraw/zinc/82/49/04/292824904.db2.gz OYICGXWEPAZFJP-CQSZACIVSA-N 0 0 323.408 3.164 10 70 DGIERN CCc1cccc(CC(=O)N2CCc3ccc(OC)cc3C2)c1 ZINC000161090518 292827909 /nfs/dbraw/zinc/82/79/09/292827909.db2.gz ZCXQCVPMFYAUKW-UHFFFAOYSA-N 0 0 309.409 3.385 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cc(Cl)c[nH]2)n1 ZINC000161121138 292828997 /nfs/dbraw/zinc/82/89/97/292828997.db2.gz WVSJGNQLSHXVDX-UHFFFAOYSA-N 0 0 300.749 3.415 10 70 DGIERN C[C@@]1(C(=O)N[C@@H]2CCOC3(CCCC3)C2)CC1(Cl)Cl ZINC000159597788 297871839 /nfs/dbraw/zinc/87/18/39/297871839.db2.gz ABWJIOSWJBFWRI-PWSUYJOCSA-N 0 0 306.233 3.178 10 70 DGIERN C[C@H](CN1c2ccccc2S[C@H](C)[C@@H]1C)CS(C)(=O)=O ZINC000161201578 298674022 /nfs/dbraw/zinc/67/40/22/298674022.db2.gz QIXCJHZNGWPSLL-FRRDWIJNSA-N 0 0 313.488 3.056 10 70 DGIERN CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@@H](O)C(C)C)C2)n1 ZINC000160921501 519856909 /nfs/dbraw/zinc/85/69/09/519856909.db2.gz ASRWKIHWHSSMHQ-UKRRQHHQSA-N 0 0 324.490 3.380 10 70 DGIERN CCC[C@@H](NC(=O)c1ccnc(SC)c1)C(=O)OC(C)(C)C ZINC000161312234 520756081 /nfs/dbraw/zinc/75/60/81/520756081.db2.gz FUWZMLZNZZJSCZ-GFCCVEGCSA-N 0 0 324.446 3.044 10 70 DGIERN C[C@@H](C(=O)N1CCC[C@H](Nc2ccccc2)C1)C1CCOCC1 ZINC000160321121 524119062 /nfs/dbraw/zinc/11/90/62/524119062.db2.gz OBAQRACWQKRKKZ-QAPCUYQASA-N 0 0 316.445 3.152 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)[C@H](C)C1 ZINC000159860721 524693491 /nfs/dbraw/zinc/69/34/91/524693491.db2.gz AZAAPKTVCHZIGV-NFAWXSAZSA-N 0 0 304.438 3.123 10 70 DGIERN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)C2CCOCC2)cc1 ZINC000160716587 525247688 /nfs/dbraw/zinc/24/76/88/525247688.db2.gz ZJQLLXGVTCSGTI-KDOFPFPSSA-N 0 0 317.429 3.421 10 70 DGIERN CCCOc1cccc(CCNC(=O)c2ccc(COC)o2)c1 ZINC000159734127 528750505 /nfs/dbraw/zinc/75/05/05/528750505.db2.gz RCZZKMJKHJMWEZ-UHFFFAOYSA-N 0 0 317.385 3.187 10 70 DGIERN CC(C)N(CCc1nccs1)Cc1nc(C(C)(C)C)no1 ZINC000159954063 528916066 /nfs/dbraw/zinc/91/60/66/528916066.db2.gz UAZDKHGOPUKOHK-UHFFFAOYSA-N 0 0 308.451 3.277 10 70 DGIERN CC1(C)CCC[C@@H](CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)C1 ZINC000161361777 528954507 /nfs/dbraw/zinc/95/45/07/528954507.db2.gz VNDSGGFFSIDGPE-JKSUJKDBSA-N 0 0 318.465 3.123 10 70 DGIERN CC(C)(C)[C@@H](O)CNC(=O)CCSc1ccccc1Cl ZINC000159678525 546055317 /nfs/dbraw/zinc/05/53/17/546055317.db2.gz ZHQODSVMKAJTPV-ZDUSSCGKSA-N 0 0 315.866 3.345 10 70 DGIERN Cc1cccc(O[C@@H](C)C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000159861190 546056378 /nfs/dbraw/zinc/05/63/78/546056378.db2.gz NJRPNXPFOGVJJV-LBPRGKRZSA-N 0 0 311.385 3.377 10 70 DGIERN Cc1nc(NC(=O)COc2ccccc2Cl)cc(C2CC2)n1 ZINC000160102345 546058167 /nfs/dbraw/zinc/05/81/67/546058167.db2.gz TUXJHNUKFKKHMX-UHFFFAOYSA-N 0 0 317.776 3.333 10 70 DGIERN Cc1ccc(C)c(OCC(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000160227178 546059150 /nfs/dbraw/zinc/05/91/50/546059150.db2.gz BQOGRROKUHKMNF-UHFFFAOYSA-N 0 0 311.385 3.297 10 70 DGIERN CCc1cc(C)c(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)o1 ZINC000160436704 529523027 /nfs/dbraw/zinc/52/30/27/529523027.db2.gz RAJLSRXFWXCXEF-INIZCTEOSA-N 0 0 314.385 3.371 10 70 DGIERN CCc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000161224870 529568768 /nfs/dbraw/zinc/56/87/68/529568768.db2.gz NGMQPWSNIGVNMC-AWEZNQCLSA-N 0 0 320.396 3.321 10 70 DGIERN Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)n(C)n1 ZINC000159758647 186139726 /nfs/dbraw/zinc/13/97/26/186139726.db2.gz LWCJTBMKCKOXLE-CQSZACIVSA-N 0 0 315.417 3.254 10 70 DGIERN Cc1ccc(-c2cc(C(F)(F)F)nc(NC(N)=S)n2)cc1 ZINC000217023321 201506897 /nfs/dbraw/zinc/50/68/97/201506897.db2.gz WJHZHAUTUQYCNT-UHFFFAOYSA-N 0 0 312.320 3.126 10 70 DGIERN CCN(CC)c1nc2[nH]c(=O)cc(C(F)(F)Cl)c2s1 ZINC000217014273 201507663 /nfs/dbraw/zinc/50/76/63/201507663.db2.gz NRJGYBBQZHFZKD-UHFFFAOYSA-N 0 0 307.753 3.119 10 70 DGIERN CCCc1ncc(C(=O)N2CCO[C@H](c3cccs3)C2)s1 ZINC000161470839 197497522 /nfs/dbraw/zinc/49/75/22/197497522.db2.gz YONGDVGBFSDYAF-NSHDSACASA-N 0 0 322.455 3.371 10 70 DGIERN COc1ccccc1N1CC[C@H](NC(=O)c2cscc2C)C1 ZINC000161105210 197466237 /nfs/dbraw/zinc/46/62/37/197466237.db2.gz YAHRRSXXOWHSHG-ZDUSSCGKSA-N 0 0 316.426 3.074 10 70 DGIERN CNC(=O)[C@H]1CCCC[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000160043364 197382210 /nfs/dbraw/zinc/38/22/10/197382210.db2.gz UNNOLFBQILAUDX-SMDDNHRTSA-N 0 0 319.355 3.230 10 70 DGIERN Cc1cnc(CCN(C)C(=O)NCC2CCC(C)CC2)s1 ZINC000159926655 197374209 /nfs/dbraw/zinc/37/42/09/197374209.db2.gz HIAYQQCXJYFGDL-UHFFFAOYSA-N 0 0 309.479 3.462 10 70 DGIERN 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522871199 /nfs/dbraw/zinc/87/11/99/522871199.db2.gz SCUFHIJBXYHHAT-UHFFFAOYSA-N 0 0 323.324 3.346 10 70 DGIERN COCCC1(CNC(=O)NCCCCSC)CCCC1 ZINC000161056801 523040632 /nfs/dbraw/zinc/04/06/32/523040632.db2.gz YFWJDHDQOKYGMF-UHFFFAOYSA-N 0 0 302.484 3.026 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CCc2ccccc2O)n1 ZINC000161164661 525564178 /nfs/dbraw/zinc/56/41/78/525564178.db2.gz QIGUBNTYIYFUKH-UHFFFAOYSA-N 0 0 321.380 3.458 10 70 DGIERN CCC(C)(CC)NC(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159872679 528610918 /nfs/dbraw/zinc/61/09/18/528610918.db2.gz RZZQPTPOSACTEW-UHFFFAOYSA-N 0 0 316.405 3.157 10 70 DGIERN Cc1nc(NC(=O)c2ccc(Br)o2)cc(C2CC2)n1 ZINC000159907301 546057411 /nfs/dbraw/zinc/05/74/11/546057411.db2.gz PRPGYSOQQCKSAH-UHFFFAOYSA-N 0 0 322.162 3.270 10 70 DGIERN CC(=O)N(C)c1cccc(NC(=O)C[C@H](C)c2ccncc2)c1 ZINC000160957516 546063385 /nfs/dbraw/zinc/06/33/85/546063385.db2.gz ZBIJMOBKMGBBNP-ZDUSSCGKSA-N 0 0 311.385 3.197 10 70 DGIERN CC(C)S(=O)(=O)c1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000160144779 197388944 /nfs/dbraw/zinc/38/89/44/197388944.db2.gz NKPBRZHXKGGJQH-UHFFFAOYSA-N 0 0 321.442 3.099 10 70 DGIERN CC[C@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000160078712 197384456 /nfs/dbraw/zinc/38/44/56/197384456.db2.gz QLZCVFQOLMHOCW-PBHICJAKSA-N 0 0 315.392 3.069 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N(C)c1cccc(C)n1 ZINC000159973828 197378115 /nfs/dbraw/zinc/37/81/15/197378115.db2.gz CCYJJQAUYDSMOX-UHFFFAOYSA-N 0 0 304.777 3.258 10 70 DGIERN Cc1cnc(CCN(C)C(=O)NC[C@H]2CCC[C@@H](C)C2)s1 ZINC000159924853 197374205 /nfs/dbraw/zinc/37/42/05/197374205.db2.gz ZWABHPFBHDKMRY-OCCSQVGLSA-N 0 0 309.479 3.462 10 70 DGIERN COc1cc(NC(=O)NCCC2=CCCC2)cc(OC)c1OC ZINC000159812806 197366757 /nfs/dbraw/zinc/36/67/57/197366757.db2.gz YYQOQCWLUUZYTJ-UHFFFAOYSA-N 0 0 320.389 3.334 10 70 DGIERN CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CCCOC2)cc1 ZINC000159819790 197366267 /nfs/dbraw/zinc/36/62/67/197366267.db2.gz VVHRATFVYYZOBE-GOEBONIOSA-N 0 0 305.418 3.325 10 70 DGIERN NC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000159414470 197351766 /nfs/dbraw/zinc/35/17/66/197351766.db2.gz QYOJGOJOEVGKNS-CVEARBPZSA-N 0 0 315.417 3.010 10 70 DGIERN CCCOc1cccc(CCNC(=O)[C@@H](C)C2CCOCC2)c1 ZINC000160637268 292819077 /nfs/dbraw/zinc/81/90/77/292819077.db2.gz ADQHUZLHZVWJHI-HNNXBMFYSA-N 0 0 319.445 3.197 10 70 DGIERN CC[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1nccs1 ZINC000159983259 400732470 /nfs/dbraw/zinc/73/24/70/400732470.db2.gz AXLHXABPZJJKSD-ZETCQYMHSA-N 0 0 322.864 3.288 10 70 DGIERN CCc1cc(NC(=O)[C@H](C)CSCc2ccccc2)n[nH]1 ZINC000160584773 400734865 /nfs/dbraw/zinc/73/48/65/400734865.db2.gz POFMVMGUPMBHND-GFCCVEGCSA-N 0 0 303.431 3.480 10 70 DGIERN CC[C@H]1CCCCCN1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000160903960 400736458 /nfs/dbraw/zinc/73/64/58/400736458.db2.gz GBOFGPDOIMKAHU-GJZGRUSLSA-N 0 0 307.438 3.247 10 70 DGIERN C[C@@H]1CN(C(=O)N[C@H](c2ccccc2)C2CCC2)C[C@@H](C)O1 ZINC000216873667 432651978 /nfs/dbraw/zinc/65/19/78/432651978.db2.gz XPINELOLVDZXNR-CKEIUWERSA-N 0 0 302.418 3.347 10 70 DGIERN CC(C)Oc1cccc(CSC[C@H](C)CS(C)(=O)=O)c1 ZINC000159724948 432693465 /nfs/dbraw/zinc/69/34/65/432693465.db2.gz QZWSPAATOYGPRM-ZDUSSCGKSA-N 0 0 316.488 3.388 10 70 DGIERN C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)C1CCOCC1 ZINC000159792985 432696036 /nfs/dbraw/zinc/69/60/36/432696036.db2.gz UUGWVZYQTAMKKU-GFCCVEGCSA-N 0 0 318.442 3.317 10 70 DGIERN CCn1cc(C2CCN(C(=O)N[C@@H](C)C(C)(C)C)CC2)cn1 ZINC000159792960 432696066 /nfs/dbraw/zinc/69/60/66/432696066.db2.gz UXLBVGHNRJJMKV-ZDUSSCGKSA-N 0 0 306.454 3.227 10 70 DGIERN Cc1cc(OCC(=O)N[C@H](c2cccs2)C(C)(C)C)nn1C ZINC000159801360 432697953 /nfs/dbraw/zinc/69/79/53/432697953.db2.gz HSSGIXTYXMYXTJ-OAHLLOKOSA-N 0 0 321.446 3.072 10 70 DGIERN CCC[C@@]1(C)CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000159920353 432701697 /nfs/dbraw/zinc/70/16/97/432701697.db2.gz JZSKQLIXLLUQNX-KRWDZBQOSA-N 0 0 300.406 3.011 10 70 DGIERN CCCC[C@H](COC)NC(=O)Cc1c(Cl)cccc1OC ZINC000160036661 432705241 /nfs/dbraw/zinc/70/52/41/432705241.db2.gz 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/nfs/dbraw/zinc/71/91/66/432719166.db2.gz HMHFDOIDTHEOLS-UHFFFAOYSA-N 0 0 313.401 3.218 10 70 DGIERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000160411931 432719403 /nfs/dbraw/zinc/71/94/03/432719403.db2.gz PXDWOENKTQQFNV-CJNGLKHVSA-N 0 0 317.433 3.201 10 70 DGIERN C[C@@H](CO)N(C)C(=O)c1ccc(C2SCCCS2)cc1 ZINC000160505669 432724747 /nfs/dbraw/zinc/72/47/47/432724747.db2.gz ILIOQSXWCKTCQM-NSHDSACASA-N 0 0 311.472 3.008 10 70 DGIERN C[C@H]1CO[C@@H](c2ccccc2)CN1Cc1cnc2ccccn12 ZINC000159635859 432690196 /nfs/dbraw/zinc/69/01/96/432690196.db2.gz UYHCQNZXNWOQLZ-MAUKXSAKSA-N 0 0 307.397 3.296 10 70 DGIERN COc1cc(NC(=O)NCCC2=CCCC2)ccc1NC(C)=O ZINC000160877083 432748059 /nfs/dbraw/zinc/74/80/59/432748059.db2.gz CSUFMEFPMBVIIZ-UHFFFAOYSA-N 0 0 317.389 3.276 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1)c1nccs1 ZINC000161136518 432760760 /nfs/dbraw/zinc/76/07/60/432760760.db2.gz GGLPDUXLBSVWBE-FZMZJTMJSA-N 0 0 319.430 3.220 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cccc3c2OCO3)n1 ZINC000161137154 432762009 /nfs/dbraw/zinc/76/20/09/432762009.db2.gz MUPSKARQGOVVAA-UHFFFAOYSA-N 0 0 321.336 3.162 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174569 432765493 /nfs/dbraw/zinc/76/54/93/432765493.db2.gz WOWSHQQDDJQGGW-ZFWWWQNUSA-N 0 0 317.458 3.197 10 70 DGIERN O=C(CCc1ccc(F)cc1)N1CCO[C@@H](c2cccs2)C1 ZINC000161229563 432768104 /nfs/dbraw/zinc/76/81/04/432768104.db2.gz SYLXDYXZUIWCET-OAHLLOKOSA-N 0 0 319.401 3.420 10 70 DGIERN COc1cccc([C@H]2CCCN2C(=O)[C@@H](C)C2CCOCC2)c1 ZINC000161260015 432769684 /nfs/dbraw/zinc/76/96/84/432769684.db2.gz DQLVJHAXUZXUQC-KBXCAEBGSA-N 0 0 317.429 3.421 10 70 DGIERN CCn1cnnc1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000161268922 432770218 /nfs/dbraw/zinc/77/02/18/432770218.db2.gz DWEKJSRHKVPXLZ-CYBMUJFWSA-N 0 0 319.478 3.258 10 70 DGIERN COc1ccc(-c2noc(CSCc3cscn3)n2)cn1 ZINC000161313082 432773518 /nfs/dbraw/zinc/77/35/18/432773518.db2.gz BRYWPZUSQTURMC-UHFFFAOYSA-N 0 0 320.399 3.030 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cc(Cl)ccn2)n1 ZINC000161343151 432774130 /nfs/dbraw/zinc/77/41/30/432774130.db2.gz IGBHJCSSALEYLU-UHFFFAOYSA-N 0 0 312.760 3.481 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cccnc2Cl)n1 ZINC000161373773 432775854 /nfs/dbraw/zinc/77/58/54/432775854.db2.gz ODRVYXPATNSOHN-UHFFFAOYSA-N 0 0 312.760 3.481 10 70 DGIERN CCC[C@@H](NC(=O)[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000161384738 432776687 /nfs/dbraw/zinc/77/66/87/432776687.db2.gz ZGWLGHXBPGYJGV-HUUCEWRRSA-N 0 0 321.417 3.001 10 70 DGIERN COCCC1(C(=O)N2CCO[C@@H](c3cccs3)C2)CCCC1 ZINC000161441117 432779828 /nfs/dbraw/zinc/77/98/28/432779828.db2.gz DUDCWVMSRQYXOX-CQSZACIVSA-N 0 0 323.458 3.245 10 70 DGIERN CCC[C@@H](C(=O)N[C@H](C)c1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161453814 432779982 /nfs/dbraw/zinc/77/99/82/432779982.db2.gz JUWMGRSHBNCZRR-RISCZKNCSA-N 0 0 314.376 3.196 10 70 DGIERN CCC(CC)CNC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000160550744 432727283 /nfs/dbraw/zinc/72/72/83/432727283.db2.gz JWNXHBDOUJJNLP-OAHLLOKOSA-N 0 0 306.454 3.320 10 70 DGIERN CCC[C@@H](NC(=O)c1ccc(SC)o1)C(=O)OC(C)(C)C ZINC000161472556 432781594 /nfs/dbraw/zinc/78/15/94/432781594.db2.gz PARLAKMKBHORAX-SNVBAGLBSA-N 0 0 313.419 3.242 10 70 DGIERN CC[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1c(C)noc1C ZINC000160610589 432731740 /nfs/dbraw/zinc/73/17/40/432731740.db2.gz FNOQHFIBIUHFPP-OVWKYPIYSA-N 0 0 314.385 3.423 10 70 DGIERN CS[C@@H](C)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160628675 432731884 /nfs/dbraw/zinc/73/18/84/432731884.db2.gz FIGXITCTJZGXRQ-CMPLNLGQSA-N 0 0 320.380 3.211 10 70 DGIERN COc1c(CN(C)Cc2ccc(C(C)C)cc2)c(C)nn1C ZINC000160667889 432734373 /nfs/dbraw/zinc/73/43/73/432734373.db2.gz DPCWNLRDTUBTTH-UHFFFAOYSA-N 0 0 301.434 3.493 10 70 DGIERN CCNC(=O)c1ccc(C)c(NC(=O)NCCC2=CCCC2)c1 ZINC000160730991 432737508 /nfs/dbraw/zinc/73/75/08/432737508.db2.gz SSCOQPLQOYHJCF-UHFFFAOYSA-N 0 0 315.417 3.367 10 70 DGIERN Cc1ccn(-c2ccccc2CNC(=O)NCC2(C3CC3)CC2)n1 ZINC000160714338 432737954 /nfs/dbraw/zinc/73/79/54/432737954.db2.gz RLHSWRNLWWXKOI-UHFFFAOYSA-N 0 0 324.428 3.170 10 70 DGIERN Cc1cc([C@@H]2CN(C(=O)NCc3ccco3)CCO2)ccc1F ZINC000160741258 432739361 /nfs/dbraw/zinc/73/93/61/432739361.db2.gz QHJNZOWZVYFMLK-INIZCTEOSA-N 0 0 318.348 3.010 10 70 DGIERN O[C@]12CCCC[C@@H]1CN(c1cc(Cl)nc(C3CC3)n1)CC2 ZINC000160866189 432746294 /nfs/dbraw/zinc/74/62/94/432746294.db2.gz QRQXOZROINLEQA-WBMJQRKESA-N 0 0 307.825 3.139 10 70 DGIERN CCC[C@H](NC(=O)[C@@H](C)c1cccs1)C(=O)OC(C)(C)C ZINC000161507033 432783116 /nfs/dbraw/zinc/78/31/16/432783116.db2.gz RILKHSOPMKKTRD-RYUDHWBXSA-N 0 0 311.447 3.478 10 70 DGIERN CCC[C@@H](NC(=O)[C@@H](C)c1cccs1)C(=O)OC(C)(C)C ZINC000161507152 432783974 /nfs/dbraw/zinc/78/39/74/432783974.db2.gz RILKHSOPMKKTRD-NWDGAFQWSA-N 0 0 311.447 3.478 10 70 DGIERN C[C@H]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)c2ccccc21 ZINC000159610778 292796296 /nfs/dbraw/zinc/79/62/96/292796296.db2.gz OUFIUSFYPMXKFU-GWCFXTLKSA-N 0 0 314.410 3.215 10 70 DGIERN Cc1cc(OCc2ccccc2OCC(F)(F)F)nn1C ZINC000159728100 292798959 /nfs/dbraw/zinc/79/89/59/292798959.db2.gz KFUBXDJEDUIQMJ-UHFFFAOYSA-N 0 0 300.280 3.249 10 70 DGIERN Cc1ccccc1CCCSC[C@H](C)CS(C)(=O)=O ZINC000159832288 292801634 /nfs/dbraw/zinc/80/16/34/292801634.db2.gz PFYOTYJMZUMYKL-ZDUSSCGKSA-N 0 0 300.489 3.342 10 70 DGIERN C[C@]1(c2ccccc2)CN(C(=O)NC2CCCCC2)CCO1 ZINC000160193491 292809537 /nfs/dbraw/zinc/80/95/37/292809537.db2.gz CSDURPXIZBOHQI-GOSISDBHSA-N 0 0 302.418 3.276 10 70 DGIERN CCc1cccc(CC(=O)Nc2nnc(-c3ccccn3)s2)c1 ZINC000160380070 292813578 /nfs/dbraw/zinc/81/35/78/292813578.db2.gz MLQKRJQZLIFXLX-UHFFFAOYSA-N 0 0 324.409 3.344 10 70 DGIERN CSc1ccc(NC(=O)[C@@H](C)Oc2cccc(CO)c2)cc1 ZINC000161103702 292828012 /nfs/dbraw/zinc/82/80/12/292828012.db2.gz PXPPOPIOSTYMSV-GFCCVEGCSA-N 0 0 317.410 3.307 10 70 DGIERN CSc1ccccc1NC(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000161260056 292832112 /nfs/dbraw/zinc/83/21/12/292832112.db2.gz TYKYHRRQRYIQQP-LBPRGKRZSA-N 0 0 317.410 3.307 10 70 DGIERN Fc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160592441 303134342 /nfs/dbraw/zinc/13/43/42/303134342.db2.gz OCNNXSABOWHWMD-INIZCTEOSA-N 0 0 314.408 3.481 10 70 DGIERN CSCCCC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000161298032 525384207 /nfs/dbraw/zinc/38/42/07/525384207.db2.gz HFOJKWGYKMYYFJ-LBPRGKRZSA-N 0 0 313.850 3.463 10 70 DGIERN Cc1ccc([C@@H](C)NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)o1 ZINC000159825424 525714353 /nfs/dbraw/zinc/71/43/53/525714353.db2.gz ZWAQYRYJAHAEEK-SNVBAGLBSA-N 0 0 314.316 3.060 10 70 DGIERN CSc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1F ZINC000161397340 525927053 /nfs/dbraw/zinc/92/70/53/525927053.db2.gz UZZAWYNMACNHQM-CQSZACIVSA-N 0 0 319.405 3.258 10 70 DGIERN CC(C)(C)c1csc([C@@H]2CN(CCOCC3CC3)CCO2)n1 ZINC000160044244 526837604 /nfs/dbraw/zinc/83/76/04/526837604.db2.gz DZBDVEWHQRGACD-AWEZNQCLSA-N 0 0 324.490 3.241 10 70 DGIERN CC(C)(C)c1csc([C@H]2CN(CCOCC3CC3)CCO2)n1 ZINC000160044379 526837820 /nfs/dbraw/zinc/83/78/20/526837820.db2.gz DZBDVEWHQRGACD-CQSZACIVSA-N 0 0 324.490 3.241 10 70 DGIERN CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000159477875 546053679 /nfs/dbraw/zinc/05/36/79/546053679.db2.gz IAPVWJQFLOPNLA-RWMBFGLXSA-N 0 0 322.371 3.318 10 70 DGIERN Cc1noc(C)c1[C@@H](C)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161370583 546068127 /nfs/dbraw/zinc/06/81/27/546068127.db2.gz AATHJQIGKWYMND-MFKMUULPSA-N 0 0 320.414 3.057 10 70 DGIERN Cc1noc(C)c1[C@H](C)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161370705 546068518 /nfs/dbraw/zinc/06/85/18/546068518.db2.gz AATHJQIGKWYMND-GWCFXTLKSA-N 0 0 320.414 3.057 10 70 DGIERN Fc1cc(F)c2nccc(N[C@@H]3CCCn4ncnc43)c2c1 ZINC000159892712 282963636 /nfs/dbraw/zinc/96/36/36/282963636.db2.gz IAOIZWZGNREXON-CYBMUJFWSA-N 0 0 301.300 3.052 10 70 DGIERN C[C@H]1Oc2ccc(NC(=O)NCCC3=CCCC3)cc2NC1=O ZINC000160443554 197411488 /nfs/dbraw/zinc/41/14/88/197411488.db2.gz PNMKRTZNJISTNW-LLVKDONJSA-N 0 0 315.373 3.028 10 70 DGIERN CCCc1nnc(NC[C@@](C)(O)c2ccccc2Cl)s1 ZINC000160188780 197392035 /nfs/dbraw/zinc/39/20/35/197392035.db2.gz GWVLOGXDNTUYHU-CQSZACIVSA-N 0 0 311.838 3.464 10 70 DGIERN O=S(=O)(Cc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC000160041557 197382126 /nfs/dbraw/zinc/38/21/26/197382126.db2.gz YASMGCIXGTZZSJ-UHFFFAOYSA-N 0 0 316.422 3.447 10 70 DGIERN CC[C@@H](C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000160078822 197384430 /nfs/dbraw/zinc/38/44/30/197384430.db2.gz QLZCVFQOLMHOCW-RHSMWYFYSA-N 0 0 315.392 3.069 10 70 DGIERN Cc1cccc([C@@H](NC(=O)C[C@@H](O)C(C)C)c2ccccn2)c1 ZINC000159896648 197371537 /nfs/dbraw/zinc/37/15/37/197371537.db2.gz BBNKNMWAXOSZAZ-IEBWSBKVSA-N 0 0 312.413 3.003 10 70 DGIERN COCc1ccc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)o1 ZINC000159815714 197366027 /nfs/dbraw/zinc/36/60/27/197366027.db2.gz XELGZZKAGNBUKI-MRXNPFEDSA-N 0 0 315.369 3.412 10 70 DGIERN O=C(Nc1ccccc1SC1CCCC1)NC1(CO)CC1 ZINC000160663526 400735205 /nfs/dbraw/zinc/73/52/05/400735205.db2.gz LLRLWYJWEAPPPN-UHFFFAOYSA-N 0 0 306.431 3.368 10 70 DGIERN COc1cccc(F)c1[C@@H](C)NCC(=O)Nc1ccccc1 ZINC000160787855 292821750 /nfs/dbraw/zinc/82/17/50/292821750.db2.gz NQVQCPDMWAIKER-GFCCVEGCSA-N 0 0 302.349 3.124 10 70 DGIERN CCc1noc(C)c1NC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000160449202 228246047 /nfs/dbraw/zinc/24/60/47/228246047.db2.gz LKAVXLRVDCGNJR-UHFFFAOYSA-N 0 0 315.373 3.246 10 70 DGIERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159774977 278372344 /nfs/dbraw/zinc/37/23/44/278372344.db2.gz AWYSMOKLZCOXGK-ZWNOBZJWSA-N 0 0 321.222 3.226 10 70 DGIERN CC[C@@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159721477 432693680 /nfs/dbraw/zinc/69/36/80/432693680.db2.gz VGHHTCHMPXBOCY-LLVKDONJSA-N 0 0 316.323 3.285 10 70 DGIERN CN(c1ncc(Cl)cc1Br)C1CCOCC1 ZINC000159740608 432693949 /nfs/dbraw/zinc/69/39/49/432693949.db2.gz BEPGCMJCYJHDJA-UHFFFAOYSA-N 0 0 305.603 3.113 10 70 DGIERN C[C@H](CS[C@H](C)c1cc(F)ccc1F)CS(C)(=O)=O ZINC000159736124 432694360 /nfs/dbraw/zinc/69/43/60/432694360.db2.gz AXWJEFZQBHDMSE-NXEZZACHSA-N 0 0 308.415 3.440 10 70 DGIERN CCc1oc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C ZINC000159836146 432697262 /nfs/dbraw/zinc/69/72/62/432697262.db2.gz HLIMVGPYLOSDHV-SNVBAGLBSA-N 0 0 314.341 3.122 10 70 DGIERN CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nccs1 ZINC000159933261 432700672 /nfs/dbraw/zinc/70/06/72/432700672.db2.gz URJUMQOKWGFRJP-NSHDSACASA-N 0 0 316.835 3.226 10 70 DGIERN CC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)c1nccs1 ZINC000159927838 432701292 /nfs/dbraw/zinc/70/12/92/432701292.db2.gz ZKRDFTJLKGEZMI-LLVKDONJSA-N 0 0 314.407 3.020 10 70 DGIERN CC(=O)Nc1nc(CN(CCc2nccs2)C(C)C)cs1 ZINC000159955001 432702839 /nfs/dbraw/zinc/70/28/39/432702839.db2.gz FUPVUCSLNUURNG-UHFFFAOYSA-N 0 0 324.475 3.011 10 70 DGIERN CCCCOC(=O)[C@H](C)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000160012947 432705373 /nfs/dbraw/zinc/70/53/73/432705373.db2.gz UOSLDCABLBPZOB-QWHCGFSZSA-N 0 0 309.410 3.062 10 70 DGIERN O=C(N[C@H]1CCCc2sccc21)[C@H]1CCCc2n[nH]cc21 ZINC000160093063 432706013 /nfs/dbraw/zinc/70/60/13/432706013.db2.gz HOGZTOQGXOGOLD-GWCFXTLKSA-N 0 0 301.415 3.085 10 70 DGIERN CCOC(=O)C[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000160092447 432706356 /nfs/dbraw/zinc/70/63/56/432706356.db2.gz CLMXLMMEXYKEMC-LLVKDONJSA-N 0 0 319.332 3.157 10 70 DGIERN O=C(NC1(CO)CC1)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000160357469 432714963 /nfs/dbraw/zinc/71/49/63/432714963.db2.gz ZTOXPJKMCCHLIE-UHFFFAOYSA-N 0 0 319.307 3.012 10 70 DGIERN C[C@H](C(=O)NCCCn1ccc2ccccc21)C1CCOCC1 ZINC000159450551 432683900 /nfs/dbraw/zinc/68/39/00/432683900.db2.gz FUAFOJYVQPXVOX-HNNXBMFYSA-N 0 0 314.429 3.210 10 70 DGIERN CCC1CCC(NC(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000159537263 432686307 /nfs/dbraw/zinc/68/63/07/432686307.db2.gz TUMKIMNAPHHCCZ-UHFFFAOYSA-N 0 0 305.422 3.355 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)c2ccc(C(N)=O)s2)c2ccccc21 ZINC000159610650 432688000 /nfs/dbraw/zinc/68/80/00/432688000.db2.gz OUFIUSFYPMXKFU-MFKMUULPSA-N 0 0 314.410 3.215 10 70 DGIERN CCCCc1nnc(NC(=O)c2c(C)[nH]nc2C(C)C)s1 ZINC000159610537 432688969 /nfs/dbraw/zinc/68/89/69/432688969.db2.gz NCLIZBUBAXBUIA-UHFFFAOYSA-N 0 0 307.423 3.288 10 70 DGIERN CCCN(CCC)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159636608 432691051 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CCC(C)(CC)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159524884 197360422 /nfs/dbraw/zinc/36/04/22/197360422.db2.gz QUABZVQKCIABGO-SECBINFHSA-N 0 0 317.355 3.228 10 70 DGIERN CCN(CCc1nccs1)Cc1csc([C@H](C)OC)n1 ZINC000159419660 197352044 /nfs/dbraw/zinc/35/20/44/197352044.db2.gz OCXMYEJPXVJMRQ-NSHDSACASA-N 0 0 311.476 3.372 10 70 DGIERN O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc2ncccc21 ZINC000159377244 197348456 /nfs/dbraw/zinc/34/84/56/197348456.db2.gz ZQJTXBMRZPJYBP-CQSZACIVSA-N 0 0 310.397 3.456 10 70 DGIERN COCCOc1cccc(CC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000161171127 533264583 /nfs/dbraw/zinc/26/45/83/533264583.db2.gz QIQXCOHYVWSSPE-CQSZACIVSA-N 0 0 317.385 3.033 10 70 DGIERN O=C(NCCCOCC(F)(F)F)[C@H]1C[C@H]1C1CCCCC1 ZINC000160260005 400733922 /nfs/dbraw/zinc/73/39/22/400733922.db2.gz MDUDXLRATGBTTG-STQMWFEESA-N 0 0 307.356 3.288 10 70 DGIERN O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000160509476 400735290 /nfs/dbraw/zinc/73/52/90/400735290.db2.gz UEMONAIGCPXRDO-MLHJIOFPSA-N 0 0 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/nfs/dbraw/zinc/71/61/12/432716112.db2.gz FWPIQRGXSVYHQU-UHFFFAOYSA-N 0 0 319.474 3.365 10 70 DGIERN CCn1cc(C2CCN(Cc3nc4ccccc4n3C)CC2)cn1 ZINC000160466581 432723062 /nfs/dbraw/zinc/72/30/62/432723062.db2.gz CZESAPUQGLVCKL-UHFFFAOYSA-N 0 0 323.444 3.169 10 70 DGIERN CCc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000160480647 432723514 /nfs/dbraw/zinc/72/35/14/432723514.db2.gz UXBCZKDZVHCVEW-DYVFJYSZSA-N 0 0 322.474 3.147 10 70 DGIERN CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159382769 432682332 /nfs/dbraw/zinc/68/23/32/432682332.db2.gz WGLTVNKKQWGAQX-CHWSQXEVSA-N 0 0 324.856 3.001 10 70 DGIERN Cc1cccc(CNC(=O)C[C@@H](C)c2ccc(F)cc2F)n1 ZINC000159554413 432687385 /nfs/dbraw/zinc/68/73/85/432687385.db2.gz RFVYIFZBGUYRAS-LLVKDONJSA-N 0 0 304.340 3.478 10 70 DGIERN C[C@@H](CSCCOc1ccccc1Cl)CS(C)(=O)=O ZINC000159635968 432689883 /nfs/dbraw/zinc/68/98/83/432689883.db2.gz WNRICXZVGIJZCF-NSHDSACASA-N 0 0 322.879 3.133 10 70 DGIERN CC(C)CCn1ccc(NC(=O)N[C@H]2COc3ccccc32)n1 ZINC000161105169 432760432 /nfs/dbraw/zinc/76/04/32/432760432.db2.gz RTNQEPSNBMLBJK-AWEZNQCLSA-N 0 0 314.389 3.184 10 70 DGIERN C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161259108 432769143 /nfs/dbraw/zinc/76/91/43/432769143.db2.gz CHABSYUAJNYAEW-HIFRSBDPSA-N 0 0 317.410 3.116 10 70 DGIERN CCC[C@H](NC(=O)c1ccc(C(C)=O)cc1)C(=O)OC(C)(C)C ZINC000161308656 432770877 /nfs/dbraw/zinc/77/08/77/432770877.db2.gz KXMWGGWDZWTJRS-HNNXBMFYSA-N 0 0 319.401 3.129 10 70 DGIERN CCC[C@H](NC(=O)c1cc(C)ccc1F)C(=O)OC(C)(C)C ZINC000161307359 432771576 /nfs/dbraw/zinc/77/15/76/432771576.db2.gz QPCWMDXEMPHFBL-AWEZNQCLSA-N 0 0 309.381 3.374 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cnn(C(C)(C)C)c2)n1 ZINC000161386317 432775705 /nfs/dbraw/zinc/77/57/05/432775705.db2.gz BXFOURUTGBKFMZ-UHFFFAOYSA-N 0 0 323.400 3.385 10 70 DGIERN CCCCCCOCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161431927 432777941 /nfs/dbraw/zinc/77/79/41/432777941.db2.gz MQGZLFHMDZRVGP-AWEZNQCLSA-N 0 0 311.447 3.245 10 70 DGIERN CCc1cc(C(=O)N2CCCC[C@H]2c2ncon2)oc1CC ZINC000161403879 432778484 /nfs/dbraw/zinc/77/84/84/432778484.db2.gz CTCDRQZXGPCYNB-LBPRGKRZSA-N 0 0 303.362 3.155 10 70 DGIERN CCN(Cc1cnn(C)c1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000161458432 432780260 /nfs/dbraw/zinc/78/02/60/432780260.db2.gz MIHAUCSUBOVBIQ-IBGZPJMESA-N 0 0 311.429 3.063 10 70 DGIERN CS[C@H](C)CNC(=O)NCc1csc(-c2ccccc2)n1 ZINC000160671798 432734571 /nfs/dbraw/zinc/73/45/71/432734571.db2.gz DMBSXFHHOPLVHA-LLVKDONJSA-N 0 0 321.471 3.361 10 70 DGIERN Clc1cccnc1N1CC[C@H](Nc2ccnc(C3CC3)n2)C1 ZINC000160757078 432739555 /nfs/dbraw/zinc/73/95/55/432739555.db2.gz CHYWPTSCFSBUDP-LBPRGKRZSA-N 0 0 315.808 3.093 10 70 DGIERN CC(C)c1nccc(N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000160823502 432744184 /nfs/dbraw/zinc/74/41/84/432744184.db2.gz SOICIWBHBKGXCO-GFCCVEGCSA-N 0 0 317.824 3.339 10 70 DGIERN COc1cc(OC)c(CN(C)Cc2ccc(C)o2)c(OC)c1 ZINC000160865957 432745703 /nfs/dbraw/zinc/74/57/03/432745703.db2.gz PNZIJHCCQWNJTR-UHFFFAOYSA-N 0 0 305.374 3.246 10 70 DGIERN C[C@@H](SC[C@H](C)CS(C)(=O)=O)c1cc(F)ccc1F ZINC000159735976 292799416 /nfs/dbraw/zinc/79/94/16/292799416.db2.gz AXWJEFZQBHDMSE-VHSXEESVSA-N 0 0 308.415 3.440 10 70 DGIERN CCOC(=O)C1(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CCC1 ZINC000159786980 292800167 /nfs/dbraw/zinc/80/01/67/292800167.db2.gz HTMXBXDSGOMXLG-XJKSGUPXSA-N 0 0 315.413 3.475 10 70 DGIERN COCc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)o1 ZINC000159876530 292802133 /nfs/dbraw/zinc/80/21/33/292802133.db2.gz YOACFLDPKGVJHB-UHFFFAOYSA-N 0 0 318.354 3.297 10 70 DGIERN CCc1cccc(CC(=O)N[C@@H](COC)c2ccc(C)o2)c1 ZINC000159898871 292802953 /nfs/dbraw/zinc/80/29/53/292802953.db2.gz PGLCDIAOTKZMMW-INIZCTEOSA-N 0 0 301.386 3.197 10 70 DGIERN Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCCc3sccc32)n1 ZINC000160083538 292806944 /nfs/dbraw/zinc/80/69/44/292806944.db2.gz OTDMWDGOJQMHMU-OCCSQVGLSA-N 0 0 303.431 3.316 10 70 DGIERN CCCCCNC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160266974 292811441 /nfs/dbraw/zinc/81/14/41/292811441.db2.gz GFCJXDTXGMPVRM-CQSZACIVSA-N 0 0 300.406 3.423 10 70 DGIERN O=C(NC1(CO)CC1)c1ccc(CSc2ccccc2)cc1 ZINC000160312576 292812317 /nfs/dbraw/zinc/81/23/17/292812317.db2.gz FHKDRFRJFYAROR-UHFFFAOYSA-N 0 0 313.422 3.234 10 70 DGIERN CC[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065105 292827467 /nfs/dbraw/zinc/82/74/67/292827467.db2.gz GMARQCHYBZCPGR-JQWIXIFHSA-N 0 0 314.414 3.182 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cc(Cl)cn2C)n1 ZINC000161117714 292828893 /nfs/dbraw/zinc/82/88/93/292828893.db2.gz LRDGESADMGVIQJ-UHFFFAOYSA-N 0 0 314.776 3.425 10 70 DGIERN CCCC[C@@H](NC(=O)c1scnc1C)C(=O)OC(C)(C)C ZINC000161210090 292831442 /nfs/dbraw/zinc/83/14/42/292831442.db2.gz MFXANPRCQFGVSC-LLVKDONJSA-N 0 0 312.435 3.082 10 70 DGIERN O=C(CCCNC(=O)NC1CCCCC1)NCCC1=CCCC1 ZINC000161257995 292832163 /nfs/dbraw/zinc/83/21/63/292832163.db2.gz FDLBKNNOYDEKIX-UHFFFAOYSA-N 0 0 321.465 3.015 10 70 DGIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1CCC(C)(C)CC1)CC2 ZINC000160582142 519871170 /nfs/dbraw/zinc/87/11/70/519871170.db2.gz VVRNWDLZDWARFT-AWEZNQCLSA-N 0 0 318.465 3.049 10 70 DGIERN Cc1nc(NC(=O)Cc2cc(F)ccc2F)cc(C2CC2)n1 ZINC000160166270 534464827 /nfs/dbraw/zinc/46/48/27/534464827.db2.gz WVKKVWAOHANOHY-UHFFFAOYSA-N 0 0 303.312 3.122 10 70 DGIERN CCC(CC)(CC)CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000159428774 521391590 /nfs/dbraw/zinc/39/15/90/521391590.db2.gz DWYPOBBWQONECQ-CQSZACIVSA-N 0 0 306.454 3.135 10 70 DGIERN Cc1ccc(-c2nc(NC(=O)c3cccc4ncccc43)n[nH]2)o1 ZINC000160304996 525851540 /nfs/dbraw/zinc/85/15/40/525851540.db2.gz RPAIGDOTIQXRAA-UHFFFAOYSA-N 0 0 319.324 3.174 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)o1 ZINC000159825581 525908993 /nfs/dbraw/zinc/90/89/93/525908993.db2.gz ZWAQYRYJAHAEEK-JTQLQIEISA-N 0 0 314.316 3.060 10 70 DGIERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000160316926 526212394 /nfs/dbraw/zinc/21/23/94/526212394.db2.gz JMINDUWBSIVYSG-CZUORRHYSA-N 0 0 315.388 3.447 10 70 DGIERN CCCc1cc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)[nH]n1 ZINC000159679356 546054853 /nfs/dbraw/zinc/05/48/53/546054853.db2.gz RJHQUBRGYTYMLQ-ZDUSSCGKSA-N 0 0 323.400 3.039 10 70 DGIERN CCc1cc(C)c(C(=O)NC2(c3noc(C)n3)CCCC2)o1 ZINC000159764984 546056203 /nfs/dbraw/zinc/05/62/03/546056203.db2.gz PPIAPHSSBCPABO-UHFFFAOYSA-N 0 0 303.362 3.041 10 70 DGIERN CCc1cc(C(=O)NC2(c3noc(C)n3)CCCC2)oc1CC ZINC000159764354 546056303 /nfs/dbraw/zinc/05/63/03/546056303.db2.gz RUNYASDPJMZNSN-UHFFFAOYSA-N 0 0 317.389 3.295 10 70 DGIERN Cc1nc(NC(=O)Cc2c[nH]c3ccccc23)cc(C2CC2)n1 ZINC000159908164 546057640 /nfs/dbraw/zinc/05/76/40/546057640.db2.gz AWJSJMADLSWKLF-UHFFFAOYSA-N 0 0 306.369 3.325 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2csnn2)cc1 ZINC000159532992 186125775 /nfs/dbraw/zinc/12/57/75/186125775.db2.gz FHNAREITBVREBQ-LLVKDONJSA-N 0 0 305.403 3.064 10 70 DGIERN O=C(CCc1ccc(F)cc1)N1CCO[C@H](c2cccs2)C1 ZINC000161229440 197475998 /nfs/dbraw/zinc/47/59/98/197475998.db2.gz SYLXDYXZUIWCET-HNNXBMFYSA-N 0 0 319.401 3.420 10 70 DGIERN CC(C)[C@@H](O)CC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000159782467 197364789 /nfs/dbraw/zinc/36/47/89/197364789.db2.gz QULPJTCTEKBLOS-INIZCTEOSA-N 0 0 300.358 3.219 10 70 DGIERN C[C@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1F ZINC000159786374 197364299 /nfs/dbraw/zinc/36/42/99/197364299.db2.gz LQIWLRYAAFNYKN-VIFPVBQESA-N 0 0 301.287 3.429 10 70 DGIERN CCN(CCC(C)=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159445241 197353971 /nfs/dbraw/zinc/35/39/71/197353971.db2.gz KOAGEWUVSNYBGQ-UHFFFAOYSA-N 0 0 317.216 3.233 10 70 DGIERN NC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000159414345 197351497 /nfs/dbraw/zinc/35/14/97/197351497.db2.gz QYOJGOJOEVGKNS-HZPDHXFCSA-N 0 0 315.417 3.010 10 70 DGIERN O=C(NCCCOCC(F)(F)F)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160260146 400733475 /nfs/dbraw/zinc/73/34/75/400733475.db2.gz MDUDXLRATGBTTG-OLZOCXBDSA-N 0 0 307.356 3.288 10 70 DGIERN CCc1cc(NC(=O)[C@@H](C)CSCc2ccccc2)n[nH]1 ZINC000160584637 400735193 /nfs/dbraw/zinc/73/51/93/400735193.db2.gz POFMVMGUPMBHND-LBPRGKRZSA-N 0 0 303.431 3.480 10 70 DGIERN O=S(=O)(NCC1(C2CC2)CC1)c1cccc2ccccc21 ZINC000160132622 228245405 /nfs/dbraw/zinc/24/54/05/228245405.db2.gz WYIDVWBPSQIPFX-UHFFFAOYSA-N 0 0 301.411 3.308 10 70 DGIERN COCCC1(C(=O)N(C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000161346849 228251859 /nfs/dbraw/zinc/25/18/59/228251859.db2.gz MCPFIVDMHGKVOA-UHFFFAOYSA-N 0 0 305.418 3.087 10 70 DGIERN CC1(C)C[C@H](NC(=O)CCc2ccncc2)c2ccccc2O1 ZINC000159884341 276146202 /nfs/dbraw/zinc/14/62/02/276146202.db2.gz WRNICVIVTYLGQX-INIZCTEOSA-N 0 0 310.397 3.433 10 70 DGIERN C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccccc1-n1cccn1 ZINC000159724879 432694098 /nfs/dbraw/zinc/69/40/98/432694098.db2.gz MTZDLWJUVWPIGD-PWSUYJOCSA-N 0 0 324.211 3.243 10 70 DGIERN C[C@H](N[C@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159775123 432695534 /nfs/dbraw/zinc/69/55/34/432695534.db2.gz AWYSMOKLZCOXGK-GWCFXTLKSA-N 0 0 321.222 3.226 10 70 DGIERN CCOC(=O)C(C)(C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159776617 432696139 /nfs/dbraw/zinc/69/61/39/432696139.db2.gz TXWCFFUDVYRDNV-UHFFFAOYSA-N 0 0 319.376 3.031 10 70 DGIERN O=C(N[C@@H]1CCOC2(CCCC2)C1)C1(c2ccc(F)cc2)CC1 ZINC000159842807 432697327 /nfs/dbraw/zinc/69/73/27/432697327.db2.gz QPEXFAZLQSHYQZ-MRXNPFEDSA-N 0 0 317.404 3.465 10 70 DGIERN O=C(NCCCNc1ccnc2c(F)cc(F)cc12)C1CCC1 ZINC000159832643 432698217 /nfs/dbraw/zinc/69/82/17/432698217.db2.gz OJFDSZVOUKZZEN-UHFFFAOYSA-N 0 0 319.355 3.231 10 70 DGIERN Clc1ccc(Cl)c(CN2CCC(n3cncn3)CC2)c1 ZINC000159910811 432700550 /nfs/dbraw/zinc/70/05/50/432700550.db2.gz WSZNDEYHOJIXOW-UHFFFAOYSA-N 0 0 311.216 3.422 10 70 DGIERN Fc1cc(F)c2nccc(NCCCO[C@H]3CCOC3)c2c1 ZINC000159937592 432700650 /nfs/dbraw/zinc/70/06/50/432700650.db2.gz YJPDLMRCUMUBPN-LBPRGKRZSA-N 0 0 308.328 3.121 10 70 DGIERN CC[C@H](NS(=O)(=O)c1cc(C)sc1C)c1nccs1 ZINC000159941374 432701172 /nfs/dbraw/zinc/70/11/72/432701172.db2.gz WMLAYFFSBGUKRI-JTQLQIEISA-N 0 0 316.473 3.251 10 70 DGIERN CN(C)c1ccc(C(=O)NCCc2cc(F)ccc2F)c(F)c1 ZINC000160018055 432705198 /nfs/dbraw/zinc/70/51/98/432705198.db2.gz ZNUOQWNRRXLHDT-UHFFFAOYSA-N 0 0 322.330 3.142 10 70 DGIERN O=C(NCc1ccnc(-n2cccn2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160174430 432710011 /nfs/dbraw/zinc/71/00/11/432710011.db2.gz VRBGMWUYXWRVNM-DLBZAZTESA-N 0 0 324.428 3.100 10 70 DGIERN CC(=O)c1csc(C(=O)NCc2nc3c(cccc3C)[nH]2)c1 ZINC000160391095 432717780 /nfs/dbraw/zinc/71/77/80/432717780.db2.gz ROJPTYKJAILUCN-UHFFFAOYSA-N 0 0 313.382 3.065 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)c2ccc(C(=O)NC(C)C)cc2)o1 ZINC000160392859 432718271 /nfs/dbraw/zinc/71/82/71/432718271.db2.gz MLJOJAMRMTTYFD-ZDUSSCGKSA-N 0 0 314.385 3.217 10 70 DGIERN C[C@@H](C(=O)NCCCO[C@@H](C)c1ccccc1)C1CCOCC1 ZINC000160409787 432719684 /nfs/dbraw/zinc/71/96/84/432719684.db2.gz COVCSXBDRXIVQM-CVEARBPZSA-N 0 0 319.445 3.333 10 70 DGIERN COc1ccc2c(c1)CCN2C(=O)c1cnn(CC(C)C)c1C ZINC000160422978 432719688 /nfs/dbraw/zinc/71/96/88/432719688.db2.gz YJINNLYLPORMQM-UHFFFAOYSA-N 0 0 313.401 3.059 10 70 DGIERN C[C@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000160434102 432721340 /nfs/dbraw/zinc/72/13/40/432721340.db2.gz VWDIQWNHIFCODX-HOCLYGCPSA-N 0 0 302.418 3.183 10 70 DGIERN CC(=O)c1ccccc1C(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160519756 432724237 /nfs/dbraw/zinc/72/42/37/432724237.db2.gz HEKPLDIWTVRICB-UHFFFAOYSA-N 0 0 307.353 3.004 10 70 DGIERN CCc1ccc(CC(=O)NCc2cnn(-c3ccccc3)c2)cc1 ZINC000159390585 432681876 /nfs/dbraw/zinc/68/18/76/432681876.db2.gz LTLTWIXCEPDIHE-UHFFFAOYSA-N 0 0 319.408 3.294 10 70 DGIERN O=C(NCCc1cscn1)N1CCC[C@]2(CC=CCC2)C1 ZINC000159458998 432683350 /nfs/dbraw/zinc/68/33/50/432683350.db2.gz HEMAVJXTMJORCL-MRXNPFEDSA-N 0 0 305.447 3.218 10 70 DGIERN CCc1cccc(CC(=O)NC[C@@H](OC)c2ccc(F)cc2)c1 ZINC000159412509 432683829 /nfs/dbraw/zinc/68/38/29/432683829.db2.gz XAQDVYCUTLDVFE-GOSISDBHSA-N 0 0 315.388 3.435 10 70 DGIERN Cc1cccc(CNC(=O)C[C@H](C)c2ccc(F)cc2F)n1 ZINC000159554544 432686254 /nfs/dbraw/zinc/68/62/54/432686254.db2.gz RFVYIFZBGUYRAS-NSHDSACASA-N 0 0 304.340 3.478 10 70 DGIERN C[C@@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)C1CCOCC1 ZINC000160980919 432752764 /nfs/dbraw/zinc/75/27/64/432752764.db2.gz IQJZCRSVFKLJFP-CQSZACIVSA-N 0 0 315.413 3.071 10 70 DGIERN Cc1c(NC(=O)C(=O)N[C@@H](C)C(C)C)cccc1C(F)(F)F ZINC000161081852 432758474 /nfs/dbraw/zinc/75/84/74/432758474.db2.gz AAGOAOQZJCSAPC-JTQLQIEISA-N 0 0 316.323 3.113 10 70 DGIERN CCCC[C@@H](NC(=O)Cc1ccsc1)C(=O)OC(C)(C)C ZINC000161169691 432763866 /nfs/dbraw/zinc/76/38/66/432763866.db2.gz JTUWCHMXMWJTAR-CYBMUJFWSA-N 0 0 311.447 3.307 10 70 DGIERN CCC1CCC(NC(=O)NCCCc2nc(C(C)C)no2)CC1 ZINC000161178510 432765614 /nfs/dbraw/zinc/76/56/14/432765614.db2.gz WRBXAAHFOPBFFC-UHFFFAOYSA-N 0 0 322.453 3.394 10 70 DGIERN C[C@H](Oc1ccccc1)C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161258972 432770377 /nfs/dbraw/zinc/77/03/77/432770377.db2.gz CHABSYUAJNYAEW-ZFWWWQNUSA-N 0 0 317.410 3.116 10 70 DGIERN O=C(c1ccc(F)c(F)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000161295265 432770869 /nfs/dbraw/zinc/77/08/69/432770869.db2.gz GCTFTBDCWPJHAJ-CYBMUJFWSA-N 0 0 309.337 3.240 10 70 DGIERN CC[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(OC)cc1 ZINC000161420082 432778143 /nfs/dbraw/zinc/77/81/43/432778143.db2.gz FTKOJHWLTDYJCO-CXAGYDPISA-N 0 0 305.418 3.325 10 70 DGIERN CC(C)c1nc(CN2CCO[C@H](c3nccs3)C2)cs1 ZINC000161445122 432779217 /nfs/dbraw/zinc/77/92/17/432779217.db2.gz IKLDGXBEBFPTSG-LBPRGKRZSA-N 0 0 309.460 3.297 10 70 DGIERN CCc1nccn1[C@H]1CCCN(C(=O)NCC(CC)CC)C1 ZINC000160558475 432728381 /nfs/dbraw/zinc/72/83/81/432728381.db2.gz KFLHYQJPPJCNKD-HNNXBMFYSA-N 0 0 306.454 3.228 10 70 DGIERN C[C@@H](Nc1cc(Cl)nc(C2CC2)n1)c1nnc2n1CCCC2 ZINC000160601407 432731232 /nfs/dbraw/zinc/73/12/32/432731232.db2.gz UVUILEVNMFRQLQ-SECBINFHSA-N 0 0 318.812 3.108 10 70 DGIERN CCOC(=O)c1cccc(OC(=O)Cc2nc(C)sc2C)c1 ZINC000160657035 432733556 /nfs/dbraw/zinc/73/35/56/432733556.db2.gz RWDZTAFUOIBOMZ-UHFFFAOYSA-N 0 0 319.382 3.085 10 70 DGIERN CS[C@@H](C)CNC(=O)NCc1csc(-c2ccccc2)n1 ZINC000160671672 432734588 /nfs/dbraw/zinc/73/45/88/432734588.db2.gz DMBSXFHHOPLVHA-NSHDSACASA-N 0 0 321.471 3.361 10 70 DGIERN CC[C@@H](O)CCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000160726478 432736994 /nfs/dbraw/zinc/73/69/94/432736994.db2.gz UEVALHHWJJUNRQ-CXAGYDPISA-N 0 0 300.402 3.361 10 70 DGIERN CCc1noc([C@H](C)N[C@H](C)c2ccccc2-n2cccn2)n1 ZINC000160839509 432743729 /nfs/dbraw/zinc/74/37/29/432743729.db2.gz KMASCVUKAHIQDO-OLZOCXBDSA-N 0 0 311.389 3.230 10 70 DGIERN Cc1cc(OCc2ccc(C(=O)OC(C)(C)C)cc2)nn1C ZINC000159726362 292798847 /nfs/dbraw/zinc/79/88/47/292798847.db2.gz SEJIBAHNCVTZHM-UHFFFAOYSA-N 0 0 302.374 3.263 10 70 DGIERN Cc1ccccc1OCCCSC[C@@H](C)CS(C)(=O)=O ZINC000159756638 292799405 /nfs/dbraw/zinc/79/94/05/292799405.db2.gz UBOOKYRVFNCKAZ-CYBMUJFWSA-N 0 0 316.488 3.178 10 70 DGIERN CC[C@H](NS(=O)(=O)c1cc(C)ccc1C)c1nccs1 ZINC000159973353 292804374 /nfs/dbraw/zinc/80/43/74/292804374.db2.gz UYQDHLQEDMRKSQ-LBPRGKRZSA-N 0 0 310.444 3.190 10 70 DGIERN O=C(NC1(CO)CC1)c1cc(-c2ccccc2)ccc1Cl ZINC000160181859 292809519 /nfs/dbraw/zinc/80/95/19/292809519.db2.gz WQRWRZUQQMMPCD-UHFFFAOYSA-N 0 0 301.773 3.262 10 70 DGIERN COc1ccccc1N1CC[C@H](NC(=O)N[C@@H](C)CC(C)C)C1 ZINC000160238473 292810856 /nfs/dbraw/zinc/81/08/56/292810856.db2.gz PJWDRMKHIFIQQI-GJZGRUSLSA-N 0 0 319.449 3.008 10 70 DGIERN CC(C)(C)c1ccc(CCCCC(=O)NC2(CO)CC2)cc1 ZINC000160305315 292812020 /nfs/dbraw/zinc/81/20/20/292812020.db2.gz POWRMBHAGYGYSY-UHFFFAOYSA-N 0 0 303.446 3.338 10 70 DGIERN Cc1noc([C@@H]2COCCN2Cc2ccc(CC(C)C)cc2)n1 ZINC000160853400 292823263 /nfs/dbraw/zinc/82/32/63/292823263.db2.gz GZCIIZSKHYJNPG-KRWDZBQOSA-N 0 0 315.417 3.150 10 70 DGIERN CC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1)c1ccncc1 ZINC000161077427 292828196 /nfs/dbraw/zinc/82/81/96/292828196.db2.gz PBMIUMMQYICJFT-OAHLLOKOSA-N 0 0 318.442 3.464 10 70 DGIERN CC(C)Cc1noc(CN(CCc2nccs2)C(C)C)n1 ZINC000159843943 528680307 /nfs/dbraw/zinc/68/03/07/528680307.db2.gz IIWKQIACPJZJRR-UHFFFAOYSA-N 0 0 308.451 3.178 10 70 DGIERN Cc1nc(NC(=O)Cc2c[nH]c3cc(F)ccc23)cc(C2CC2)n1 ZINC000160288932 546058968 /nfs/dbraw/zinc/05/89/68/546058968.db2.gz ALYGCQDOLTZUFA-UHFFFAOYSA-N 0 0 324.359 3.464 10 70 DGIERN CCc1cc(C(=O)N2CCC(=O)Nc3ccccc32)oc1CC ZINC000160911092 546064110 /nfs/dbraw/zinc/06/41/10/546064110.db2.gz HIHAQEKVNPQMOQ-UHFFFAOYSA-N 0 0 312.369 3.393 10 70 DGIERN CCc1cc(C)c(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)o1 ZINC000160666671 529524809 /nfs/dbraw/zinc/52/48/09/529524809.db2.gz OHGMJHCTDVRSRU-UHFFFAOYSA-N 0 0 315.325 3.334 10 70 DGIERN Cc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000159533102 186125526 /nfs/dbraw/zinc/12/55/26/186125526.db2.gz ZNYPRPKCAJAKMC-HIFRSBDPSA-N 0 0 315.369 3.022 10 70 DGIERN Cc1nc(CC(=O)N(C)CCOc2ccc(C)cc2)c(C)s1 ZINC000159677360 186134734 /nfs/dbraw/zinc/13/47/34/186134734.db2.gz FYKRIOPLWUFQEX-UHFFFAOYSA-N 0 0 318.442 3.148 10 70 DGIERN CCCC1CCC(NC(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160212749 197393108 /nfs/dbraw/zinc/39/31/08/197393108.db2.gz NXXOYFXAHHWHCK-UHFFFAOYSA-N 0 0 300.406 3.057 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N[C@@H](C)CC(C)(C)OC ZINC000160155458 197389804 /nfs/dbraw/zinc/38/98/04/197389804.db2.gz VKWXKSQLULXFMH-NSHDSACASA-N 0 0 313.825 3.211 10 70 DGIERN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000160076332 197383879 /nfs/dbraw/zinc/38/38/79/197383879.db2.gz FRNZWMVFFUWFCO-UHFFFAOYSA-N 0 0 309.214 3.087 10 70 DGIERN O[C@@H](CNc1ccnc2c(F)cc(F)cc12)c1ccncc1 ZINC000160055735 197382826 /nfs/dbraw/zinc/38/28/26/197382826.db2.gz QMUBZRQDSAUZNO-HNNXBMFYSA-N 0 0 301.296 3.054 10 70 DGIERN COCCC1(CNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000160148350 197388516 /nfs/dbraw/zinc/38/85/16/197388516.db2.gz YSMQIIVWWIDARE-IRXDYDNUSA-N 0 0 316.445 3.296 10 70 DGIERN Cc1cccc(CNC(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000159976697 197378262 /nfs/dbraw/zinc/37/82/62/197378262.db2.gz BQQJSENKLVODBX-INIZCTEOSA-N 0 0 316.426 3.340 10 70 DGIERN Cc1cnc(CCN(C)C(=O)NC[C@H]2CCC[C@H](C)C2)s1 ZINC000159924577 197373704 /nfs/dbraw/zinc/37/37/04/197373704.db2.gz ZWABHPFBHDKMRY-JSGCOSHPSA-N 0 0 309.479 3.462 10 70 DGIERN C[C@@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000160287783 252645249 /nfs/dbraw/zinc/64/52/49/252645249.db2.gz SARJDFDPHDNGJY-SUMWQHHRSA-N 0 0 315.392 3.481 10 70 DGIERN O=C(NCc1ccn(C2CCCC2)n1)NCC1(C2CC2)CCC1 ZINC000160790506 292821596 /nfs/dbraw/zinc/82/15/96/292821596.db2.gz BPVQIWPCCRSDDY-UHFFFAOYSA-N 0 0 316.449 3.378 10 70 DGIERN Cc1nc(NC(=O)c2occc2Br)cc(C2CC2)n1 ZINC000159894578 228243327 /nfs/dbraw/zinc/24/33/27/228243327.db2.gz WQLCJDSXSMTRQQ-UHFFFAOYSA-N 0 0 322.162 3.270 10 70 DGIERN CC(C)C[C@H](C)CC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159631766 279091257 /nfs/dbraw/zinc/09/12/57/279091257.db2.gz DAONRGYVUZAHQC-JYJNAYRXSA-N 0 0 323.433 3.003 10 70 DGIERN O=C(CC[C@@H]1CCOC1)N1CC=C(c2ccccc2F)CC1 ZINC000159679741 432692206 /nfs/dbraw/zinc/69/22/06/432692206.db2.gz FEBXZXQNXMYFDK-CQSZACIVSA-N 0 0 303.377 3.258 10 70 DGIERN O=C(Cc1ccc(OC(F)(F)F)cc1)NCC1(C2CC2)CC1 ZINC000159738569 432693742 /nfs/dbraw/zinc/69/37/42/432693742.db2.gz QOYKKFFBNIBRHO-UHFFFAOYSA-N 0 0 313.319 3.434 10 70 DGIERN C[C@H](CS[C@H](C)CCc1ccccc1)CS(C)(=O)=O ZINC000159731822 432694378 /nfs/dbraw/zinc/69/43/78/432694378.db2.gz FJHZUHQUOFZEPN-ZIAGYGMSSA-N 0 0 300.489 3.422 10 70 DGIERN C[C@@H]1CC[C@H](NC(=O)N2CCC(c3ccnn3C)CC2)[C@H](C)C1 ZINC000159862421 432699003 /nfs/dbraw/zinc/69/90/03/432699003.db2.gz HUJRCEKCNYRKFD-FMKPAKJESA-N 0 0 318.465 3.134 10 70 DGIERN COCc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)o1 ZINC000159913464 432700949 /nfs/dbraw/zinc/70/09/49/432700949.db2.gz RFZOMTHMOVEBCA-UHFFFAOYSA-N 0 0 315.325 3.455 10 70 DGIERN C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159963489 432703267 /nfs/dbraw/zinc/70/32/67/432703267.db2.gz APVQBJUOSJWFEX-NVXWUHKLSA-N 0 0 301.430 3.473 10 70 DGIERN COc1ccc([C@@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1F ZINC000160175707 432710887 /nfs/dbraw/zinc/71/08/87/432710887.db2.gz GZSCKHBQJGGETM-NWDGAFQWSA-N 0 0 309.381 3.074 10 70 DGIERN CC1(CNC(=O)Nc2ccc(COC3CCCC3)cc2)COC1 ZINC000160540141 432726498 /nfs/dbraw/zinc/72/64/98/432726498.db2.gz ZBSITCSAJCKNGP-UHFFFAOYSA-N 0 0 318.417 3.304 10 70 DGIERN CC1(C)CCC(C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000159372110 432682403 /nfs/dbraw/zinc/68/24/03/432682403.db2.gz RUAIMONFXUDDRD-INIZCTEOSA-N 0 0 302.418 3.278 10 70 DGIERN CCc1cccc(CC(=O)NC[C@H](OC)c2ccc(F)cc2)c1 ZINC000159412363 432683207 /nfs/dbraw/zinc/68/32/07/432683207.db2.gz XAQDVYCUTLDVFE-SFHVURJKSA-N 0 0 315.388 3.435 10 70 DGIERN C[C@@H](CNc1ccnc2c(F)cc(F)cc12)N1CCOC[C@H]1C ZINC000159448220 432684088 /nfs/dbraw/zinc/68/40/88/432684088.db2.gz CVSOHHHBXWJYPW-NWDGAFQWSA-N 0 0 321.371 3.034 10 70 DGIERN CC(C)(C)c1nsc(NCc2cccc(-c3nc[nH]n3)c2)n1 ZINC000159505199 432685882 /nfs/dbraw/zinc/68/58/82/432685882.db2.gz MPXBUHNCLYBXRM-UHFFFAOYSA-N 0 0 314.418 3.233 10 70 DGIERN CCc1cc(C(=O)Nc2ccccc2CC(=O)OC)oc1CC ZINC000160912466 432748963 /nfs/dbraw/zinc/74/89/63/432748963.db2.gz UZZXOUKZRMLNAB-UHFFFAOYSA-N 0 0 315.369 3.372 10 70 DGIERN CC[C@@H](C(=O)Nc1nnc2cc(C)ccn21)c1ccc(F)cc1 ZINC000160970082 432751578 /nfs/dbraw/zinc/75/15/78/432751578.db2.gz IHRSWIMQMVDGEE-CQSZACIVSA-N 0 0 312.348 3.309 10 70 DGIERN C[C@@H]1C[C@@H]1NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000161004213 432754425 /nfs/dbraw/zinc/75/44/25/432754425.db2.gz HWEDJZTVSWRWAQ-RNCFNFMXSA-N 0 0 324.306 3.421 10 70 DGIERN CSCCCNC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161045810 432756064 /nfs/dbraw/zinc/75/60/64/432756064.db2.gz OUQCWFGCRSNAGM-ZDUSSCGKSA-N 0 0 308.447 3.341 10 70 DGIERN Cc1nc(C[C@H]2CCCN(Cc3csc(C(C)C)n3)C2)no1 ZINC000161050016 432756749 /nfs/dbraw/zinc/75/67/49/432756749.db2.gz RVLSOAAOHPFFFO-CYBMUJFWSA-N 0 0 320.462 3.413 10 70 DGIERN COc1ccc(NC(=O)N2CC[C@H](C)[C@H](C)C2)c(OC)c1OC ZINC000161077895 432758193 /nfs/dbraw/zinc/75/81/93/432758193.db2.gz OCSBQAGXVHWKGD-NWDGAFQWSA-N 0 0 322.405 3.222 10 70 DGIERN CCCC[C@@H](NC(=O)[C@@H](C)CSC)C(=O)OC(C)(C)C ZINC000161142148 432761613 /nfs/dbraw/zinc/76/16/13/432761613.db2.gz NACSAXLFHUWHIS-NWDGAFQWSA-N 0 0 303.468 3.002 10 70 DGIERN COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)C2CCOCC2)o1 ZINC000161379486 432776923 /nfs/dbraw/zinc/77/69/23/432776923.db2.gz HXKFDXQERFMTIC-CJNGLKHVSA-N 0 0 321.417 3.152 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cc(C(C)C)nn2C)n1 ZINC000161398104 432776956 /nfs/dbraw/zinc/77/69/56/432776956.db2.gz CBFZEPUVAVPRNF-UHFFFAOYSA-N 0 0 323.400 3.290 10 70 DGIERN C[C@H](C(=O)N1CCC[C@@H]1Cc1ccccc1)C1CCOCC1 ZINC000161426395 432777781 /nfs/dbraw/zinc/77/77/81/432777781.db2.gz CLXNLOXUFGIFFE-MAUKXSAKSA-N 0 0 301.430 3.283 10 70 DGIERN O=C(c1ccnc(Cl)c1)N1CCO[C@H](c2cccs2)C1 ZINC000161415172 432777835 /nfs/dbraw/zinc/77/78/35/432777835.db2.gz RWMXILZTLCPYPV-NSHDSACASA-N 0 0 308.790 3.010 10 70 DGIERN Cc1nc(COC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)c(C)s1 ZINC000161465681 432781457 /nfs/dbraw/zinc/78/14/57/432781457.db2.gz YYEWUJAQJMOLIJ-BJOHPYRUSA-N 0 0 303.383 3.368 10 70 DGIERN CCn1ccnc1CN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000160711536 432737219 /nfs/dbraw/zinc/73/72/19/432737219.db2.gz SVEUSIXRQMCVMY-INIZCTEOSA-N 0 0 315.417 3.257 10 70 DGIERN CC[C@@H](O)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000160726229 432737391 /nfs/dbraw/zinc/73/73/91/432737391.db2.gz UEVALHHWJJUNRQ-SUMWQHHRSA-N 0 0 300.402 3.361 10 70 DGIERN COC(=O)c1cc(NC(=O)NCCC2=CCCC2)c(F)cc1F ZINC000160772983 432739931 /nfs/dbraw/zinc/73/99/31/432739931.db2.gz XKQAJDATCGJEFJ-UHFFFAOYSA-N 0 0 324.327 3.373 10 70 DGIERN C[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)c1cccnc1 ZINC000160779108 432740451 /nfs/dbraw/zinc/74/04/51/432740451.db2.gz UHUGXPKEZCKAIU-LBPRGKRZSA-N 0 0 317.458 3.298 10 70 DGIERN CC/C=C(/C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160770193 432740720 /nfs/dbraw/zinc/74/07/20/432740720.db2.gz XVBSXUSNTCDGQH-WSSYIRIYSA-N 0 0 308.372 3.183 10 70 DGIERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CCO ZINC000161489568 432781945 /nfs/dbraw/zinc/78/19/45/432781945.db2.gz NARVWSWLCVIOPV-SECBINFHSA-N 0 0 320.216 3.038 10 70 DGIERN CCc1cc(C)c(C(=O)Nc2cc(C(N)=O)ccc2Cl)o1 ZINC000159607779 292796358 /nfs/dbraw/zinc/79/63/58/292796358.db2.gz SNTYELRQLOBIDV-UHFFFAOYSA-N 0 0 306.749 3.155 10 70 DGIERN C[C@@H](CSCCOc1ccc(Cl)cc1)CS(C)(=O)=O ZINC000159636221 292797010 /nfs/dbraw/zinc/79/70/10/292797010.db2.gz IGEQKBOWEBQJKQ-NSHDSACASA-N 0 0 322.879 3.133 10 70 DGIERN C[C@H](CSCCc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000159823009 292801020 /nfs/dbraw/zinc/80/10/20/292801020.db2.gz MNHCBKDEICGBRB-SNVBAGLBSA-N 0 0 324.870 3.436 10 70 DGIERN Cc1cc(C)n(Cc2ccc(C(=O)NCC3(C4CC4)CC3)cc2)n1 ZINC000159870134 292802292 /nfs/dbraw/zinc/80/22/92/292802292.db2.gz UCAPMKPUIZHPKF-UHFFFAOYSA-N 0 0 323.440 3.468 10 70 DGIERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000160411652 292813982 /nfs/dbraw/zinc/81/39/82/292813982.db2.gz PXDWOENKTQQFNV-BBRMVZONSA-N 0 0 317.433 3.201 10 70 DGIERN CC[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065374 292827330 /nfs/dbraw/zinc/82/73/30/292827330.db2.gz GMARQCHYBZCPGR-ZYHUDNBSSA-N 0 0 314.414 3.182 10 70 DGIERN COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCOC(C)(C)C2)cc1F ZINC000161144985 292829554 /nfs/dbraw/zinc/82/95/54/292829554.db2.gz COLNFNYTAHFLPE-DGCLKSJQSA-N 0 0 324.396 3.152 10 70 DGIERN CCCCCNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000160871245 520205854 /nfs/dbraw/zinc/20/58/54/520205854.db2.gz OYXNGASTTKYKPQ-AWEZNQCLSA-N 0 0 320.368 3.096 10 70 DGIERN Cc1nc(NC(=O)c2ccc(-n3cccn3)cc2)cc(C2CC2)n1 ZINC000159871913 534482605 /nfs/dbraw/zinc/48/26/05/534482605.db2.gz LTWAMQASPDITLR-UHFFFAOYSA-N 0 0 319.368 3.100 10 70 DGIERN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccccc2)C1)C1CCOCC1 ZINC000160321394 524115572 /nfs/dbraw/zinc/11/55/72/524115572.db2.gz OBAQRACWQKRKKZ-CRAIPNDOSA-N 0 0 316.445 3.152 10 70 DGIERN COc1cccc([C@@H]2CCCN2C(=O)[C@H](C)C2CCOCC2)c1 ZINC000161260387 524115831 /nfs/dbraw/zinc/11/58/31/524115831.db2.gz DQLVJHAXUZXUQC-KDOFPFPSSA-N 0 0 317.429 3.421 10 70 DGIERN CC(C)c1cccc(S(=O)(=O)N(C)Cc2ccc(O)cc2)c1 ZINC000159622089 528186587 /nfs/dbraw/zinc/18/65/87/528186587.db2.gz AYZHSFREQFBOCS-UHFFFAOYSA-N 0 0 319.426 3.336 10 70 DGIERN CC1(C)CCC[C@H](CC(=O)N2CCC[C@H](Cn3ccnn3)C2)C1 ZINC000161361412 528979857 /nfs/dbraw/zinc/97/98/57/528979857.db2.gz VNDSGGFFSIDGPE-CVEARBPZSA-N 0 0 318.465 3.123 10 70 DGIERN Cc1nc(NC(=O)c2ccn(C3CCCC3)n2)cc(C2CC2)n1 ZINC000160084300 546058153 /nfs/dbraw/zinc/05/81/53/546058153.db2.gz KELIPJRPAQEMLK-UHFFFAOYSA-N 0 0 311.389 3.226 10 70 DGIERN CCCc1cc(C(=O)Nc2ccccc2-n2ccc(C)n2)n[nH]1 ZINC000161327201 546068036 /nfs/dbraw/zinc/06/80/36/546068036.db2.gz AYVLIJNVMGQCOD-UHFFFAOYSA-N 0 0 309.373 3.109 10 70 DGIERN COc1ccc([C@H](C)S(=O)(=O)Cl)cc1Br ZINC000259363047 546337375 /nfs/dbraw/zinc/33/73/75/546337375.db2.gz QIIJRWGZULEJKB-LURJTMIESA-N 0 0 313.600 3.087 10 70 DGIERN CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CC3(C)C)ccc2NC1=O ZINC000159548170 186126680 /nfs/dbraw/zinc/12/66/80/186126680.db2.gz DQMWGMHLAHDRTM-JKOKRWQUSA-N 0 0 316.401 3.019 10 70 DGIERN CCNC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159595209 186129626 /nfs/dbraw/zinc/12/96/26/186129626.db2.gz URAKEBCERZMGSR-CZUORRHYSA-N 0 0 302.418 3.048 10 70 DGIERN Cc1ccc(C)c(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159648544 186133001 /nfs/dbraw/zinc/13/30/01/186133001.db2.gz LHEGSQGUBRTVHS-ROUUACIJSA-N 0 0 315.413 3.221 10 70 DGIERN CCOc1ccc2nc(NCc3cn(C)nc3C)sc2c1 ZINC000159737684 186138732 /nfs/dbraw/zinc/13/87/32/186138732.db2.gz HDHHLDGCPHPFOC-UHFFFAOYSA-N 0 0 302.403 3.349 10 70 DGIERN CCN(CCc1nccs1)C(=O)NCCc1ccccc1F ZINC000161062448 197462005 /nfs/dbraw/zinc/46/20/05/197462005.db2.gz WZEUIFOBAFORFT-UHFFFAOYSA-N 0 0 321.421 3.099 10 70 DGIERN Cc1c(CNC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000160547467 197420761 /nfs/dbraw/zinc/42/07/61/197420761.db2.gz KLWXLZGDFDMHRO-VIFPVBQESA-N 0 0 324.787 3.081 10 70 DGIERN C[C@H](Cc1ccccc1F)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000160287898 197398635 /nfs/dbraw/zinc/39/86/35/197398635.db2.gz SARJDFDPHDNGJY-CXAGYDPISA-N 0 0 315.392 3.481 10 70 DGIERN Cc1cc(S(=O)(=O)N[C@H](C)c2cccc(O)c2)c(C)s1 ZINC000160147777 197388542 /nfs/dbraw/zinc/38/85/42/197388542.db2.gz KPBNTRWQKLKPTH-SNVBAGLBSA-N 0 0 311.428 3.110 10 70 DGIERN O=S(=O)(Cc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000160117870 197387396 /nfs/dbraw/zinc/38/73/96/197387396.db2.gz JMOKZDWTAZKEBW-UHFFFAOYSA-N 0 0 309.214 3.087 10 70 DGIERN CC1(CNC(=O)N2CCO[C@@H](c3cccs3)C2)CCCC1 ZINC000159869841 197369803 /nfs/dbraw/zinc/36/98/03/197369803.db2.gz CPRZNVMGVWFFLM-CYBMUJFWSA-N 0 0 308.447 3.411 10 70 DGIERN COCc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)o1 ZINC000159815843 197366063 /nfs/dbraw/zinc/36/60/63/197366063.db2.gz XELGZZKAGNBUKI-INIZCTEOSA-N 0 0 315.369 3.412 10 70 DGIERN CC(C)[C@H](O)CC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000159782341 197364460 /nfs/dbraw/zinc/36/44/60/197364460.db2.gz QULPJTCTEKBLOS-MRXNPFEDSA-N 0 0 300.358 3.219 10 70 DGIERN CC1(C)C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000159403666 197351584 /nfs/dbraw/zinc/35/15/84/197351584.db2.gz IEGKQWSPUYTGTQ-LBPRGKRZSA-N 0 0 306.793 3.217 10 70 DGIERN Cc1cncc(/C=C/C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000160053397 252645483 /nfs/dbraw/zinc/64/54/83/252645483.db2.gz VQOYDUPRUSYPPR-ZRFDWSJLSA-N 0 0 324.380 3.052 10 70 DGIERN Cc1ccn2c(c1)nnc2NC(=O)c1cc(F)c(Cl)cc1F ZINC000160712946 292820341 /nfs/dbraw/zinc/82/03/41/292820341.db2.gz XRCVOTPLCWNRAF-UHFFFAOYSA-N 0 0 322.702 3.222 10 70 DGIERN Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(O)c2)c(C)s1 ZINC000160147657 228245376 /nfs/dbraw/zinc/24/53/76/228245376.db2.gz KPBNTRWQKLKPTH-JTQLQIEISA-N 0 0 311.428 3.110 10 70 DGIERN C[C@H](NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C(C)(C)C ZINC000159510509 278248478 /nfs/dbraw/zinc/24/84/78/278248478.db2.gz BZDVZFIHPQHJDC-DTWKUNHWSA-N 0 0 317.355 3.084 10 70 DGIERN C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(Cl)c(F)c1 ZINC000218247961 432657886 /nfs/dbraw/zinc/65/78/86/432657886.db2.gz CSFDFEMRXCXWGS-LLVKDONJSA-N 0 0 302.846 3.179 10 70 DGIERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)O1 ZINC000159715108 432693724 /nfs/dbraw/zinc/69/37/24/432693724.db2.gz RJPGIYYYGLUNMY-DYVFJYSZSA-N 0 0 315.369 3.082 10 70 DGIERN C[C@H]1CC[C@H](NC(=O)c2ccc3nncn3c2)c2ccccc21 ZINC000159701565 432694531 /nfs/dbraw/zinc/69/45/31/432694531.db2.gz MYMRYDJXJNGWBX-LRDDRELGSA-N 0 0 306.369 3.098 10 70 DGIERN COc1cccc(CCCSC[C@@H](C)CS(C)(=O)=O)c1 ZINC000159812143 432698244 /nfs/dbraw/zinc/69/82/44/432698244.db2.gz TVAFHLOAOLALSM-CYBMUJFWSA-N 0 0 316.488 3.042 10 70 DGIERN Cc1cccc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854526 432699565 /nfs/dbraw/zinc/69/95/65/432699565.db2.gz BTHYXPPOVWJTGU-IBGZPJMESA-N 0 0 319.412 3.308 10 70 DGIERN COc1ccccc1OCC[N@H+](CCc1nccs1)C(C)C ZINC000159864494 432700058 /nfs/dbraw/zinc/70/00/58/432700058.db2.gz RZFWKHSETUVPBL-UHFFFAOYSA-N 0 0 320.458 3.484 10 70 DGIERN O=C(CCC1CCCC1)CSc1nnnn1-c1ccccc1 ZINC000159914583 432701188 /nfs/dbraw/zinc/70/11/88/432701188.db2.gz WRKZZBWDRBKSTI-UHFFFAOYSA-N 0 0 316.430 3.294 10 70 DGIERN O=C(N[C@@H]1CCCc2sccc21)[C@H]1CCCc2n[nH]cc21 ZINC000160092935 432705944 /nfs/dbraw/zinc/70/59/44/432705944.db2.gz HOGZTOQGXOGOLD-GXFFZTMASA-N 0 0 301.415 3.085 10 70 DGIERN CC(=O)c1ccc(C(=O)NCc2nc3c(cccc3C)[nH]2)cc1 ZINC000160280005 432713103 /nfs/dbraw/zinc/71/31/03/432713103.db2.gz KLPWNMSBKMBMHC-UHFFFAOYSA-N 0 0 307.353 3.004 10 70 DGIERN COc1ccc(-n2ccc(C(=O)NCCC3=CCCC3)n2)cc1 ZINC000160324092 432713674 /nfs/dbraw/zinc/71/36/74/432713674.db2.gz UAHKPMUQSZUECV-UHFFFAOYSA-N 0 0 311.385 3.111 10 70 DGIERN Nc1ccc2c(c1)CC[C@@H]2Nc1nnc(C(F)(F)F)s1 ZINC000160385806 432718276 /nfs/dbraw/zinc/71/82/76/432718276.db2.gz ADSCKURUCVKCEC-VIFPVBQESA-N 0 0 300.309 3.239 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)Nc2ccn(CC(F)(F)F)n2)o1 ZINC000160510487 432724724 /nfs/dbraw/zinc/72/47/24/432724724.db2.gz CLNAZAVPEYITEL-VIFPVBQESA-N 0 0 316.283 3.230 10 70 DGIERN C[C@@H](NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C(C)(C)C ZINC000159510948 432685868 /nfs/dbraw/zinc/68/58/68/432685868.db2.gz BZDVZFIHPQHJDC-BDAKNGLRSA-N 0 0 317.355 3.084 10 70 DGIERN Cn1cnc2cc(C(=O)NCC3(C)CCCCCC3)cnc21 ZINC000161113848 432758943 /nfs/dbraw/zinc/75/89/43/432758943.db2.gz XOESICNXQZAJDC-UHFFFAOYSA-N 0 0 300.406 3.059 10 70 DGIERN CCN(CCc1nccs1)C(=O)N[C@H](C)c1ccccc1 ZINC000161099591 432759257 /nfs/dbraw/zinc/75/92/57/432759257.db2.gz MSPMVWHYOAQGAY-CYBMUJFWSA-N 0 0 303.431 3.478 10 70 DGIERN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000161096305 432760004 /nfs/dbraw/zinc/76/00/04/432760004.db2.gz IUCFLMIJJGFDNA-BBRMVZONSA-N 0 0 323.458 3.131 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1F)c1nccs1 ZINC000161110116 432760243 /nfs/dbraw/zinc/76/02/43/432760243.db2.gz RUQLDQFFFYPCBZ-FZMZJTMJSA-N 0 0 321.421 3.028 10 70 DGIERN CCc1nnc(CN2c3ccccc3S[C@H](C)[C@@H]2C)n1C ZINC000161125698 432761336 /nfs/dbraw/zinc/76/13/36/432761336.db2.gz SXUQKPFBEGPDRE-NWDGAFQWSA-N 0 0 302.447 3.267 10 70 DGIERN CC[C@H](N[C@H](C)C(=O)N[C@@H](C)c1ccccc1)c1nccs1 ZINC000161171445 432763060 /nfs/dbraw/zinc/76/30/60/432763060.db2.gz HPPQBXVYAOHASC-GUTXKFCHSA-N 0 0 317.458 3.450 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cccc3c[nH]nc32)n1 ZINC000161221347 432767135 /nfs/dbraw/zinc/76/71/35/432767135.db2.gz ZBQBWYLRPRTTJS-UHFFFAOYSA-N 0 0 317.352 3.309 10 70 DGIERN CC[C@H]1CN(CCC(=O)c2ccc(C)cc2)CCN1CC(F)F ZINC000161309459 432773255 /nfs/dbraw/zinc/77/32/55/432773255.db2.gz FCRBRWPBKCABAJ-INIZCTEOSA-N 0 0 324.415 3.229 10 70 DGIERN CCC[C@H](NC(=O)[C@H](OC)c1ccccc1)C(=O)OC(C)(C)C ZINC000161384632 432776860 /nfs/dbraw/zinc/77/68/60/432776860.db2.gz ZGWLGHXBPGYJGV-LSDHHAIUSA-N 0 0 321.417 3.001 10 70 DGIERN CC(=O)[C@@H](C)CCCCC(=O)NCc1nc2c(cccc2C)[nH]1 ZINC000160569413 432729067 /nfs/dbraw/zinc/72/90/67/432729067.db2.gz FISAUBKDKSIELI-LBPRGKRZSA-N 0 0 315.417 3.273 10 70 DGIERN O=C(c1cc(Cl)ccn1)N1CCO[C@H](c2cccs2)C1 ZINC000161506590 432783386 /nfs/dbraw/zinc/78/33/86/432783386.db2.gz PZXCYJIQMGFFOH-LBPRGKRZSA-N 0 0 308.790 3.010 10 70 DGIERN C[C@@]1(C(=O)Nc2ccc(NC(N)=O)cc2)CCCc2ccccc21 ZINC000159415892 292792545 /nfs/dbraw/zinc/79/25/45/292792545.db2.gz UBOAGCDZUMWZEW-LJQANCHMSA-N 0 0 323.396 3.410 10 70 DGIERN CN1CCc2nc(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282546 290255134 /nfs/dbraw/zinc/25/51/34/290255134.db2.gz XSSFMOJIZVECSX-CHWSQXEVSA-N 0 0 319.474 3.286 10 70 DGIERN Cc1ccn(-c2ccccc2CNC(=O)Cc2cccs2)n1 ZINC000159683973 292798072 /nfs/dbraw/zinc/79/80/72/292798072.db2.gz FAKWFMGFWONVON-UHFFFAOYSA-N 0 0 311.410 3.101 10 70 DGIERN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000159765950 292800264 /nfs/dbraw/zinc/80/02/64/292800264.db2.gz LUMCYJHQLWQASE-CWRNSKLLSA-N 0 0 311.466 3.101 10 70 DGIERN Cc1nc(NC(=O)[C@H](C)OCc2ccccc2)cc(C2CC2)n1 ZINC000160135240 292808187 /nfs/dbraw/zinc/80/81/87/292808187.db2.gz ZBQCPOLPOVFQKN-LBPRGKRZSA-N 0 0 311.385 3.206 10 70 DGIERN CCc1cccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000160179758 292809539 /nfs/dbraw/zinc/80/95/39/292809539.db2.gz SVHJMSMWLASFRH-QUCCMNQESA-N 0 0 309.409 3.438 10 70 DGIERN CCc1cnc(CN(C)C(=O)Cc2cccc(CC)c2)s1 ZINC000160257994 292810817 /nfs/dbraw/zinc/81/08/17/292810817.db2.gz NLDNMYUTUOEHFD-UHFFFAOYSA-N 0 0 302.443 3.469 10 70 DGIERN CCC[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(=O)OC(C)(C)C ZINC000161284741 292832729 /nfs/dbraw/zinc/83/27/29/292832729.db2.gz ZSDIZXIUNRRJDE-HNNXBMFYSA-N 0 0 316.401 3.408 10 70 DGIERN CCC[C@H](NC(=O)C1CCC(F)(F)CC1)C(=O)OC(C)(C)C ZINC000161298806 292833334 /nfs/dbraw/zinc/83/33/34/292833334.db2.gz PEOPJTKESPKSOW-LBPRGKRZSA-N 0 0 319.392 3.439 10 70 DGIERN NC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000159503897 303288682 /nfs/dbraw/zinc/28/86/82/303288682.db2.gz UGXUWRBQLQQFFF-HUUCEWRRSA-N 0 0 301.390 3.332 10 70 DGIERN CCC[C@H](NC(=O)c1scnc1C1CC1)C(=O)OC(C)(C)C ZINC000161278138 521147916 /nfs/dbraw/zinc/14/79/16/521147916.db2.gz IAAGGCZIAXWWJU-NSHDSACASA-N 0 0 324.446 3.261 10 70 DGIERN CCc1nc(-c2ccccc2NC(=O)[C@@H](C)c2cccnc2)n[nH]1 ZINC000161132961 522121024 /nfs/dbraw/zinc/12/10/24/522121024.db2.gz LSIDTBHOTNCMAD-LBPRGKRZSA-N 0 0 321.384 3.171 10 70 DGIERN C[C@@](O)(CNc1ccnc2c(F)cc(F)cc12)c1ccco1 ZINC000159650518 525778436 /nfs/dbraw/zinc/77/84/36/525778436.db2.gz JIGXQDJDJFGBDZ-MRXNPFEDSA-N 0 0 304.296 3.426 10 70 DGIERN CCOc1c(F)cccc1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160145513 528185321 /nfs/dbraw/zinc/18/53/21/528185321.db2.gz GMBSXEUMLFYNNH-UHFFFAOYSA-N 0 0 315.348 3.453 10 70 DGIERN CC(C)N(CCc1nccs1)C(=O)NC[C@@H]1CCCS1 ZINC000159756210 546056242 /nfs/dbraw/zinc/05/62/42/546056242.db2.gz IHZZIURYYHPMSA-LBPRGKRZSA-N 0 0 313.492 3.001 10 70 DGIERN CCc1onc(C)c1C(=O)NCCOCc1ccc(Cl)cc1 ZINC000159716394 546056498 /nfs/dbraw/zinc/05/64/98/546056498.db2.gz RTTJYIGEHVEXRA-UHFFFAOYSA-N 0 0 322.792 3.145 10 70 DGIERN O=C(NCCC1=CCCC1)Nc1nnc(C(F)(F)F)s1 ZINC000160354614 546060026 /nfs/dbraw/zinc/06/00/26/546060026.db2.gz ALRHVLZJOQEMNS-UHFFFAOYSA-N 0 0 306.313 3.179 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)CCn2cccn2)cc1 ZINC000159745138 186139279 /nfs/dbraw/zinc/13/92/79/186139279.db2.gz QPCUCMRZCLSFKC-OAHLLOKOSA-N 0 0 315.417 3.185 10 70 DGIERN Cc1cc(OCc2ccc(SC(=O)N(C)C)cc2)nn1C ZINC000159757463 186139882 /nfs/dbraw/zinc/13/98/82/186139882.db2.gz HXCKQSUDUHASIN-UHFFFAOYSA-N 0 0 305.403 3.081 10 70 DGIERN Cc1cccc(-c2cc(C(F)(F)F)nc(NC(N)=S)n2)c1 ZINC000217027407 201508386 /nfs/dbraw/zinc/50/83/86/201508386.db2.gz AFLSWDXXPFNQQW-UHFFFAOYSA-N 0 0 312.320 3.126 10 70 DGIERN O[C@H](CNc1ccnc2c(F)cc(F)cc12)c1ccncc1 ZINC000160055595 197382391 /nfs/dbraw/zinc/38/23/91/197382391.db2.gz QMUBZRQDSAUZNO-OAHLLOKOSA-N 0 0 301.296 3.054 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N(C)[C@H](C)CCSC ZINC000160038607 197381422 /nfs/dbraw/zinc/38/14/22/197381422.db2.gz FNQXAYWBJDUFCQ-LLVKDONJSA-N 0 0 315.866 3.491 10 70 DGIERN C[C@H](Cc1cccs1)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000159950810 197376138 /nfs/dbraw/zinc/37/61/38/197376138.db2.gz ZDISYNSDHQIHHU-CPUCHLNUSA-N 0 0 322.474 3.016 10 70 DGIERN COC(=O)C[C@@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159838839 197368229 /nfs/dbraw/zinc/36/82/29/197368229.db2.gz WSXSGNYLFCWVPJ-ZIAGYGMSSA-N 0 0 321.417 3.098 10 70 DGIERN Cc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccoc3)no2)o1 ZINC000159820052 197366037 /nfs/dbraw/zinc/36/60/37/197366037.db2.gz VRMSJLLFMWZUIF-LLVKDONJSA-N 0 0 315.329 3.041 10 70 DGIERN C[C@@H](NCc1cn(C)nc1C(F)(F)F)c1ccccc1F ZINC000159786508 197364374 /nfs/dbraw/zinc/36/43/74/197364374.db2.gz 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/nfs/dbraw/zinc/24/76/39/228247639.db2.gz NSWLTYVLLGJHDE-UHFFFAOYSA-N 0 0 318.465 3.365 10 70 DGIERN c1ccc2c(c1)CCCN2CCSc1nnc(C2CC2)[nH]1 ZINC000160753060 228247867 /nfs/dbraw/zinc/24/78/67/228247867.db2.gz VXQOVXLUYOIRGM-UHFFFAOYSA-N 0 0 300.431 3.227 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)c2cc(C(N)=O)cs2)c2ccccc21 ZINC000159774529 277779595 /nfs/dbraw/zinc/77/95/95/277779595.db2.gz QHLXJGUAOBGQRO-QMTHXVAHSA-N 0 0 314.410 3.215 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3ccnc3C2)c2ccccc21 ZINC000159721035 277779608 /nfs/dbraw/zinc/77/96/08/277779608.db2.gz VYRYKWZXAXRZMK-CKEIUWERSA-N 0 0 309.413 3.200 10 70 DGIERN Cn1cnc2cc(C(=O)N[C@H]3CC(C)(C)c4ccccc43)cnc21 ZINC000160907232 279388953 /nfs/dbraw/zinc/38/89/53/279388953.db2.gz IAJFLDZIKXBVBV-INIZCTEOSA-N 0 0 320.396 3.121 10 70 DGIERN COc1ncccc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159672574 432692376 /nfs/dbraw/zinc/69/23/76/432692376.db2.gz HMPGZRQKKFAOEF-UHFFFAOYSA-N 0 0 312.344 3.159 10 70 DGIERN O=C(c1ccnc(F)c1)N1CC=C(c2ccccc2F)CC1 ZINC000159708997 432693841 /nfs/dbraw/zinc/69/38/41/432693841.db2.gz XQQVSYXBGGZFLG-UHFFFAOYSA-N 0 0 300.308 3.289 10 70 DGIERN Cc1cccc([C@@H]2CCCN2C(=O)c2cnc3c(c2)ncn3C)c1 ZINC000159717811 432693978 /nfs/dbraw/zinc/69/39/78/432693978.db2.gz YCBHWCVXHXJXPL-KRWDZBQOSA-N 0 0 320.396 3.254 10 70 DGIERN C[C@H](N[C@@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159774843 432695029 /nfs/dbraw/zinc/69/50/29/432695029.db2.gz AWYSMOKLZCOXGK-GXFFZTMASA-N 0 0 321.222 3.226 10 70 DGIERN Cc1cc(OCC(=O)N[C@@H](c2cccs2)C(C)(C)C)nn1C ZINC000159801265 432697986 /nfs/dbraw/zinc/69/79/86/432697986.db2.gz HSSGIXTYXMYXTJ-HNNXBMFYSA-N 0 0 321.446 3.072 10 70 DGIERN CSCc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)ccc1F ZINC000159815616 432698318 /nfs/dbraw/zinc/69/83/18/432698318.db2.gz MEKCTHMKUCTSQF-BMFZPTHFSA-N 0 0 323.433 3.376 10 70 DGIERN Cc1ccc([C@H]2CN(C(=O)NC[C@H]3CC=CCC3)CCO2)o1 ZINC000160118029 432708305 /nfs/dbraw/zinc/70/83/05/432708305.db2.gz XBBACMSHHKXDBC-GOEBONIOSA-N 0 0 304.390 3.027 10 70 DGIERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000160125070 432708865 /nfs/dbraw/zinc/70/88/65/432708865.db2.gz QAXSLEYVNORBDZ-WBMJQRKESA-N 0 0 312.413 3.201 10 70 DGIERN O=C(NC1(CO)CC1)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000160205280 432710840 /nfs/dbraw/zinc/71/08/40/432710840.db2.gz NNXHEFKBBFPFAO-UHFFFAOYSA-N 0 0 317.772 3.387 10 70 DGIERN C[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)[C@H](C)CO ZINC000160287016 432713720 /nfs/dbraw/zinc/71/37/20/432713720.db2.gz FAXIPTMNHFEVIE-RKDXNWHRSA-N 0 0 322.257 3.219 10 70 DGIERN CCN(CCc1nccs1)Cc1ccn(-c2ccccc2)n1 ZINC000159384969 432682198 /nfs/dbraw/zinc/68/21/98/432682198.db2.gz PHFPLLBXWFHOAD-UHFFFAOYSA-N 0 0 312.442 3.393 10 70 DGIERN CS(=O)(=O)c1ccc(N[C@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000159415637 432683641 /nfs/dbraw/zinc/68/36/41/432683641.db2.gz UGZBVEWJTQCLAU-IRXDYDNUSA-N 0 0 317.410 3.032 10 70 DGIERN C[C@H]1CO[C@H](c2ccccc2)CN1Cc1cnc2ccccn12 ZINC000159635584 432690490 /nfs/dbraw/zinc/69/04/90/432690490.db2.gz UYHCQNZXNWOQLZ-YJBOKZPZSA-N 0 0 307.397 3.296 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)NOCc2cccnc2)c2ccccc21 ZINC000160876813 432748125 /nfs/dbraw/zinc/74/81/25/432748125.db2.gz GPOMTHVCCQAZCX-CXAGYDPISA-N 0 0 311.385 3.451 10 70 DGIERN CCN(C[C@@H]1CCCO1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000160955518 432751377 /nfs/dbraw/zinc/75/13/77/432751377.db2.gz YRHAOOUGIVLVBC-LPHOPBHVSA-N 0 0 301.430 3.308 10 70 DGIERN CSCCC(=O)Nc1cc(F)c(Br)cc1F ZINC000160967988 432751521 /nfs/dbraw/zinc/75/15/21/432751521.db2.gz CDZZDOFDKCNWQO-UHFFFAOYSA-N 0 0 310.163 3.419 10 70 DGIERN Cc1ccccc1C(=O)NCC(=O)N1CCC[C@@H](CC(C)C)C1 ZINC000161061460 432757941 /nfs/dbraw/zinc/75/79/41/432757941.db2.gz SYSHCDJTKRFITI-INIZCTEOSA-N 0 0 316.445 3.010 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)[C@@H](C)c2cccnc2)n1 ZINC000161189914 432765436 /nfs/dbraw/zinc/76/54/36/432765436.db2.gz QESRSSYQVQKCQV-AWEZNQCLSA-N 0 0 306.369 3.318 10 70 DGIERN CC(C)n1ccnc1CS(=O)(=O)Cc1ccccc1Cl ZINC000161210245 432766443 /nfs/dbraw/zinc/76/64/43/432766443.db2.gz BIODMZNURDNSFD-UHFFFAOYSA-N 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PBEKAYZQEZTRDK-CQSZACIVSA-N 0 0 324.384 3.061 10 70 DGIERN CN(CCc1ccc(F)cc1)C(=O)C[C@@H]1CSCCS1 ZINC000160747165 432739356 /nfs/dbraw/zinc/73/93/56/432739356.db2.gz DCCNRWFQNXENED-CQSZACIVSA-N 0 0 313.463 3.065 10 70 DGIERN COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000160805409 432743075 /nfs/dbraw/zinc/74/30/75/432743075.db2.gz IICHZPFMOWMJAH-LLVKDONJSA-N 0 0 320.370 3.497 10 70 DGIERN C[C@H](CS[C@@H](C)c1ccc(F)cc1F)CS(C)(=O)=O ZINC000159742656 292799448 /nfs/dbraw/zinc/79/94/48/292799448.db2.gz DLQGFQRRHYLUCE-ZJUUUORDSA-N 0 0 308.415 3.440 10 70 DGIERN C[C@@H](CS[C@@H](C)c1ccc(F)cc1F)CS(C)(=O)=O ZINC000159742518 292799453 /nfs/dbraw/zinc/79/94/53/292799453.db2.gz DLQGFQRRHYLUCE-UWVGGRQHSA-N 0 0 308.415 3.440 10 70 DGIERN COc1ccc(CN(C(=O)[C@@H](C)C2CCOCC2)C2CC2)cc1 ZINC000159761489 292800040 /nfs/dbraw/zinc/80/00/40/292800040.db2.gz INUBQYFNSLYRIN-AWEZNQCLSA-N 0 0 317.429 3.249 10 70 DGIERN COc1ccc(CN(C(=O)[C@H](C)C2CCOCC2)C2CC2)cc1 ZINC000159761607 292800181 /nfs/dbraw/zinc/80/01/81/292800181.db2.gz INUBQYFNSLYRIN-CQSZACIVSA-N 0 0 317.429 3.249 10 70 DGIERN CCC1(NC(=O)COc2ccccc2Br)CCC1 ZINC000160074709 292806953 /nfs/dbraw/zinc/80/69/53/292806953.db2.gz DOXMRLCHBZWTSB-UHFFFAOYSA-N 0 0 312.207 3.277 10 70 DGIERN COC(=O)[C@H](c1cccnc1)N(C)Cc1ccc(F)cc1Cl ZINC000160073517 292806969 /nfs/dbraw/zinc/80/69/69/292806969.db2.gz SHYOBRCIERMPDL-HNNXBMFYSA-N 0 0 322.767 3.220 10 70 DGIERN CCCCCNC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160266849 292811512 /nfs/dbraw/zinc/81/15/12/292811512.db2.gz GFCJXDTXGMPVRM-AWEZNQCLSA-N 0 0 300.406 3.423 10 70 DGIERN CSc1ccc(NC(=O)[C@H](C)Oc2cccc(CO)c2)cc1 ZINC000161103612 292828020 /nfs/dbraw/zinc/82/80/20/292828020.db2.gz PXPPOPIOSTYMSV-LBPRGKRZSA-N 0 0 317.410 3.307 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)N1CCc2ccccc21)c1nccs1 ZINC000161157700 292829348 /nfs/dbraw/zinc/82/93/48/292829348.db2.gz DGAMSGXGEVPFQM-GXTWGEPZSA-N 0 0 315.442 3.162 10 70 DGIERN Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3c(c2)ncn3C)o1 ZINC000160598788 301816890 /nfs/dbraw/zinc/81/68/90/301816890.db2.gz FLAZKMVFJOPUEG-OAHLLOKOSA-N 0 0 324.384 3.237 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CC[C@H]2CC[C@@H](C)O2)n1 ZINC000161151846 525564447 /nfs/dbraw/zinc/56/44/47/525564447.db2.gz IBHRDWHSSFGWII-HUUCEWRRSA-N 0 0 313.401 3.467 10 70 DGIERN CCO[C@H](C)c1noc(CN(CCc2nccs2)C(C)C)n1 ZINC000159854580 528019043 /nfs/dbraw/zinc/01/90/43/528019043.db2.gz QMGMCQJIRFEGBM-GFCCVEGCSA-N 0 0 324.450 3.077 10 70 DGIERN CCO[C@@H](C(=O)Nc1cc(C2CC2)nc(C)n1)c1ccccc1 ZINC000160001920 529093635 /nfs/dbraw/zinc/09/36/35/529093635.db2.gz SKBLPLKBCLTDKG-QGZVFWFLSA-N 0 0 311.385 3.379 10 70 DGIERN CCC(C)(CC)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159382779 546053465 /nfs/dbraw/zinc/05/34/65/546053465.db2.gz UENZOYOTQKRQKS-CYBMUJFWSA-N 0 0 300.406 3.271 10 70 DGIERN Cc1nccc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000159585028 546055269 /nfs/dbraw/zinc/05/52/69/546055269.db2.gz TXWWXGBUDPHGNK-CYBMUJFWSA-N 0 0 313.401 3.311 10 70 DGIERN CC(C)(C)[C@H](O)CNC(=O)CCSc1ccc(Cl)cc1 ZINC000159678664 546055542 /nfs/dbraw/zinc/05/55/42/546055542.db2.gz FSUJOGBYXSUBOJ-CYBMUJFWSA-N 0 0 315.866 3.345 10 70 DGIERN Cc1nc2n(n1)CCC[C@H]2Nc1ccnc2c(F)cc(F)cc12 ZINC000159883252 282107586 /nfs/dbraw/zinc/10/75/86/282107586.db2.gz WUXXBMLUDWQVQB-CQSZACIVSA-N 0 0 315.327 3.360 10 70 DGIERN CCc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000161224984 529569968 /nfs/dbraw/zinc/56/99/68/529569968.db2.gz NGMQPWSNIGVNMC-CQSZACIVSA-N 0 0 320.396 3.321 10 70 DGIERN CC[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1nccs1 ZINC000159787043 529638046 /nfs/dbraw/zinc/63/80/46/529638046.db2.gz NMHNXPAKQPDOLY-GXFFZTMASA-N 0 0 305.403 3.360 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000161344577 197487771 /nfs/dbraw/zinc/48/77/71/197487771.db2.gz PUGHFQAZNFIMGL-WDYCEAGBSA-N 0 0 316.445 3.393 10 70 DGIERN CSc1ccccc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160421271 197409139 /nfs/dbraw/zinc/40/91/39/197409139.db2.gz LWLJGHLPOMRCDG-CXAGYDPISA-N 0 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323.396 3.413 10 70 DGIERN CC[C@@H](NS(=O)(=O)c1ccc(C)cc1F)c1nccs1 ZINC000159912958 292803017 /nfs/dbraw/zinc/80/30/17/292803017.db2.gz ZMYBLVHQXILGJY-LLVKDONJSA-N 0 0 314.407 3.020 10 70 DGIERN Cc1ccc(OCC(=O)Nc2cc(C3CC3)nc(C)n2)c(C)c1 ZINC000160106049 292807480 /nfs/dbraw/zinc/80/74/80/292807480.db2.gz LEFLITFPXRWETM-UHFFFAOYSA-N 0 0 311.385 3.297 10 70 DGIERN CC[C@@H](NC(=O)NCCc1ccc(C)cc1)c1nccs1 ZINC000160182750 292809688 /nfs/dbraw/zinc/80/96/88/292809688.db2.gz MLNLWWNSMUITEO-CQSZACIVSA-N 0 0 303.431 3.445 10 70 DGIERN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(CO)CC1 ZINC000160285190 292811268 /nfs/dbraw/zinc/81/12/68/292811268.db2.gz DSHVSHPJNSSBHH-MRVPVSSYSA-N 0 0 320.241 3.115 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)NCc1ccc(F)cc1)c1nccs1 ZINC000161093270 292828180 /nfs/dbraw/zinc/82/81/80/292828180.db2.gz KYXJDKQGCAWBFP-SMDDNHRTSA-N 0 0 321.421 3.028 10 70 DGIERN CCN(C(=O)NCCCc1nc(C(C)C)no1)[C@@H](C)C(C)C ZINC000161197844 292830907 /nfs/dbraw/zinc/83/09/07/292830907.db2.gz 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Cc1ccc(O[C@@H](C)C(=O)Nc2cc(C3CC3)nc(C)n2)cc1 ZINC000160108509 546058267 /nfs/dbraw/zinc/05/82/67/546058267.db2.gz JKNVPMIYXKXPDO-LBPRGKRZSA-N 0 0 311.385 3.377 10 70 DGIERN C[C@@H](CO)[C@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000160332900 546059778 /nfs/dbraw/zinc/05/97/78/546059778.db2.gz NDYONIPSYGEQRZ-YUMQZZPRSA-N 0 0 315.797 3.441 10 70 DGIERN O=C(NC1(CO)CC1)c1ccc(N2CCCc3ccccc32)cc1 ZINC000160499930 546060827 /nfs/dbraw/zinc/06/08/27/546060827.db2.gz LIHAGBJTJXMJJR-UHFFFAOYSA-N 0 0 322.408 3.026 10 70 DGIERN C[C@@H](c1ccc(F)cc1Br)S(=O)(=O)Cl ZINC000235245857 568412634 /nfs/dbraw/zinc/41/26/34/568412634.db2.gz ZXDMYHFURKSPBY-YFKPBYRVSA-N 0 0 301.564 3.218 10 70 DGIERN Fc1cc(F)c2nccc(N[C@H]3CCCn4ncnc43)c2c1 ZINC000159892862 282963368 /nfs/dbraw/zinc/96/33/68/282963368.db2.gz IAOIZWZGNREXON-ZDUSSCGKSA-N 0 0 301.300 3.052 10 70 DGIERN CCCNC(=O)CCCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000159749815 186139332 /nfs/dbraw/zinc/13/93/32/186139332.db2.gz SBDUFKDFQBEVGR-YOEHRIQHSA-N 0 0 316.445 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CC(C)(C)[C@@H]1CCc2sc(C(=O)NC3(CO)CC3)cc2C1 ZINC000160249114 292810813 /nfs/dbraw/zinc/81/08/13/292810813.db2.gz JIEUFNPGHKRQNJ-GFCCVEGCSA-N 0 0 307.459 3.154 10 70 DGIERN CN(C(=O)c1cccc2ncccc21)c1ccc2c(c1)OCO2 ZINC000160382583 292813587 /nfs/dbraw/zinc/81/35/87/292813587.db2.gz VWSIJYYZMHAIEM-UHFFFAOYSA-N 0 0 306.321 3.240 10 70 DGIERN CCN(C[C@H]1CCCO1)C(=O)[C@]1(C)CCCc2ccccc21 ZINC000160955393 292824618 /nfs/dbraw/zinc/82/46/18/292824618.db2.gz YRHAOOUGIVLVBC-VQIMIIECSA-N 0 0 301.430 3.308 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)NCc1ccc(C)cc1)c1nccs1 ZINC000161174937 292830169 /nfs/dbraw/zinc/83/01/69/292830169.db2.gz WOWSHQQDDJQGGW-UKRRQHHQSA-N 0 0 317.458 3.197 10 70 DGIERN C[C@@H](C(=O)N(Cc1ccccc1F)C1CC1)C1CCOCC1 ZINC000161182993 292830958 /nfs/dbraw/zinc/83/09/58/292830958.db2.gz ZDGWNDQGBSANFN-CYBMUJFWSA-N 0 0 305.393 3.379 10 70 DGIERN COc1cccc([C@@H](C)C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000160130983 533697652 /nfs/dbraw/zinc/69/76/52/533697652.db2.gz ZUTMZZGHMQHPHG-LLVKDONJSA-N 0 0 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/nfs/dbraw/zinc/68/73/65/432687365.db2.gz QQYDKXRURPVITP-OAHLLOKOSA-N 0 0 316.445 3.490 10 70 DGIERN C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc(F)c(Cl)c1 ZINC000160908860 432749260 /nfs/dbraw/zinc/74/92/60/432749260.db2.gz OMFQNSYQYVHVDH-ZUZCIYMTSA-N 0 0 314.788 3.097 10 70 DGIERN C[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)c(Cl)c1 ZINC000160909103 432749656 /nfs/dbraw/zinc/74/96/56/432749656.db2.gz OMFQNSYQYVHVDH-BONVTDFDSA-N 0 0 314.788 3.097 10 70 DGIERN Cc1nccn1C[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000160995374 432752524 /nfs/dbraw/zinc/75/25/24/432752524.db2.gz GHFFREOIWMWFDR-MRXNPFEDSA-N 0 0 303.450 3.399 10 70 DGIERN COc1cccc(Cl)c1CC(=O)NC[C@@H](C)c1nccs1 ZINC000161062090 432757905 /nfs/dbraw/zinc/75/79/05/432757905.db2.gz BILVRJLIMCRTRB-SNVBAGLBSA-N 0 0 324.833 3.268 10 70 DGIERN CNC(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1Cl ZINC000161141591 432761606 /nfs/dbraw/zinc/76/16/06/432761606.db2.gz MPJJJWUGTWPPMS-UHFFFAOYSA-N 0 0 321.808 3.322 10 70 DGIERN O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccon2)C1 ZINC000161138142 432761907 /nfs/dbraw/zinc/76/19/07/432761907.db2.gz WPPVODZEQWLGQI-KBPBESRZSA-N 0 0 312.291 3.001 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)CC[C@H]2CCCCO2)n1 ZINC000161204495 432767101 /nfs/dbraw/zinc/76/71/01/432767101.db2.gz AFLPKPUNCIWYBZ-OAHLLOKOSA-N 0 0 313.401 3.469 10 70 DGIERN C[C@@H]1C[C@@H]1NC(=O)CSc1cccc(Br)c1 ZINC000161282291 432770614 /nfs/dbraw/zinc/77/06/14/432770614.db2.gz QKWYVYOIUJIVQU-KCJUWKMLSA-N 0 0 300.221 3.066 10 70 DGIERN CCc1ccc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)o1 ZINC000161323104 432773284 /nfs/dbraw/zinc/77/32/84/432773284.db2.gz ABULIQGYVNMJBW-SIFUEBAJSA-N 0 0 313.401 3.125 10 70 DGIERN CCOc1ccccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000161437653 432779556 /nfs/dbraw/zinc/77/95/56/432779556.db2.gz RFYDIZQATXMUSI-OAHLLOKOSA-N 0 0 304.415 3.115 10 70 DGIERN CCC[C@H](C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161453698 432779639 /nfs/dbraw/zinc/77/96/39/432779639.db2.gz JUWMGRSHBNCZRR-SMDDNHRTSA-N 0 0 314.376 3.196 10 70 DGIERN CC(C)(C)c1nc(CN2CCO[C@@H](c3nccs3)C2)cs1 ZINC000161444985 432779825 /nfs/dbraw/zinc/77/98/25/432779825.db2.gz MTTAPUXYUHQKNK-GFCCVEGCSA-N 0 0 323.487 3.471 10 70 DGIERN Cc1ncc(CN2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000160608174 432730523 /nfs/dbraw/zinc/73/05/23/432730523.db2.gz OMGVKXWTHNUDBX-AWEZNQCLSA-N 0 0 317.462 3.107 10 70 DGIERN CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000160710390 432737722 /nfs/dbraw/zinc/73/77/22/432737722.db2.gz HENKSROZXUWQEI-IAOVAPTHSA-N 0 0 317.429 3.371 10 70 DGIERN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)C2CCOCC2)cc1 ZINC000160716231 432737839 /nfs/dbraw/zinc/73/78/39/432737839.db2.gz ZJQLLXGVTCSGTI-KBXCAEBGSA-N 0 0 317.429 3.421 10 70 DGIERN CC[C@@](C)(O)CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160859536 432745343 /nfs/dbraw/zinc/74/53/43/432745343.db2.gz FIJDUFNAKBYYEH-LSDHHAIUSA-N 0 0 301.789 3.013 10 70 DGIERN CC(C)[C@@H](O)CC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000159460048 292793072 /nfs/dbraw/zinc/79/30/72/292793072.db2.gz QKAVYLOGCWVBJR-VJFUWPCTSA-N 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/nfs/dbraw/zinc/82/92/95/292829295.db2.gz DGAMSGXGEVPFQM-JSGCOSHPSA-N 0 0 315.442 3.162 10 70 DGIERN CC[C@H](N[C@@H](C)C(=O)NCc1ccccc1C)c1nccs1 ZINC000161140486 292829417 /nfs/dbraw/zinc/82/94/17/292829417.db2.gz JRSFZDLXDLXIRP-ZFWWWQNUSA-N 0 0 317.458 3.197 10 70 DGIERN CCc1cc(C)c(C(=O)Nc2cc(OC)c(OC)cc2OC)o1 ZINC000161302756 292833409 /nfs/dbraw/zinc/83/34/09/292833409.db2.gz YOIJUNZJRBGBES-UHFFFAOYSA-N 0 0 319.357 3.429 10 70 DGIERN CCC[C@@H](NC(=O)CCc1ccsc1)C(=O)OC(C)(C)C ZINC000161331399 292833832 /nfs/dbraw/zinc/83/38/32/292833832.db2.gz TZTIJVXNIVHFQC-CYBMUJFWSA-N 0 0 311.447 3.307 10 70 DGIERN Cc1ccc([C@@H]2CCCCCN2C(=O)NCC2(C)COC2)o1 ZINC000159851962 301724082 /nfs/dbraw/zinc/72/40/82/301724082.db2.gz HEGYFUWCSBADKD-AWEZNQCLSA-N 0 0 306.406 3.251 10 70 DGIERN Cc1c(C(=O)Nc2cc(C3CC3)nc(C)n2)cnn1C(C)(C)C ZINC000160300211 533821284 /nfs/dbraw/zinc/82/12/84/533821284.db2.gz WWIGVTKNKIYAPI-UHFFFAOYSA-N 0 0 313.405 3.175 10 70 DGIERN C[C@H]1C[C@@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160633819 534105293 /nfs/dbraw/zinc/10/52/93/534105293.db2.gz NUUZGRVVCZHYKL-ZANVPECISA-N 0 0 322.771 3.254 10 70 DGIERN CC(C)c1csc([C@@H]2CCCN(C(=O)C[C@H](O)C(C)C)C2)n1 ZINC000160921285 519857017 /nfs/dbraw/zinc/85/70/17/519857017.db2.gz ASRWKIHWHSSMHQ-HIFRSBDPSA-N 0 0 324.490 3.380 10 70 DGIERN CCc1nc(CN2CCC(c3cnn(CC)c3)CC2)cs1 ZINC000160473271 522301137 /nfs/dbraw/zinc/30/11/37/522301137.db2.gz DTIJCCJMHHUNLS-UHFFFAOYSA-N 0 0 304.463 3.302 10 70 DGIERN C[C@@H](NC(=O)NCC1(C2CC2)CC1)c1ccccc1-n1cccn1 ZINC000160353398 525193038 /nfs/dbraw/zinc/19/30/38/525193038.db2.gz ZMRBQCWPRPDOQC-CQSZACIVSA-N 0 0 324.428 3.423 10 70 DGIERN Cc1ccccc1[C@H](C)NC(=O)NCCCC(=O)OC(C)C ZINC000159451838 525411048 /nfs/dbraw/zinc/41/10/48/525411048.db2.gz STMIAWNPJVKPMM-AWEZNQCLSA-N 0 0 306.406 3.087 10 70 DGIERN C[C@@H](N[C@H]1CCCn2ncnc21)c1cccc(Br)c1 ZINC000159775249 525681761 /nfs/dbraw/zinc/68/17/61/525681761.db2.gz AWYSMOKLZCOXGK-MFKMUULPSA-N 0 0 321.222 3.226 10 70 DGIERN Cc1noc([C@@H]2COCCN2Cc2ccc3ccccc3c2)n1 ZINC000160830726 526657919 /nfs/dbraw/zinc/65/79/19/526657919.db2.gz CEULPXUDRPVDJD-KRWDZBQOSA-N 0 0 309.369 3.105 10 70 DGIERN Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160193464 546058919 /nfs/dbraw/zinc/05/89/19/546058919.db2.gz WKPMFKFQBFFOSM-QMMMGPOBSA-N 0 0 300.362 3.009 10 70 DGIERN Cc1noc(C)c1[C@@H](C)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161370827 546067880 /nfs/dbraw/zinc/06/78/80/546067880.db2.gz AATHJQIGKWYMND-ZWNOBZJWSA-N 0 0 320.414 3.057 10 70 DGIERN COc1ccc([C@@H](C)S(=O)(=O)Cl)cc1Br ZINC000259363049 546337364 /nfs/dbraw/zinc/33/73/64/546337364.db2.gz QIIJRWGZULEJKB-ZCFIWIBFSA-N 0 0 313.600 3.087 10 70 DGIERN CCCNC(=O)CCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000159749945 186139067 /nfs/dbraw/zinc/13/90/67/186139067.db2.gz SBDUFKDFQBEVGR-RHSMWYFYSA-N 0 0 316.445 3.438 10 70 DGIERN O=C(CSc1ccccc1)N1CCO[C@@H](c2cccs2)C1 ZINC000161477233 197498560 /nfs/dbraw/zinc/49/85/60/197498560.db2.gz FQEANPFMLJTPRT-CQSZACIVSA-N 0 0 319.451 3.440 10 70 DGIERN Nc1cccc2c1CCCN2Cc1cncc(Br)c1 ZINC000161012811 197457771 /nfs/dbraw/zinc/45/77/71/197457771.db2.gz OLFPRDCMXXKVEE-UHFFFAOYSA-N 0 0 318.218 3.379 10 70 DGIERN CCS(=O)(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000160484453 197414510 /nfs/dbraw/zinc/41/45/10/197414510.db2.gz BMNJLYOEPGZYRD-UHFFFAOYSA-N 0 0 322.430 3.102 10 70 DGIERN C[C@H](Cc1cccs1)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159950563 197376222 /nfs/dbraw/zinc/37/62/22/197376222.db2.gz ZDISYNSDHQIHHU-CKEIUWERSA-N 0 0 322.474 3.016 10 70 DGIERN COC(=O)C[C@H](C)C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159838595 197368415 /nfs/dbraw/zinc/36/84/15/197368415.db2.gz WSXSGNYLFCWVPJ-UONOGXRCSA-N 0 0 321.417 3.098 10 70 DGIERN O=C(Cl)c1c(Cl)ccc(S(=O)(=O)Cl)c1Cl ZINC000159139664 400728916 /nfs/dbraw/zinc/72/89/16/400728916.db2.gz NUGHHZOTJDPKAL-UHFFFAOYSA-N 0 0 307.969 3.300 10 70 DGIERN O=C(NCCCOCC(F)(F)F)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160260405 400733625 /nfs/dbraw/zinc/73/36/25/400733625.db2.gz MDUDXLRATGBTTG-CHWSQXEVSA-N 0 0 307.356 3.288 10 70 DGIERN CCOC(=O)c1cnn(C(C)(C)C)c1-c1ccc(OC)cc1 ZINC000217813582 400951133 /nfs/dbraw/zinc/95/11/33/400951133.db2.gz MYSGSFOMQIWMFM-UHFFFAOYSA-N 0 0 302.374 3.490 10 70 DGIERN CC(C)[C@H](O)CC(=O)Nc1nc2ccccc2n1C1CCCC1 ZINC000160730047 292821389 /nfs/dbraw/zinc/82/13/89/292821389.db2.gz APYVBMKXUVNVOR-MRXNPFEDSA-N 0 0 315.417 3.497 10 70 DGIERN CN(C(=O)c1cnc2c(c1)ncn2C)C1CCC(C)(C)CC1 ZINC000160774688 228249019 /nfs/dbraw/zinc/24/90/19/228249019.db2.gz CWAALRICFXCFLB-UHFFFAOYSA-N 0 0 300.406 3.009 10 70 DGIERN CC1(C)C[C@H](NC(=O)c2ccc(NC=O)cc2)c2ccccc2O1 ZINC000159951735 278386766 /nfs/dbraw/zinc/38/67/66/278386766.db2.gz NYFIFAZVSJAVLH-INIZCTEOSA-N 0 0 324.380 3.287 10 70 DGIERN C[C@@H]1CN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)C[C@@H](C)O1 ZINC000216873898 432653571 /nfs/dbraw/zinc/65/35/71/432653571.db2.gz OFAWNHZOSXGBBM-XNJGSVPQSA-N 0 0 320.408 3.486 10 70 DGIERN C[C@@H](NC(=O)[C@@H](C)c1cccnc1)c1ccccc1-n1cccn1 ZINC000159786310 432694897 /nfs/dbraw/zinc/69/48/97/432694897.db2.gz ZMZPATSAXIUQAD-LSDHHAIUSA-N 0 0 320.396 3.248 10 70 DGIERN CCn1cc(C2CCN(C(=O)N[C@H](C)C(C)(C)C)CC2)cn1 ZINC000159793069 432695295 /nfs/dbraw/zinc/69/52/95/432695295.db2.gz UXLBVGHNRJJMKV-CYBMUJFWSA-N 0 0 306.454 3.227 10 70 DGIERN CN(C)C(=O)c1ccc(CN2CC=C(c3ccccc3)CC2)[nH]1 ZINC000159752018 432695816 /nfs/dbraw/zinc/69/58/16/432695816.db2.gz RTIJBURYAUBAKS-UHFFFAOYSA-N 0 0 309.413 3.006 10 70 DGIERN Cc1ccccc1CCCSC[C@@H](C)CS(C)(=O)=O ZINC000159832150 432697004 /nfs/dbraw/zinc/69/70/04/432697004.db2.gz PFYOTYJMZUMYKL-CYBMUJFWSA-N 0 0 300.489 3.342 10 70 DGIERN CCOCc1ccc(CNC(=O)c2c(C)[nH]nc2C(C)C)cc1 ZINC000159823424 432697788 /nfs/dbraw/zinc/69/77/88/432697788.db2.gz GVWLXCGJMRCMFI-UHFFFAOYSA-N 0 0 315.417 3.308 10 70 DGIERN CCCCN(CCOC)C(=O)Cc1c(Cl)cccc1OC ZINC000159939102 432700720 /nfs/dbraw/zinc/70/07/20/432700720.db2.gz DQJPQIAPYFUDPA-UHFFFAOYSA-N 0 0 313.825 3.166 10 70 DGIERN Cc1[nH]nc(C(C)C)c1C(=O)N(C)CCCOc1ccccc1 ZINC000159926009 432701372 /nfs/dbraw/zinc/70/13/72/432701372.db2.gz UCYACIGJPVRGPP-UHFFFAOYSA-N 0 0 315.417 3.383 10 70 DGIERN Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2F)n1 ZINC000159954069 432703444 /nfs/dbraw/zinc/70/34/44/432703444.db2.gz NGGDMCBKDWKTTI-KRWDZBQOSA-N 0 0 313.376 3.305 10 70 DGIERN CCC(CC)(CC)CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000159968808 432703645 /nfs/dbraw/zinc/70/36/45/432703645.db2.gz FLKYHKSNCNTJLH-HNNXBMFYSA-N 0 0 306.454 3.483 10 70 DGIERN CC[C@H](NC(=O)c1ncccc1OC(C)C)c1c(C)noc1C ZINC000160209965 432709866 /nfs/dbraw/zinc/70/98/66/432709866.db2.gz XGDVISJYAGQYTH-ZDUSSCGKSA-N 0 0 317.389 3.355 10 70 DGIERN CCN(CCNC(=O)[C@H](C)C1CCOCC1)c1cccc(C)c1 ZINC000160341378 432716106 /nfs/dbraw/zinc/71/61/06/432716106.db2.gz JSBXUVLBOHLKQI-MRXNPFEDSA-N 0 0 318.461 3.000 10 70 DGIERN O=C(NCCC1=CCCC1)Nc1cccc(N2CCCC2=O)c1 ZINC000160428768 432720867 /nfs/dbraw/zinc/72/08/67/432720867.db2.gz RZYYHIVRUTXZMW-UHFFFAOYSA-N 0 0 313.401 3.435 10 70 DGIERN CC(C)OC(=O)CCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000159466089 432683571 /nfs/dbraw/zinc/68/35/71/432683571.db2.gz YKOQUGPMJZCSNS-MRXNPFEDSA-N 0 0 318.417 3.095 10 70 DGIERN COC(=O)[C@H](N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159545522 432686284 /nfs/dbraw/zinc/68/62/84/432686284.db2.gz NDWNNMSHCKVING-IAGOWNOFSA-N 0 0 314.360 3.102 10 70 DGIERN CCn1cc(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)cn1 ZINC000159595844 432688165 /nfs/dbraw/zinc/68/81/65/432688165.db2.gz SYAIVCCTPOUPTM-AWEZNQCLSA-N 0 0 315.417 3.429 10 70 DGIERN CCCN(CCC)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159636455 432690827 /nfs/dbraw/zinc/69/08/27/432690827.db2.gz GMONMOJSTDBGQL-CYBMUJFWSA-N 0 0 324.856 3.145 10 70 DGIERN C[C@@H]1C[C@H]1NC(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000161004456 432754676 /nfs/dbraw/zinc/75/46/76/432754676.db2.gz HWEDJZTVSWRWAQ-NOZJJQNGSA-N 0 0 324.306 3.421 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)Nc1cccc(F)c1)c1nccs1 ZINC000161058247 432756767 /nfs/dbraw/zinc/75/67/67/432756767.db2.gz FNULMAJSRHJWTI-ZWNOBZJWSA-N 0 0 307.394 3.350 10 70 DGIERN CCCC(O)(CCC)CC(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000161076469 432758127 /nfs/dbraw/zinc/75/81/27/432758127.db2.gz CBDJVXYYICZDAR-UHFFFAOYSA-N 0 0 316.405 3.132 10 70 DGIERN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2ccon2)C1 ZINC000161138505 432761482 /nfs/dbraw/zinc/76/14/82/432761482.db2.gz WPPVODZEQWLGQI-ZIAGYGMSSA-N 0 0 312.291 3.001 10 70 DGIERN CCCC[C@@H](NC(=O)[C@@H](CC)SC)C(=O)OC(C)(C)C ZINC000161166717 432763817 /nfs/dbraw/zinc/76/38/17/432763817.db2.gz WKZYVRCACHHUEY-VXGBXAGGSA-N 0 0 303.468 3.145 10 70 DGIERN O=C(Cc1ccccc1F)N1CCO[C@H](c2cccs2)C1 ZINC000161226648 432767426 /nfs/dbraw/zinc/76/74/26/432767426.db2.gz VEYUWNIFNVCMFC-AWEZNQCLSA-N 0 0 305.374 3.030 10 70 DGIERN CO[C@H](C(=O)N1CCO[C@@H](c2cccs2)C1)c1ccccc1 ZINC000161239414 432767892 /nfs/dbraw/zinc/76/78/92/432767892.db2.gz SIJGUYWAOXWMKS-ZBFHGGJFSA-N 0 0 317.410 3.036 10 70 DGIERN O=C(NCCC1=CCCC1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000161239668 432768700 /nfs/dbraw/zinc/76/87/00/432768700.db2.gz AZLGAVPDKXKSMI-UHFFFAOYSA-N 0 0 315.295 3.016 10 70 DGIERN CCOC(=O)[C@H]1CCCCN1Cc1cnc(CC(C)C)s1 ZINC000161285527 432771246 /nfs/dbraw/zinc/77/12/46/432771246.db2.gz BFFZDQLZFATVHD-CQSZACIVSA-N 0 0 310.463 3.259 10 70 DGIERN COCc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000161355390 432774204 /nfs/dbraw/zinc/77/42/04/432774204.db2.gz QJJRDLIRVVZTKO-OAHLLOKOSA-N 0 0 317.410 3.108 10 70 DGIERN CCn1cnnc1[C@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000161339445 432774641 /nfs/dbraw/zinc/77/46/41/432774641.db2.gz RJFUSDMGPXJNNY-LBPRGKRZSA-N 0 0 322.815 3.470 10 70 DGIERN CC[C@H](NC(=O)[C@H](C)C1CCOCC1)c1ccc(OC)cc1 ZINC000161419964 432778639 /nfs/dbraw/zinc/77/86/39/432778639.db2.gz FTKOJHWLTDYJCO-DYVFJYSZSA-N 0 0 305.418 3.325 10 70 DGIERN Cc1nc(COC(=O)[C@H]2Oc3ccccc3[C@H]2C)c(C)s1 ZINC000161465281 432781225 /nfs/dbraw/zinc/78/12/25/432781225.db2.gz YYEWUJAQJMOLIJ-PSLIRLAXSA-N 0 0 303.383 3.368 10 70 DGIERN Cc1nc(COC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c(C)s1 ZINC000161465415 432781344 /nfs/dbraw/zinc/78/13/44/432781344.db2.gz 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/nfs/dbraw/zinc/79/50/46/292795046.db2.gz UZXLKCMCXORALT-CKEIUWERSA-N 0 0 318.486 3.179 10 70 DGIERN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000159890402 292803066 /nfs/dbraw/zinc/80/30/66/292803066.db2.gz UCSLQTJQZKLIFH-JKSUJKDBSA-N 0 0 323.396 3.413 10 70 DGIERN CC[C@H](NS(=O)(=O)c1cc(C)ccc1F)c1nccs1 ZINC000159951044 292804387 /nfs/dbraw/zinc/80/43/87/292804387.db2.gz HDOYTGWJIQTZMQ-NSHDSACASA-N 0 0 314.407 3.020 10 70 DGIERN CCCC[C@@H](COC)NC(=O)Cc1c(Cl)cccc1OC ZINC000160036544 292805605 /nfs/dbraw/zinc/80/56/05/292805605.db2.gz WBSLTVHJYZVNCH-LBPRGKRZSA-N 0 0 313.825 3.213 10 70 DGIERN C[C@@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)C1CCOCC1 ZINC000160211864 292810252 /nfs/dbraw/zinc/81/02/52/292810252.db2.gz CTHWRIFWAOVGGJ-CYBMUJFWSA-N 0 0 305.393 3.379 10 70 DGIERN C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC1)C1CCOCC1 ZINC000160211741 292810253 /nfs/dbraw/zinc/81/02/53/292810253.db2.gz CTHWRIFWAOVGGJ-ZDUSSCGKSA-N 0 0 305.393 3.379 10 70 DGIERN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1(CO)CC1 ZINC000160285041 292811391 /nfs/dbraw/zinc/81/13/91/292811391.db2.gz DSHVSHPJNSSBHH-QMMMGPOBSA-N 0 0 320.241 3.115 10 70 DGIERN Cc1cc(Oc2ccc(NC(=O)[C@H]3CC[C@@H](C)O3)cc2)n[nH]1 ZINC000160423214 292814298 /nfs/dbraw/zinc/81/42/98/292814298.db2.gz KVQFCGFEEKFSMJ-BXUZGUMPSA-N 0 0 301.346 3.016 10 70 DGIERN C[C@H](C(=O)NCCCCOc1ccc(F)cc1)C1CCOCC1 ZINC000160927329 292824752 /nfs/dbraw/zinc/82/47/52/292824752.db2.gz OYICGXWEPAZFJP-AWEZNQCLSA-N 0 0 323.408 3.164 10 70 DGIERN C[C@H](C(=O)N(Cc1ccccc1F)C1CC1)C1CCOCC1 ZINC000161182877 292831013 /nfs/dbraw/zinc/83/10/13/292831013.db2.gz ZDGWNDQGBSANFN-ZDUSSCGKSA-N 0 0 305.393 3.379 10 70 DGIERN c1ccc(OCCOCCn2nc(C3CC3)nc2C2CC2)cc1 ZINC000161494527 292836345 /nfs/dbraw/zinc/83/63/45/292836345.db2.gz YJRCFZHQHMJBON-UHFFFAOYSA-N 0 0 313.401 3.129 10 70 DGIERN C[C@@H]1C[C@H]1NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000160633939 534041623 /nfs/dbraw/zinc/04/16/23/534041623.db2.gz NUUZGRVVCZHYKL-NOZJJQNGSA-N 0 0 322.771 3.254 10 70 DGIERN COCCC1(C(=O)N2CC=C(c3ccccc3F)CC2)CC1 ZINC000159680597 522997920 /nfs/dbraw/zinc/99/79/20/522997920.db2.gz NSPGLDMUORJBGJ-UHFFFAOYSA-N 0 0 303.377 3.258 10 70 DGIERN Cc1ccccc1[C@@H](C)NC(=O)NCCCC(=O)OC(C)C ZINC000159451657 525354887 /nfs/dbraw/zinc/35/48/87/525354887.db2.gz STMIAWNPJVKPMM-CQSZACIVSA-N 0 0 306.406 3.087 10 70 DGIERN CC[C@@H]1CN(C(=O)Nc2ccc3oc(C)nc3c2)CCS1 ZINC000159462322 529372981 /nfs/dbraw/zinc/37/29/81/529372981.db2.gz JWONATFDZZVSMZ-GFCCVEGCSA-N 0 0 305.403 3.496 10 70 DGIERN O=C(NC[C@H]1C[C@@H]1c1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000159655630 546054916 /nfs/dbraw/zinc/05/49/16/546054916.db2.gz OEPJTKIKJAMQMX-IAGOWNOFSA-N 0 0 324.428 3.102 10 70 DGIERN CC(C)N(CCc1nccs1)C(=O)NC[C@H]1CCCS1 ZINC000159756319 546056394 /nfs/dbraw/zinc/05/63/94/546056394.db2.gz IHZZIURYYHPMSA-GFCCVEGCSA-N 0 0 313.492 3.001 10 70 DGIERN C[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)cc1)C1CCOCC1 ZINC000161283583 546066741 /nfs/dbraw/zinc/06/67/41/546066741.db2.gz MRMAGXNOYKNFJJ-LBPRGKRZSA-N 0 0 316.401 3.036 10 70 DGIERN CN1CCN(Cc2noc3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000161339066 546068497 /nfs/dbraw/zinc/06/84/97/546068497.db2.gz HOORPGGWSVLTNI-SFHVURJKSA-N 0 0 311.429 3.042 10 70 DGIERN CC(=O)NC1CCC(Nc2cc(F)ccc2OC(C)C)CC1 ZINC000161168175 197471760 /nfs/dbraw/zinc/47/17/60/197471760.db2.gz FGXDECZKSFGQQR-UHFFFAOYSA-N 0 0 308.397 3.472 10 70 DGIERN Cc1ccc(C(=O)NCC[C@@H](C)O)c(Sc2ccccc2)n1 ZINC000161159093 197470386 /nfs/dbraw/zinc/47/03/86/197470386.db2.gz XHYSSQHMSLAACC-CYBMUJFWSA-N 0 0 316.426 3.042 10 70 DGIERN COCCC(C)(C)CNC(=O)Cc1c(Cl)cccc1OC ZINC000161071617 197461667 /nfs/dbraw/zinc/46/16/67/197461667.db2.gz YAVJGOSFAHJYFY-UHFFFAOYSA-N 0 0 313.825 3.070 10 70 DGIERN Cc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1Cl ZINC000160383753 197405671 /nfs/dbraw/zinc/40/56/71/197405671.db2.gz PRZYBJZAEVNAQT-GUYCJALGSA-N 0 0 307.821 3.416 10 70 DGIERN CCCN(CC1CCCCC1)C(=O)c1cnc2c(c1)ncn2C ZINC000160200944 197392806 /nfs/dbraw/zinc/39/28/06/197392806.db2.gz VSAGDNDZCFAAOW-UHFFFAOYSA-N 0 0 314.433 3.401 10 70 DGIERN CNC(=O)[C@@H]1CCCC[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000160043216 197381880 /nfs/dbraw/zinc/38/18/80/197381880.db2.gz UNNOLFBQILAUDX-BXUZGUMPSA-N 0 0 319.355 3.230 10 70 DGIERN CSCCC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000160092889 197385409 /nfs/dbraw/zinc/38/54/09/197385409.db2.gz VKWMRYUNJHFNFO-KRWDZBQOSA-N 0 0 300.427 3.349 10 70 DGIERN CC[C@@H](C(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000160078597 197384416 /nfs/dbraw/zinc/38/44/16/197384416.db2.gz QLZCVFQOLMHOCW-WMLDXEAASA-N 0 0 315.392 3.069 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N(C)[C@@H](C)CCSC ZINC000160038499 197380971 /nfs/dbraw/zinc/38/09/71/197380971.db2.gz FNQXAYWBJDUFCQ-NSHDSACASA-N 0 0 315.866 3.491 10 70 DGIERN COCc1ccc(C(=O)Nc2cccc(Br)c2)o1 ZINC000160036791 197380750 /nfs/dbraw/zinc/38/07/50/197380750.db2.gz XSTVEJNZOSGCQK-UHFFFAOYSA-N 0 0 310.147 3.441 10 70 DGIERN COC(=O)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159838969 197368609 /nfs/dbraw/zinc/36/86/09/197368609.db2.gz WSXSGNYLFCWVPJ-KGLIPLIRSA-N 0 0 321.417 3.098 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCOC2)cc1 ZINC000159819656 197366627 /nfs/dbraw/zinc/36/66/27/197366627.db2.gz VVHRATFVYYZOBE-GDBMZVCRSA-N 0 0 305.418 3.325 10 70 DGIERN CC(C)COc1ccc([C@H](C)NC(=O)COCC2CC2)cc1 ZINC000159487629 197357614 /nfs/dbraw/zinc/35/76/14/197357614.db2.gz AMWZSFDCCDPYGZ-AWEZNQCLSA-N 0 0 305.418 3.325 10 70 DGIERN C[C@H]1CC(=O)CC[C@@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000160316768 279630668 /nfs/dbraw/zinc/63/06/68/279630668.db2.gz JMINDUWBSIVYSG-BBRMVZONSA-N 0 0 315.388 3.447 10 70 DGIERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000159655765 432692779 /nfs/dbraw/zinc/69/27/79/432692779.db2.gz OEPJTKIKJAMQMX-IRXDYDNUSA-N 0 0 324.428 3.102 10 70 DGIERN CCc1onc(C)c1C(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000159782678 432696182 /nfs/dbraw/zinc/69/61/82/432696182.db2.gz PNZUQGRKWHBAFE-UHFFFAOYSA-N 0 0 320.776 3.064 10 70 DGIERN Cc1cc(OCc2noc(-c3ccc(Cl)cc3)n2)nn1C ZINC000159812942 432698227 /nfs/dbraw/zinc/69/82/27/432698227.db2.gz RRXGUHKRUWSJIN-UHFFFAOYSA-N 0 0 304.737 3.011 10 70 DGIERN CCc1cccc(CC(=O)N[C@H](COC)c2ccc(C)o2)c1 ZINC000159899009 432701521 /nfs/dbraw/zinc/70/15/21/432701521.db2.gz PGLCDIAOTKZMMW-MRXNPFEDSA-N 0 0 301.386 3.197 10 70 DGIERN CCOc1cccnc1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159912897 432701570 /nfs/dbraw/zinc/70/15/70/432701570.db2.gz RGLFYKILQWTHBC-GFCCVEGCSA-N 0 0 302.399 3.349 10 70 DGIERN CCC(CC)(CC)CNC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000159968673 432702424 /nfs/dbraw/zinc/70/24/24/432702424.db2.gz FLKYHKSNCNTJLH-OAHLLOKOSA-N 0 0 306.454 3.483 10 70 DGIERN COCCC1(C(=O)N(C)CCOc2ccc(C)cc2)CCC1 ZINC000160067788 432704426 /nfs/dbraw/zinc/70/44/26/432704426.db2.gz PPJPDVFRBHWEBE-UHFFFAOYSA-N 0 0 305.418 3.039 10 70 DGIERN COc1ccccc1N1CC[C@@H](NC(=O)N[C@H](C)CC(C)C)C1 ZINC000160238075 432712130 /nfs/dbraw/zinc/71/21/30/432712130.db2.gz PJWDRMKHIFIQQI-HUUCEWRRSA-N 0 0 319.449 3.008 10 70 DGIERN Cc1cc(Oc2ccc(NC(=O)[C@@H]3CC[C@@H](C)O3)cc2)n[nH]1 ZINC000160423081 432719872 /nfs/dbraw/zinc/71/98/72/432719872.db2.gz KVQFCGFEEKFSMJ-RISCZKNCSA-N 0 0 301.346 3.016 10 70 DGIERN COC(=O)[C@@H](N[C@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159545956 432686399 /nfs/dbraw/zinc/68/63/99/432686399.db2.gz NDWNNMSHCKVING-IRXDYDNUSA-N 0 0 314.360 3.102 10 70 DGIERN Cc1cccc(C)c1OCCSC[C@H](C)CS(C)(=O)=O ZINC000159647470 432689738 /nfs/dbraw/zinc/68/97/38/432689738.db2.gz KVOVFZGHLVQCNT-LBPRGKRZSA-N 0 0 316.488 3.096 10 70 DGIERN C[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)C1CCOCC1 ZINC000159619897 432691054 /nfs/dbraw/zinc/69/10/54/432691054.db2.gz ITOYSOBUWBKZGS-IUODEOHRSA-N 0 0 305.443 3.402 10 70 DGIERN Cc1ccc(OCCCC(=O)N(C)C[C@@H]2CCCO2)c(C)c1 ZINC000160875775 432747932 /nfs/dbraw/zinc/74/79/32/432747932.db2.gz NRWJULSUBPYMHT-INIZCTEOSA-N 0 0 305.418 3.100 10 70 DGIERN Cc1noc(Cl)c1CC(=O)N(C)CCc1ccc(F)cc1 ZINC000160967031 432751443 /nfs/dbraw/zinc/75/14/43/432751443.db2.gz ICAQIOKGPXNCFD-UHFFFAOYSA-N 0 0 310.756 3.019 10 70 DGIERN COc1ccccc1N1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC000161134038 432761447 /nfs/dbraw/zinc/76/14/47/432761447.db2.gz DQNLOQXXVLRNGN-OAHLLOKOSA-N 0 0 318.461 3.462 10 70 DGIERN O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc3cc(F)ccc3o1)CC2 ZINC000161137145 432761792 /nfs/dbraw/zinc/76/17/92/432761792.db2.gz HBIIFUOJWMYJAO-SJKOYZFVSA-N 0 0 304.365 3.094 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)[C@H](C)c2cccnc2)n1 ZINC000161190034 432764839 /nfs/dbraw/zinc/76/48/39/432764839.db2.gz QESRSSYQVQKCQV-CQSZACIVSA-N 0 0 306.369 3.318 10 70 DGIERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCC1=CCCC1 ZINC000161194613 432764961 /nfs/dbraw/zinc/76/49/61/432764961.db2.gz BPEKNPKUSHCKHR-HNNXBMFYSA-N 0 0 316.426 3.106 10 70 DGIERN C[C@H](CN1c2ccccc2S[C@@H](C)[C@H]1C)CS(C)(=O)=O ZINC000161201232 432765763 /nfs/dbraw/zinc/76/57/63/432765763.db2.gz QIXCJHZNGWPSLL-UPJWGTAASA-N 0 0 313.488 3.056 10 70 DGIERN Cc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c(Cl)cc1F ZINC000161193429 432765792 /nfs/dbraw/zinc/76/57/92/432765792.db2.gz CQDPBJIVGGUDGI-UHFFFAOYSA-N 0 0 306.724 3.139 10 70 DGIERN O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2cccs2)C1 ZINC000161293149 432772018 /nfs/dbraw/zinc/77/20/18/432772018.db2.gz SUQNZUITUUTWMM-AWEZNQCLSA-N 0 0 305.374 3.030 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2ccncc2Cl)n1 ZINC000161318834 432773485 /nfs/dbraw/zinc/77/34/85/432773485.db2.gz WHAHGQOXFPLCPO-UHFFFAOYSA-N 0 0 312.760 3.481 10 70 DGIERN O=C(c1ccc(F)cc1F)N1CCO[C@@H](c2cccs2)C1 ZINC000161348667 432775089 /nfs/dbraw/zinc/77/50/89/432775089.db2.gz STLVCQRZDPALMW-CYBMUJFWSA-N 0 0 309.337 3.240 10 70 DGIERN CCOC(=O)CC[C@H](C)NC(=O)[C@H](CC)c1ccc(F)cc1 ZINC000161431414 432777509 /nfs/dbraw/zinc/77/75/09/432777509.db2.gz SCRUIDRFUYXUSY-SWLSCSKDSA-N 0 0 309.381 3.167 10 70 DGIERN C[C@H](CSCc1ccccc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000161430801 432778311 /nfs/dbraw/zinc/77/83/11/432778311.db2.gz NUVPWWSGANFNIL-ZBFHGGJFSA-N 0 0 307.459 3.193 10 70 DGIERN C[C@@H](NC(=O)Nc1cccc(-c2ncn(C)n2)c1)C(C)(C)C ZINC000161426767 432778687 /nfs/dbraw/zinc/77/86/87/432778687.db2.gz KFNRBYHFHKJXCH-LLVKDONJSA-N 0 0 301.394 3.038 10 70 DGIERN COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)c2cccnc2)o1 ZINC000161443214 432779450 /nfs/dbraw/zinc/77/94/50/432779450.db2.gz IPRPRPAZXZVVEB-CJNGLKHVSA-N 0 0 314.385 3.288 10 70 DGIERN C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160677620 432736296 /nfs/dbraw/zinc/73/62/96/432736296.db2.gz JDEXQDSKQRTNRM-OLZOCXBDSA-N 0 0 313.405 3.134 10 70 DGIERN CCC[C@](C)(NC(=O)c1[nH]c2ccc(C)cc2c1C)C(=O)OC ZINC000160743322 432739352 /nfs/dbraw/zinc/73/93/52/432739352.db2.gz IGKWCQFEGAEGJD-SFHVURJKSA-N 0 0 316.401 3.246 10 70 DGIERN Cc1noc([C@H]2COCCN2Cc2ccc(C(C)C)cc2)n1 ZINC000160832213 432743488 /nfs/dbraw/zinc/74/34/88/432743488.db2.gz LHPXDZMFQWGAQK-MRXNPFEDSA-N 0 0 301.390 3.075 10 70 DGIERN CC[C@H](C)CN(CC)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160858801 432745877 /nfs/dbraw/zinc/74/58/77/432745877.db2.gz RTWNKTDXSRXTTK-JTQLQIEISA-N 0 0 320.359 3.017 10 70 DGIERN CC(C)c1cccc(S(=O)(=O)N(C)CCc2nccs2)c1 ZINC000159648997 292797464 /nfs/dbraw/zinc/79/74/64/292797464.db2.gz ZQNMSRYXNBDMQG-UHFFFAOYSA-N 0 0 324.471 3.130 10 70 DGIERN CCCCc1nc(CSC[C@@H](C)CS(C)(=O)=O)cs1 ZINC000159745205 292799472 /nfs/dbraw/zinc/79/94/72/292799472.db2.gz DKAUGENMGMNLLR-LLVKDONJSA-N 0 0 321.533 3.400 10 70 DGIERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)O1 ZINC000159872070 292802288 /nfs/dbraw/zinc/80/22/88/292802288.db2.gz VJLPHPHTTFOMOU-ACJLOTCBSA-N 0 0 311.381 3.489 10 70 DGIERN CCC(C)(C)NC(=O)CSCc1ccc(C(=O)OC)s1 ZINC000159900330 292802895 /nfs/dbraw/zinc/80/28/95/292802895.db2.gz OWDIHLDFIPKOOW-UHFFFAOYSA-N 0 0 315.460 3.073 10 70 DGIERN CC[C@@H](NS(=O)(=O)c1cc(C)ccc1F)c1nccs1 ZINC000159951187 292804349 /nfs/dbraw/zinc/80/43/49/292804349.db2.gz HDOYTGWJIQTZMQ-LLVKDONJSA-N 0 0 314.407 3.020 10 70 DGIERN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCCC1=CCCC1 ZINC000160265704 292811506 /nfs/dbraw/zinc/81/15/06/292811506.db2.gz UNQHPNDYMDPKET-AWEZNQCLSA-N 0 0 302.418 3.465 10 70 DGIERN OCCC1(CNc2ncc(Cl)cc2Br)CC1 ZINC000159647152 527532446 /nfs/dbraw/zinc/53/24/46/527532446.db2.gz YRNIVWIHSZLYHA-UHFFFAOYSA-N 0 0 305.603 3.072 10 70 DGIERN CC(C)(C)SCCCC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000159449370 518907425 /nfs/dbraw/zinc/90/74/25/518907425.db2.gz WEABDJUSGLWMJG-HNNXBMFYSA-N 0 0 322.474 3.373 10 70 DGIERN CC(C)CCSCC(=O)N1CCO[C@H](c2cccs2)C1 ZINC000161308480 519677471 /nfs/dbraw/zinc/67/74/71/519677471.db2.gz VHCPWSKRIGAANJ-ZDUSSCGKSA-N 0 0 313.488 3.427 10 70 DGIERN CC(C)CCn1ccc(NC(=O)N[C@@H]2COc3ccccc32)n1 ZINC000161105048 519703439 /nfs/dbraw/zinc/70/34/39/519703439.db2.gz RTNQEPSNBMLBJK-CQSZACIVSA-N 0 0 314.389 3.184 10 70 DGIERN Cc1nc(NC(=O)c2cc(F)c(F)c(F)c2)cc(C2CC2)n1 ZINC000160184535 534481389 /nfs/dbraw/zinc/48/13/89/534481389.db2.gz YBXRGOCMBGPJCK-UHFFFAOYSA-N 0 0 307.275 3.332 10 70 DGIERN Cc1nc(NC(=O)c2ccn(-c3ccccc3)n2)cc(C2CC2)n1 ZINC000160129524 534484317 /nfs/dbraw/zinc/48/43/17/534484317.db2.gz SQICFEHVSDCCED-UHFFFAOYSA-N 0 0 319.368 3.100 10 70 DGIERN CCc1nn(C)cc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159588773 522676204 /nfs/dbraw/zinc/67/62/04/522676204.db2.gz KHLALQJTHKPKNL-UHFFFAOYSA-N 0 0 313.376 3.051 10 70 DGIERN Cn1cnc2cc(C(=O)N3CCC[C@H](C(C)(C)C)CC3)cnc21 ZINC000160533136 534810071 /nfs/dbraw/zinc/81/00/71/534810071.db2.gz MZSIGVRLNINKEE-AWEZNQCLSA-N 0 0 314.433 3.257 10 70 DGIERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3c(c2)ncn3C)o1 ZINC000160598674 525802358 /nfs/dbraw/zinc/80/23/58/525802358.db2.gz FLAZKMVFJOPUEG-HNNXBMFYSA-N 0 0 324.384 3.237 10 70 DGIERN CCCC(O)(CCC)CC(=O)N1CCc2cc(OC)ccc21 ZINC000160992715 528004299 /nfs/dbraw/zinc/00/42/99/528004299.db2.gz BNYNQJDADYNEFV-UHFFFAOYSA-N 0 0 305.418 3.306 10 70 DGIERN COCCOc1ccccc1NC(=O)NCCC1=CCCC1 ZINC000161399111 546067704 /nfs/dbraw/zinc/06/77/04/546067704.db2.gz IPPLQKXVKNODNL-UHFFFAOYSA-N 0 0 304.390 3.334 10 70 DGIERN CCC(CC)n1ncc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1C ZINC000160120101 282302219 /nfs/dbraw/zinc/30/22/19/282302219.db2.gz AWWXBUBVOKRRLP-SJORKVTESA-N 0 0 319.449 3.336 10 70 DGIERN CC(C)C[C@H](C)CC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159631985 186131688 /nfs/dbraw/zinc/13/16/88/186131688.db2.gz DAONRGYVUZAHQC-XHSDSOJGSA-N 0 0 323.433 3.003 10 70 DGIERN COc1ccc(Br)cc1COc1cc(C)n(C)n1 ZINC000159747679 186139455 /nfs/dbraw/zinc/13/94/55/186139455.db2.gz LTXVZWUAMBPAHL-UHFFFAOYSA-N 0 0 311.179 3.079 10 70 DGIERN O=C(Cc1ccccc1F)N1CCO[C@@H](c2cccs2)C1 ZINC000161226760 197475892 /nfs/dbraw/zinc/47/58/92/197475892.db2.gz VEYUWNIFNVCMFC-CQSZACIVSA-N 0 0 305.374 3.030 10 70 DGIERN COc1cccc(Cl)c1CC(=O)NC[C@@]1(C)CCCS1 ZINC000160687767 197432128 /nfs/dbraw/zinc/43/21/28/197432128.db2.gz YACBAPBIPPBAPC-OAHLLOKOSA-N 0 0 313.850 3.293 10 70 DGIERN Cc1cncc(/C=C/C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000160053542 197383077 /nfs/dbraw/zinc/38/30/77/197383077.db2.gz VQOYDUPRUSYPPR-BOTMBNHJSA-N 0 0 324.380 3.052 10 70 DGIERN COc1cccc(CCCN2CCO[C@H](c3nccs3)C2)c1 ZINC000160110708 197386569 /nfs/dbraw/zinc/38/65/69/197386569.db2.gz JKGAQEDOGWCKNE-INIZCTEOSA-N 0 0 318.442 3.158 10 70 DGIERN CSCCC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000160093046 197385755 /nfs/dbraw/zinc/38/57/55/197385755.db2.gz VKWMRYUNJHFNFO-QGZVFWFLSA-N 0 0 300.427 3.349 10 70 DGIERN C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccccc1Br ZINC000159965628 197376662 /nfs/dbraw/zinc/37/66/62/197376662.db2.gz NWNHYLCIBPTPDS-MFKMUULPSA-N 0 0 312.207 3.195 10 70 DGIERN Cc1cccc([C@@H](NC(=O)C[C@H](O)C(C)C)c2ccccn2)c1 ZINC000159896374 197371804 /nfs/dbraw/zinc/37/18/04/197371804.db2.gz BBNKNMWAXOSZAZ-PKOBYXMFSA-N 0 0 312.413 3.003 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)N(C)C)c2)o1 ZINC000159825271 197367276 /nfs/dbraw/zinc/36/72/76/197367276.db2.gz FOLOTDDODYXPQD-LBPRGKRZSA-N 0 0 315.373 3.173 10 70 DGIERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc(Cl)c1F ZINC000159509848 197359397 /nfs/dbraw/zinc/35/93/97/197359397.db2.gz MVUSJHVINCGMED-SECBINFHSA-N 0 0 315.772 3.281 10 70 DGIERN CCOC(=O)CC[C@@H](C)NC(=O)[C@H](c1ccccc1)C1CC1 ZINC000159502842 197359010 /nfs/dbraw/zinc/35/90/10/197359010.db2.gz CGBZZNGXVMEVNX-CXAGYDPISA-N 0 0 303.402 3.028 10 70 DGIERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000160052094 252645536 /nfs/dbraw/zinc/64/55/36/252645536.db2.gz HETFGWFLRJZTLR-LRDDRELGSA-N 0 0 312.413 3.201 10 70 DGIERN C[C@@H](NC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C(C)(C)C ZINC000160308950 400733588 /nfs/dbraw/zinc/73/35/88/400733588.db2.gz UQEMKNKDGXXAPS-IUODEOHRSA-N 0 0 306.406 3.410 10 70 DGIERN BrC1(Br)C[C@H]1OCc1ccccc1 ZINC000217663730 400951095 /nfs/dbraw/zinc/95/10/95/400951095.db2.gz QSPLMTFKIDHBMY-SECBINFHSA-N 0 0 305.997 3.462 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N(CC(F)F)C(C)C ZINC000160775788 164591115 /nfs/dbraw/zinc/59/11/15/164591115.db2.gz DMKNKOCODQWPPI-UHFFFAOYSA-N 0 0 305.752 3.393 10 70 DGIERN C[C@H](CS[C@@H](C)c1cc(F)ccc1F)CS(C)(=O)=O ZINC000159735846 432694349 /nfs/dbraw/zinc/69/43/49/432694349.db2.gz AXWJEFZQBHDMSE-ZJUUUORDSA-N 0 0 308.415 3.440 10 70 DGIERN C[C@@H](SC[C@H](C)CS(C)(=O)=O)c1ccc(F)cc1F ZINC000159742792 432694464 /nfs/dbraw/zinc/69/44/64/432694464.db2.gz DLQGFQRRHYLUCE-VHSXEESVSA-N 0 0 308.415 3.440 10 70 DGIERN CCCCc1nc(CSC[C@H](C)CS(C)(=O)=O)cs1 ZINC000159745333 432696006 /nfs/dbraw/zinc/69/60/06/432696006.db2.gz DKAUGENMGMNLLR-NSHDSACASA-N 0 0 321.533 3.400 10 70 DGIERN CC[C@H](NS(=O)(=O)c1ccc(C)cc1F)c1nccs1 ZINC000159912821 432701121 /nfs/dbraw/zinc/70/11/21/432701121.db2.gz ZMYBLVHQXILGJY-NSHDSACASA-N 0 0 314.407 3.020 10 70 DGIERN O=C(NCC1(C2CC2)CC1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000159958932 432703122 /nfs/dbraw/zinc/70/31/22/432703122.db2.gz XCMLLNSTDQKUJJ-UHFFFAOYSA-N 0 0 315.804 3.446 10 70 DGIERN CCC[C@@H](Nc1ccc(C(F)(F)F)nn1)C(=O)OC(C)(C)C ZINC000159988323 432703437 /nfs/dbraw/zinc/70/34/37/432703437.db2.gz ZHBLCEVNGHXHLH-SECBINFHSA-N 0 0 319.327 3.418 10 70 DGIERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000160219289 432712571 /nfs/dbraw/zinc/71/25/71/432712571.db2.gz QYGOWAKTINWUTH-FZMZJTMJSA-N 0 0 301.390 3.477 10 70 DGIERN CCN(CCCNC(=O)[C@H](C)C1CCOCC1)c1ccccc1 ZINC000160406563 432718563 /nfs/dbraw/zinc/71/85/63/432718563.db2.gz YENQJLKAKDELNW-MRXNPFEDSA-N 0 0 318.461 3.082 10 70 DGIERN O=C(NCCc1ccsc1)N1CCO[C@H](c2ccsc2)C1 ZINC000160409517 432719934 /nfs/dbraw/zinc/71/99/34/432719934.db2.gz RKYUREYQYOFHCW-AWEZNQCLSA-N 0 0 322.455 3.135 10 70 DGIERN C[NH+](C)[C@H]1CCN(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000160514376 432725213 /nfs/dbraw/zinc/72/52/13/432725213.db2.gz UOMFLSRDZBYWHN-HNNXBMFYSA-N 0 0 322.408 3.291 10 70 DGIERN C[C@H]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)c2ccccc21 ZINC000159484083 432685468 /nfs/dbraw/zinc/68/54/68/432685468.db2.gz DLKBXNWKFDAYIQ-YVEFUNNKSA-N 0 0 308.381 3.154 10 70 DGIERN COC(=O)[C@@H](N[C@@H]1CCCc2cc(F)ccc21)c1cccnc1 ZINC000159545666 432686925 /nfs/dbraw/zinc/68/69/25/432686925.db2.gz NDWNNMSHCKVING-SJORKVTESA-N 0 0 314.360 3.102 10 70 DGIERN Cc1cccc(C)c1OCCSC[C@@H](C)CS(C)(=O)=O ZINC000159647338 432690327 /nfs/dbraw/zinc/69/03/27/432690327.db2.gz KVOVFZGHLVQCNT-GFCCVEGCSA-N 0 0 316.488 3.096 10 70 DGIERN CCN(CCc1nccs1)C(=O)N[C@@H](C)c1ccccc1 ZINC000161099472 432759998 /nfs/dbraw/zinc/75/99/98/432759998.db2.gz MSPMVWHYOAQGAY-ZDUSSCGKSA-N 0 0 303.431 3.478 10 70 DGIERN CC(C)NC(=O)Nc1ccc(C(=O)NCCC2=CCCC2)cc1 ZINC000161134851 432760836 /nfs/dbraw/zinc/76/08/36/432760836.db2.gz QOMPVAOUMUZODT-UHFFFAOYSA-N 0 0 315.417 3.447 10 70 DGIERN CCCC[C@@H](NC(=O)c1c(C)noc1CC)C(=O)OC(C)(C)C ZINC000161230619 432767940 /nfs/dbraw/zinc/76/79/40/432767940.db2.gz TVKXNXVFYXOMMF-GFCCVEGCSA-N 0 0 324.421 3.176 10 70 DGIERN CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(CO)c1 ZINC000161260176 432770488 /nfs/dbraw/zinc/77/04/88/432770488.db2.gz TYKYHRRQRYIQQP-GFCCVEGCSA-N 0 0 317.410 3.307 10 70 DGIERN CCOc1ccccc1CN1CCO[C@H](c2nccs2)C1 ZINC000161437506 432779376 /nfs/dbraw/zinc/77/93/76/432779376.db2.gz RFYDIZQATXMUSI-HNNXBMFYSA-N 0 0 304.415 3.115 10 70 DGIERN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1)[NH+](C)C ZINC000161453569 432780332 /nfs/dbraw/zinc/78/03/32/432780332.db2.gz JUWMGRSHBNCZRR-FZMZJTMJSA-N 0 0 314.376 3.196 10 70 DGIERN CCn1c(C)cc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1C ZINC000161481416 432781202 /nfs/dbraw/zinc/78/12/02/432781202.db2.gz RLUVBPABRAGVND-OAHLLOKOSA-N 0 0 318.442 3.400 10 70 DGIERN CCCn1nccc1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000160790412 432742120 /nfs/dbraw/zinc/74/21/20/432742120.db2.gz BOBUSAXOIUMPLI-UHFFFAOYSA-N 0 0 313.401 3.189 10 70 DGIERN COC(=O)c1csc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000160805495 432742220 /nfs/dbraw/zinc/74/22/20/432742220.db2.gz IICHZPFMOWMJAH-NSHDSACASA-N 0 0 320.370 3.497 10 70 DGIERN CC(C)c1nccc(N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000160823641 432744669 /nfs/dbraw/zinc/74/46/69/432744669.db2.gz SOICIWBHBKGXCO-LBPRGKRZSA-N 0 0 317.824 3.339 10 70 DGIERN COc1ccc(Cl)cc1CSC[C@@H](C)CS(C)(=O)=O ZINC000159669603 292798276 /nfs/dbraw/zinc/79/82/76/292798276.db2.gz SXRSBFHVCFAJDW-SNVBAGLBSA-N 0 0 322.879 3.263 10 70 DGIERN Cc1ccccc1OCCCSC[C@H](C)CS(C)(=O)=O ZINC000159756750 292799317 /nfs/dbraw/zinc/79/93/17/292799317.db2.gz UBOOKYRVFNCKAZ-ZDUSSCGKSA-N 0 0 316.488 3.178 10 70 DGIERN C[C@@H](CS[C@@H](C)c1cc(F)ccc1F)CS(C)(=O)=O ZINC000159735717 292799623 /nfs/dbraw/zinc/79/96/23/292799623.db2.gz AXWJEFZQBHDMSE-UWVGGRQHSA-N 0 0 308.415 3.440 10 70 DGIERN CC1(NC(=O)NCc2cc(F)cc(Br)c2)CCC1 ZINC000159852428 292801686 /nfs/dbraw/zinc/80/16/86/292801686.db2.gz BEOMDQJXNVKKIP-UHFFFAOYSA-N 0 0 315.186 3.330 10 70 DGIERN Cc1nc(NC(=O)Cn2ccc3ccccc32)cc(C2CC2)n1 ZINC000160158198 292808980 /nfs/dbraw/zinc/80/89/80/292808980.db2.gz RMVNCBXMACQXSW-UHFFFAOYSA-N 0 0 306.369 3.256 10 70 DGIERN CC[C@@H](NC(=O)c1ncccc1OC(C)C)c1c(C)noc1C ZINC000160210120 292810203 /nfs/dbraw/zinc/81/02/03/292810203.db2.gz XGDVISJYAGQYTH-CYBMUJFWSA-N 0 0 317.389 3.355 10 70 DGIERN CC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179639 292830178 /nfs/dbraw/zinc/83/01/78/292830178.db2.gz YYEVOAMXKKXHTF-HUUCEWRRSA-N 0 0 315.442 3.204 10 70 DGIERN Cc1cc(C(=O)N2CC(=O)Nc3ccccc32)c(Cl)cc1F ZINC000161318843 292833402 /nfs/dbraw/zinc/83/34/02/292833402.db2.gz MOASHMLBHCYOLF-UHFFFAOYSA-N 0 0 318.735 3.386 10 70 DGIERN Cc1cnn(Cc2cc(-c3nc(-c4ccsc4)no3)no2)c1 ZINC000161373196 292834432 /nfs/dbraw/zinc/83/44/32/292834432.db2.gz KSGCKECCCJZUHH-UHFFFAOYSA-N 0 0 313.342 3.006 10 70 DGIERN Fc1ccccc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160603407 303136817 /nfs/dbraw/zinc/13/68/17/303136817.db2.gz BGRSNNBXIQJAFG-MRXNPFEDSA-N 0 0 314.408 3.481 10 70 DGIERN COc1ccccc1CCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159917391 534027691 /nfs/dbraw/zinc/02/76/91/534027691.db2.gz NNRPIEPHIHJQEB-UHFFFAOYSA-N 0 0 311.385 3.242 10 70 DGIERN Cc1nc(NC(=O)CCO[C@@H](C)CC(C)C)cc(C2CC2)n1 ZINC000159952660 534461774 /nfs/dbraw/zinc/46/17/74/534461774.db2.gz ZGDKRJYHBIJSHO-LBPRGKRZSA-N 0 0 305.422 3.442 10 70 DGIERN CCCCO[C@@H](C)C(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000161360836 520822609 /nfs/dbraw/zinc/82/26/09/520822609.db2.gz WDPOCUDFXZRWHG-AWEZNQCLSA-N 0 0 301.390 3.324 10 70 DGIERN COc1cccc(Cl)c1CC(=O)N1CCS[C@@H](C)[C@H]1C ZINC000160030377 526092413 /nfs/dbraw/zinc/09/24/13/526092413.db2.gz XAIWYWTWWAOUCY-MNOVXSKESA-N 0 0 313.850 3.244 10 70 DGIERN Cc1noc([C@H]2COCCN2Cc2ccc3ccccc3c2)n1 ZINC000160830839 526672754 /nfs/dbraw/zinc/67/27/54/526672754.db2.gz CEULPXUDRPVDJD-QGZVFWFLSA-N 0 0 309.369 3.105 10 70 DGIERN CC(C)COc1ccc(C(C)(C)NC(=O)C[C@H](O)C(C)C)cc1 ZINC000159380080 528146207 /nfs/dbraw/zinc/14/62/07/528146207.db2.gz SHMNKCQQNYIVTR-KRWDZBQOSA-N 0 0 321.461 3.480 10 70 DGIERN CCC(=O)Nc1cccc(C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000160119268 528444078 /nfs/dbraw/zinc/44/40/78/528444078.db2.gz POLNQRPSSKOTKZ-UHFFFAOYSA-N 0 0 324.384 3.263 10 70 DGIERN CCCCc1noc(CN(CCc2nccs2)C(C)C)n1 ZINC000159894831 529054992 /nfs/dbraw/zinc/05/49/92/529054992.db2.gz AXZROSUIKPYTIV-UHFFFAOYSA-N 0 0 308.451 3.322 10 70 DGIERN CC(C)CCN(C)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159426365 546053242 /nfs/dbraw/zinc/05/32/42/546053242.db2.gz QCJFANWVRUGTRW-ZDUSSCGKSA-N 0 0 324.856 3.001 10 70 DGIERN CC(C)CCN(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159573098 546054728 /nfs/dbraw/zinc/05/47/28/546054728.db2.gz PVINUTVZLOSDEI-SNVBAGLBSA-N 0 0 317.355 3.038 10 70 DGIERN CCCc1cc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)[nH]n1 ZINC000159679485 546055305 /nfs/dbraw/zinc/05/53/05/546055305.db2.gz RJHQUBRGYTYMLQ-CYBMUJFWSA-N 0 0 323.400 3.039 10 70 DGIERN CCNC(=O)CCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159594929 186129383 /nfs/dbraw/zinc/12/93/83/186129383.db2.gz URAKEBCERZMGSR-XJKSGUPXSA-N 0 0 302.418 3.048 10 70 DGIERN CC1=C(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CCCO1 ZINC000159683596 186135396 /nfs/dbraw/zinc/13/53/96/186135396.db2.gz APSCDPNFTLIXPB-CQSZACIVSA-N 0 0 313.319 3.361 10 70 DGIERN O=C(c1cc(Cl)ccn1)N1CCO[C@@H](c2cccs2)C1 ZINC000161506711 197500159 /nfs/dbraw/zinc/50/01/59/197500159.db2.gz PZXCYJIQMGFFOH-GFCCVEGCSA-N 0 0 308.790 3.010 10 70 DGIERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@](C)(O)c1cccs1 ZINC000160833515 197442494 /nfs/dbraw/zinc/44/24/94/197442494.db2.gz OVHQSBWNTMGDQK-SUMWQHHRSA-N 0 0 318.442 3.324 10 70 DGIERN Cn1cnc(-c2ccc(NC(=O)NCCC3=CCCC3)cc2)n1 ZINC000160565141 197422946 /nfs/dbraw/zinc/42/29/46/197422946.db2.gz AQIMNFMOJQUCTO-UHFFFAOYSA-N 0 0 311.389 3.104 10 70 DGIERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000160052228 197382456 /nfs/dbraw/zinc/38/24/56/197382456.db2.gz HETFGWFLRJZTLR-MLGOLLRUSA-N 0 0 312.413 3.201 10 70 DGIERN C[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc2ccccc2c1 ZINC000159846024 197368295 /nfs/dbraw/zinc/36/82/95/197368295.db2.gz VCPNSMXZPKCVNH-IFXJQAMLSA-N 0 0 312.413 3.457 10 70 DGIERN CCOC(=O)CC[C@H](C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000159502702 197358775 /nfs/dbraw/zinc/35/87/75/197358775.db2.gz CGBZZNGXVMEVNX-GUYCJALGSA-N 0 0 303.402 3.028 10 70 DGIERN NC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000159504001 197358795 /nfs/dbraw/zinc/35/87/95/197358795.db2.gz UGXUWRBQLQQFFF-CABCVRRESA-N 0 0 301.390 3.332 10 70 DGIERN CCN(CCc1nccs1)CC(=O)Nc1cccc(C)c1C ZINC000159432667 197352993 /nfs/dbraw/zinc/35/29/93/197352993.db2.gz HCWFNWJRTKLBKW-UHFFFAOYSA-N 0 0 317.458 3.263 10 70 DGIERN CCN(CCc1nccs1)Cc1csc([C@@H](C)OC)n1 ZINC000159419509 197352345 /nfs/dbraw/zinc/35/23/45/197352345.db2.gz OCXMYEJPXVJMRQ-LLVKDONJSA-N 0 0 311.476 3.372 10 70 DGIERN O=C(Cl)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1 ZINC000159134219 400728755 /nfs/dbraw/zinc/72/87/55/400728755.db2.gz MTLJYCHUDXIYAW-UHFFFAOYSA-N 0 0 307.969 3.300 10 70 DGIERN COC(=O)[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)s1 ZINC000160931163 400737348 /nfs/dbraw/zinc/73/73/48/400737348.db2.gz DFQNLVHMLQZSDJ-AWEZNQCLSA-N 0 0 316.426 3.338 10 70 DGIERN O=S(=O)(Cl)c1cccc(Br)c1C(F)(F)F ZINC000165774753 400752621 /nfs/dbraw/zinc/75/26/21/400752621.db2.gz XRGLKCBNXCZZNO-UHFFFAOYSA-N 0 0 323.517 3.395 10 70 DGIERN COc1ccc(N(C)C(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1F ZINC000159444139 286323293 /nfs/dbraw/zinc/32/32/93/286323293.db2.gz IJEDEGJUKUEQIV-DIFFPNOSSA-N 0 0 315.344 3.362 10 70 DGIERN CC1(C)CCC(C(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000160226871 278193645 /nfs/dbraw/zinc/19/36/45/278193645.db2.gz YUJAMXMUCXVIFL-ZDUSSCGKSA-N 0 0 308.447 3.259 10 70 DGIERN C[C@H]1CC[C@H](NC(=O)c2ccc(C(N)=O)cc2)c2ccccc21 ZINC000159483859 278383658 /nfs/dbraw/zinc/38/36/58/278383658.db2.gz DLKBXNWKFDAYIQ-SJCJKPOMSA-N 0 0 308.381 3.154 10 70 DGIERN CC(C)N(C(=O)Cc1ccc(F)cc1Cl)C1CCOCC1 ZINC000160592306 279291249 /nfs/dbraw/zinc/29/12/49/279291249.db2.gz PWXHBWDBVBQTHT-UHFFFAOYSA-N 0 0 313.800 3.438 10 70 DGIERN CC(C)Oc1cccnc1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000159654787 432692567 /nfs/dbraw/zinc/69/25/67/432692567.db2.gz DFJGFHGTLSKEHZ-AWEZNQCLSA-N 0 0 318.417 3.090 10 70 DGIERN CC[C@H]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159721593 432693995 /nfs/dbraw/zinc/69/39/95/432693995.db2.gz VGHHTCHMPXBOCY-NSHDSACASA-N 0 0 316.323 3.285 10 70 DGIERN COCCOC[C@H]1CCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159740708 432694365 /nfs/dbraw/zinc/69/43/65/432694365.db2.gz SQXIOYVEKREERD-LBPRGKRZSA-N 0 0 322.355 3.002 10 70 DGIERN CC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1nccs1 ZINC000159945504 432701047 /nfs/dbraw/zinc/70/10/47/432701047.db2.gz PXOAQWYUEMYHIU-ZDUSSCGKSA-N 0 0 324.471 3.498 10 70 DGIERN COCc1ccc(C(=O)Nc2ccc(Br)cc2)o1 ZINC000160036300 432704595 /nfs/dbraw/zinc/70/45/95/432704595.db2.gz LOGTUEGHCDSTTF-UHFFFAOYSA-N 0 0 310.147 3.441 10 70 DGIERN CC(C)(CNC(=O)[C@H]1CCCN1c1nccs1)C1CCCC1 ZINC000160053445 432705050 /nfs/dbraw/zinc/70/50/50/432705050.db2.gz GUYMKLDAJMLFKS-CQSZACIVSA-N 0 0 321.490 3.445 10 70 DGIERN CCN(CCCNC(=O)[C@@H](C)C1CCOCC1)c1ccccc1 ZINC000160406425 432719543 /nfs/dbraw/zinc/71/95/43/432719543.db2.gz YENQJLKAKDELNW-INIZCTEOSA-N 0 0 318.461 3.082 10 70 DGIERN CCC(CC)CN(CC)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000160436470 432721223 /nfs/dbraw/zinc/72/12/23/432721223.db2.gz ZWHKZDRLYDECTG-UHFFFAOYSA-N 0 0 317.476 3.050 10 70 DGIERN Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(-c2cccnc2)n1 ZINC000160463897 432722407 /nfs/dbraw/zinc/72/24/07/432722407.db2.gz DUQANFYVBYYVLO-HZPDHXFCSA-N 0 0 310.401 3.217 10 70 DGIERN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cnc2c(c1)ncn2C ZINC000160884497 432748246 /nfs/dbraw/zinc/74/82/46/432748246.db2.gz XYWVPBKLLZBXPA-IUODEOHRSA-N 0 0 300.406 3.009 10 70 DGIERN O=C(c1cc(F)cc2cccnc21)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000160924147 432748774 /nfs/dbraw/zinc/74/87/74/432748774.db2.gz MBJOMUMEGRBNFJ-JKSUJKDBSA-N 0 0 314.360 3.158 10 70 DGIERN O=C(c1cc(F)cc2cccnc21)N1CCO[C@H]2CCCC[C@H]21 ZINC000160924248 432748925 /nfs/dbraw/zinc/74/89/25/432748925.db2.gz MBJOMUMEGRBNFJ-CVEARBPZSA-N 0 0 314.360 3.158 10 70 DGIERN CCCc1ncc(C(=O)N2CCO[C@@H](c3cccs3)C2)s1 ZINC000161470909 432782128 /nfs/dbraw/zinc/78/21/28/432782128.db2.gz YONGDVGBFSDYAF-LLVKDONJSA-N 0 0 322.455 3.371 10 70 DGIERN C[C@H](C(=O)N1CC=C(c2ccc(O)cc2)CC1)C1CCOCC1 ZINC000160980789 432753209 /nfs/dbraw/zinc/75/32/09/432753209.db2.gz IQJZCRSVFKLJFP-AWEZNQCLSA-N 0 0 315.413 3.071 10 70 DGIERN CSCCCNC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161045925 432756003 /nfs/dbraw/zinc/75/60/03/432756003.db2.gz OUQCWFGCRSNAGM-CYBMUJFWSA-N 0 0 308.447 3.341 10 70 DGIERN CCCC[C@@H](NC(=O)C[C@@H](C)SC)C(=O)OC(C)(C)C ZINC000161087508 432758352 /nfs/dbraw/zinc/75/83/52/432758352.db2.gz CMGDVPGOFVUAOU-VXGBXAGGSA-N 0 0 303.468 3.145 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)NCc1ccccc1F)c1nccs1 ZINC000161110227 432759307 /nfs/dbraw/zinc/75/93/07/432759307.db2.gz RUQLDQFFFYPCBZ-SMDDNHRTSA-N 0 0 321.421 3.028 10 70 DGIERN O=C(NCc1ccco1)N1CC=C(c2ccccc2F)CC1 ZINC000161147216 432764105 /nfs/dbraw/zinc/76/41/05/432764105.db2.gz KEJLXIKBDHZKMP-UHFFFAOYSA-N 0 0 300.333 3.418 10 70 DGIERN Cc1cnc(CCN(C)C(=O)N[C@@H](C)c2cccc(O)c2)s1 ZINC000161196657 432765760 /nfs/dbraw/zinc/76/57/60/432765760.db2.gz FDRQIIYQWDIEQC-LBPRGKRZSA-N 0 0 319.430 3.102 10 70 DGIERN CCC[C@@H](NC(=O)/C=C/c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000161504316 432782656 /nfs/dbraw/zinc/78/26/56/432782656.db2.gz LHWRMDWSHYDLTG-XVJNWHFHSA-N 0 0 318.417 3.030 10 70 DGIERN CCN(CCc1nccs1)C(=O)NCCc1cccc(F)c1 ZINC000161273359 432770237 /nfs/dbraw/zinc/77/02/37/432770237.db2.gz IIRYYNXBHHQGHT-UHFFFAOYSA-N 0 0 321.421 3.099 10 70 DGIERN CSCCCC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000161298129 432772234 /nfs/dbraw/zinc/77/22/34/432772234.db2.gz HFOJKWGYKMYYFJ-GFCCVEGCSA-N 0 0 313.850 3.463 10 70 DGIERN Cc1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)c(Cl)cc1F ZINC000161375314 432776919 /nfs/dbraw/zinc/77/69/19/432776919.db2.gz UCFXATTWUMBQPR-AWEZNQCLSA-N 0 0 324.783 3.413 10 70 DGIERN CS[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161414764 432777822 /nfs/dbraw/zinc/77/78/22/432777822.db2.gz VSSWEFIAGUAUMH-WBVHZDCISA-N 0 0 320.502 3.299 10 70 DGIERN Cc1ccccc1-c1nc(Cn2nc(C3CC3)nc2C2CC2)no1 ZINC000161435089 432779750 /nfs/dbraw/zinc/77/97/50/432779750.db2.gz DBSUHPNTVFBPJY-UHFFFAOYSA-N 0 0 321.384 3.440 10 70 DGIERN Cc1cc(C[C@H](C)NC(=O)CCc2c[nH]c3ccc(C)cc23)[nH]n1 ZINC000161446940 432779968 /nfs/dbraw/zinc/77/99/68/432779968.db2.gz MKSLCOYFMWUMTO-ZDUSSCGKSA-N 0 0 324.428 3.188 10 70 DGIERN CCCNC(=O)c1cccc(NC(=O)NCCC2=CCCC2)c1 ZINC000160706743 432737145 /nfs/dbraw/zinc/73/71/45/432737145.db2.gz UDCWCFXELQEEDP-UHFFFAOYSA-N 0 0 315.417 3.448 10 70 DGIERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCCC1=CCCC1 ZINC000160822449 432744589 /nfs/dbraw/zinc/74/45/89/432744589.db2.gz PAAWYHIHDKAYFJ-UHFFFAOYSA-N 0 0 315.417 3.319 10 70 DGIERN Cc1noc([C@H]2COCCN2Cc2ccc(CC(C)C)cc2)n1 ZINC000160853520 432746333 /nfs/dbraw/zinc/74/63/33/432746333.db2.gz GZCIIZSKHYJNPG-QGZVFWFLSA-N 0 0 315.417 3.150 10 70 DGIERN CCN(C(=O)NCc1cn(C)nc1C(F)(F)F)[C@H](C)C(C)C ZINC000160863212 432746527 /nfs/dbraw/zinc/74/65/27/432746527.db2.gz DPMSPDSAJOPDQF-SNVBAGLBSA-N 0 0 320.359 3.015 10 70 DGIERN CCc1cccc(OCCSC[C@H](C)CS(C)(=O)=O)c1 ZINC000159647214 292797566 /nfs/dbraw/zinc/79/75/66/292797566.db2.gz VSLOSWWKHAVOGY-ZDUSSCGKSA-N 0 0 316.488 3.042 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)N(C)CC2CCOCC2)cc1F ZINC000159900855 292803010 /nfs/dbraw/zinc/80/30/10/292803010.db2.gz MEEKQFAZMNXHHM-ZDUSSCGKSA-N 0 0 308.397 3.263 10 70 DGIERN CCc1oc(C(=O)N(C)CCOc2ccccc2F)cc1C ZINC000160078550 292807035 /nfs/dbraw/zinc/80/70/35/292807035.db2.gz ZWJHXJZQQAXEQO-UHFFFAOYSA-N 0 0 305.349 3.441 10 70 DGIERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000160125217 292808164 /nfs/dbraw/zinc/80/81/64/292808164.db2.gz QAXSLEYVNORBDZ-LRDDRELGSA-N 0 0 312.413 3.201 10 70 DGIERN O=C(CSc1cccc2cccc(Cl)c21)NC1(CO)CC1 ZINC000160340414 292812951 /nfs/dbraw/zinc/81/29/51/292812951.db2.gz RUYHHCPCFYLYEE-UHFFFAOYSA-N 0 0 321.829 3.226 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc(F)c1)c1nccs1 ZINC000161057988 292827461 /nfs/dbraw/zinc/82/74/61/292827461.db2.gz FNULMAJSRHJWTI-GXFFZTMASA-N 0 0 307.394 3.350 10 70 DGIERN C[C@H](c1ccccc1)N(C)C(=O)[C@H](C)Oc1cccc(CO)c1 ZINC000161142559 292829599 /nfs/dbraw/zinc/82/95/99/292829599.db2.gz BOJYNUQOYJPQRD-CABCVRRESA-N 0 0 313.397 3.166 10 70 DGIERN CC(C)n1nnnc1CN1c2ccccc2S[C@H](C)[C@H]1C ZINC000161176314 292830463 /nfs/dbraw/zinc/83/04/63/292830463.db2.gz ITVXQMLYFWKUBM-VXGBXAGGSA-N 0 0 303.435 3.143 10 70 DGIERN Cc1cc(C)n(CCCNC(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000161350525 292833996 /nfs/dbraw/zinc/83/39/96/292833996.db2.gz NJZCECHILOBMHS-UHFFFAOYSA-N 0 0 323.799 3.421 10 70 DGIERN C[C@@H]1CCN(C(=O)c2cc(NC(=O)N(C)C)ccc2Cl)[C@H]1C ZINC000160710882 534001219 /nfs/dbraw/zinc/00/12/19/534001219.db2.gz NSHQFWQSCMBZPX-MNOVXSKESA-N 0 0 323.824 3.304 10 70 DGIERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159703345 534113916 /nfs/dbraw/zinc/11/39/16/534113916.db2.gz NFJGRDRWDHKISH-SCLBCKFNSA-N 0 0 324.428 3.232 10 70 DGIERN CC(C)C[C@H](C)NC(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000160450411 519315985 /nfs/dbraw/zinc/31/59/85/519315985.db2.gz FEBFPRKSSNZAOT-UONOGXRCSA-N 0 0 315.421 3.062 10 70 DGIERN Cc1nc(NC(=O)C2(c3cccc(F)c3)CC2)cc(C2CC2)n1 ZINC000160140547 534458938 /nfs/dbraw/zinc/45/89/38/534458938.db2.gz CMSKFQIZQISCIN-UHFFFAOYSA-N 0 0 311.360 3.472 10 70 DGIERN Cc1nc(NC(=O)Cc2ccc(F)c(F)c2)cc(C2CC2)n1 ZINC000160146384 534465014 /nfs/dbraw/zinc/46/50/14/534465014.db2.gz KSKSGLLFIMNCSF-UHFFFAOYSA-N 0 0 303.312 3.122 10 70 DGIERN CCCCN(C)C(=O)CSc1ncnc2c(C)cccc12 ZINC000160691589 520378757 /nfs/dbraw/zinc/37/87/57/520378757.db2.gz YCDULLDMFIROLF-UHFFFAOYSA-N 0 0 303.431 3.289 10 70 DGIERN CCc1nc(-c2ccccc2NC(=O)CCCSC)n[nH]1 ZINC000161154813 522120342 /nfs/dbraw/zinc/12/03/42/522120342.db2.gz FFQRSQCJGZDTHG-UHFFFAOYSA-N 0 0 304.419 3.116 10 70 DGIERN O=C(c1ccnc(Cl)c1)N1CCO[C@@H](c2cccs2)C1 ZINC000161415296 526843919 /nfs/dbraw/zinc/84/39/19/526843919.db2.gz RWMXILZTLCPYPV-LLVKDONJSA-N 0 0 308.790 3.010 10 70 DGIERN Cc1nc(NC(=O)COc2ccc(Cl)cc2)cc(C2CC2)n1 ZINC000160157050 546057970 /nfs/dbraw/zinc/05/79/70/546057970.db2.gz YPPYSTIXDIEAFL-UHFFFAOYSA-N 0 0 317.776 3.333 10 70 DGIERN O=C(c1cc2ccc(F)cc2s1)N1CCC[C@@H]1CCCO ZINC000161192276 546066218 /nfs/dbraw/zinc/06/62/18/546066218.db2.gz YDQKYUBWLOMWCN-CYBMUJFWSA-N 0 0 307.390 3.418 10 70 DGIERN CCCC[C@@H](NC(=O)[C@H](CC)SC)C(=O)OC(C)(C)C ZINC000161166964 292830231 /nfs/dbraw/zinc/83/02/31/292830231.db2.gz WKZYVRCACHHUEY-NEPJUHHUSA-N 0 0 303.468 3.145 10 70 DGIERN CC[C@H](C(=O)N[C@@H]1CC[C@H](C)c2ccccc21)N1CCCC1=O ZINC000159606741 186130155 /nfs/dbraw/zinc/13/01/55/186130155.db2.gz PCKGLZDRJIGGQY-IAOVAPTHSA-N 0 0 314.429 3.142 10 70 DGIERN CC(C)COc1ccc([C@H](C)NC(=O)CCn2cccn2)cc1 ZINC000159745256 186139228 /nfs/dbraw/zinc/13/92/28/186139228.db2.gz QPCUCMRZCLSFKC-HNNXBMFYSA-N 0 0 315.417 3.185 10 70 DGIERN Cc1cc(CN(C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743253 186139381 /nfs/dbraw/zinc/13/93/81/186139381.db2.gz LYYDARZHEUDAAV-OAHLLOKOSA-N 0 0 319.792 3.261 10 70 DGIERN Cn1cnc(-c2cccc(NC(=O)NCCC3=CCCC3)c2)n1 ZINC000161460079 197496866 /nfs/dbraw/zinc/49/68/66/197496866.db2.gz NXIMDPQXKIXINV-UHFFFAOYSA-N 0 0 311.389 3.104 10 70 DGIERN C[C@@H]1C[C@H]1NC(=O)CSc1cccc(Br)c1 ZINC000161282499 197480712 /nfs/dbraw/zinc/48/07/12/197480712.db2.gz QKWYVYOIUJIVQU-LDYMZIIASA-N 0 0 300.221 3.066 10 70 DGIERN O=C(NCCC1=CCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000160345246 197402159 /nfs/dbraw/zinc/40/21/59/197402159.db2.gz CJKUEZNCPVTLFV-UHFFFAOYSA-N 0 0 308.381 3.476 10 70 DGIERN CC(C)(C)c1cn2nc(N[C@H]3CCO[C@@H](C4CC4)C3)sc2n1 ZINC000160449842 197410831 /nfs/dbraw/zinc/41/08/31/197410831.db2.gz IDYLJEGKMDHMDS-NWDGAFQWSA-N 0 0 320.462 3.458 10 70 DGIERN CCNC(=O)C(C)(C)CNc1ccnc2c(F)cc(F)cc12 ZINC000160041121 197381631 /nfs/dbraw/zinc/38/16/31/197381631.db2.gz MEULNFCRVSVFMV-UHFFFAOYSA-N 0 0 307.344 3.087 10 70 DGIERN COC[C@@H](NC(=O)Nc1cc(F)ccc1OC(C)C)C1CC1 ZINC000159921020 197374191 /nfs/dbraw/zinc/37/41/91/197374191.db2.gz DIYYBTBXAHNRGC-CQSZACIVSA-N 0 0 310.369 3.159 10 70 DGIERN CC1(C)C[C@@H](NC(=O)CCc2ccncc2)c2ccccc2O1 ZINC000159884453 197370515 /nfs/dbraw/zinc/37/05/15/197370515.db2.gz WRNICVIVTYLGQX-MRXNPFEDSA-N 0 0 310.397 3.433 10 70 DGIERN Cc1ccc([C@H]2CCCCCN2C(=O)NCC2(C)COC2)o1 ZINC000159852086 197368832 /nfs/dbraw/zinc/36/88/32/197368832.db2.gz HEGYFUWCSBADKD-CQSZACIVSA-N 0 0 306.406 3.251 10 70 DGIERN C[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1ccc2ccccc2c1 ZINC000159846141 197368598 /nfs/dbraw/zinc/36/85/98/197368598.db2.gz VCPNSMXZPKCVNH-AUUYWEPGSA-N 0 0 312.413 3.457 10 70 DGIERN O=C(Oc1ccc(F)cc1Br)[C@H]1CCCCO1 ZINC000159761053 197362995 /nfs/dbraw/zinc/36/29/95/197362995.db2.gz HRAUKRLMACZLMW-LLVKDONJSA-N 0 0 303.127 3.063 10 70 DGIERN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000159502580 197358948 /nfs/dbraw/zinc/35/89/48/197358948.db2.gz CGBZZNGXVMEVNX-DYVFJYSZSA-N 0 0 303.402 3.028 10 70 DGIERN Cc1c(CCC(=O)N[C@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000159410608 197351314 /nfs/dbraw/zinc/35/13/14/197351314.db2.gz RWHONINIUOIWRJ-INIZCTEOSA-N 0 0 317.820 3.118 10 70 DGIERN CCNC(=O)c1ccc(NC(=O)NCCC2=CCCC2)cc1 ZINC000160946224 252645493 /nfs/dbraw/zinc/64/54/93/252645493.db2.gz NOGDKSPCVHWUMJ-UHFFFAOYSA-N 0 0 301.390 3.058 10 70 DGIERN Cc1nc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc(C2CC2)n1 ZINC000159871285 400731202 /nfs/dbraw/zinc/73/12/02/400731202.db2.gz GZPSYCMAXIIHMY-JTQLQIEISA-N 0 0 315.348 3.208 10 70 DGIERN Cc1nc(NC(=O)[C@@H](C)Oc2cccc(F)c2)cc(C2CC2)n1 ZINC000159871149 400731477 /nfs/dbraw/zinc/73/14/77/400731477.db2.gz GZPSYCMAXIIHMY-SNVBAGLBSA-N 0 0 315.348 3.208 10 70 DGIERN O=C(NC1(CO)CC1)c1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000160551269 400734977 /nfs/dbraw/zinc/73/49/77/400734977.db2.gz VDTIHAUXBGHYJP-UHFFFAOYSA-N 0 0 316.788 3.020 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(C)CCCO2)c2ccccc21 ZINC000160063207 228244643 /nfs/dbraw/zinc/24/46/43/228244643.db2.gz CEXNWRDFRGODIW-QBIMZIAESA-N 0 0 302.418 3.493 10 70 DGIERN Cc1ccn(-c2ccccc2NC(=O)c2cccc(Cl)n2)n1 ZINC000161407448 281426219 /nfs/dbraw/zinc/42/62/19/281426219.db2.gz ZIJSODZMKBFWJA-UHFFFAOYSA-N 0 0 312.760 3.481 10 70 DGIERN CC(C)Oc1cccnc1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159654630 432692799 /nfs/dbraw/zinc/69/27/99/432692799.db2.gz DFJGFHGTLSKEHZ-CQSZACIVSA-N 0 0 318.417 3.090 10 70 DGIERN Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159783230 432694886 /nfs/dbraw/zinc/69/48/86/432694886.db2.gz CTHKUGTVCFZCDG-FRFSOERESA-N 0 0 312.413 3.472 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)[C@H](C)C1 ZINC000159861030 432699357 /nfs/dbraw/zinc/69/93/57/432699357.db2.gz AZAAPKTVCHZIGV-UMVBOHGHSA-N 0 0 304.438 3.123 10 70 DGIERN Cc1nc(NC(=O)C2(c3ccc(F)cc3)CC2)cc(C2CC2)n1 ZINC000159874193 432700108 /nfs/dbraw/zinc/70/01/08/432700108.db2.gz LXASYYIUHUFVFJ-UHFFFAOYSA-N 0 0 311.360 3.472 10 70 DGIERN Cc1nc(C[C@@H]2CCCN(C(=O)C3CCC(C)(C)CC3)C2)no1 ZINC000159986242 432703410 /nfs/dbraw/zinc/70/34/10/432703410.db2.gz FWBLGYNYEFEDNF-AWEZNQCLSA-N 0 0 319.449 3.376 10 70 DGIERN CC(C)c1nn(C)cc1CN(C)c1nc(C(C)(C)C)ns1 ZINC000159990155 432703664 /nfs/dbraw/zinc/70/36/64/432703664.db2.gz YRTNRHRHLXYNGR-UHFFFAOYSA-N 0 0 307.467 3.329 10 70 DGIERN O=C(NCC1(C2CC2)CC1)c1ccn(-c2c(F)cccc2F)n1 ZINC000160034348 432705168 /nfs/dbraw/zinc/70/51/68/432705168.db2.gz LAUCBLOTBARMPD-UHFFFAOYSA-N 0 0 317.339 3.071 10 70 DGIERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000160125474 432709196 /nfs/dbraw/zinc/70/91/96/432709196.db2.gz QAXSLEYVNORBDZ-BLLLJJGKSA-N 0 0 312.413 3.201 10 70 DGIERN O=C(CC(Cc1ccccc1)Cc1ccccc1)NC1(CO)CC1 ZINC000160229787 432712674 /nfs/dbraw/zinc/71/26/74/432712674.db2.gz IYPRNNPOGSLYIG-UHFFFAOYSA-N 0 0 323.436 3.119 10 70 DGIERN CSCCCCNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000160259170 432713685 /nfs/dbraw/zinc/71/36/85/432713685.db2.gz IFJNRWFDGYRLHU-HNNXBMFYSA-N 0 0 324.446 3.119 10 70 DGIERN CSCCCCNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000160259043 432714010 /nfs/dbraw/zinc/71/40/10/432714010.db2.gz IFJNRWFDGYRLHU-OAHLLOKOSA-N 0 0 324.446 3.119 10 70 DGIERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C ZINC000160411531 432719029 /nfs/dbraw/zinc/71/90/29/432719029.db2.gz PXDWOENKTQQFNV-XJKSGUPXSA-N 0 0 317.433 3.201 10 70 DGIERN CS(=O)(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccccc2)cc1 ZINC000159415378 432683860 /nfs/dbraw/zinc/68/38/60/432683860.db2.gz UGZBVEWJTQCLAU-DLBZAZTESA-N 0 0 317.410 3.032 10 70 DGIERN CC(C)[C@H](O)CC(=O)NCC1CCC(c2ccccc2)CC1 ZINC000159459925 432684175 /nfs/dbraw/zinc/68/41/75/432684175.db2.gz QKAVYLOGCWVBJR-VMWRSERWSA-N 0 0 303.446 3.484 10 70 DGIERN Cc1cnc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)cn1 ZINC000159561369 432686571 /nfs/dbraw/zinc/68/65/71/432686571.db2.gz CJZAKVYWBZFBEU-CQSZACIVSA-N 0 0 313.401 3.311 10 70 DGIERN Cc1ccc([C@@H](C)NC(=O)c2ncn(-c3ccccc3)n2)cc1F ZINC000159531353 432686594 /nfs/dbraw/zinc/68/65/94/432686594.db2.gz DPUDCKFTWWWDRS-CYBMUJFWSA-N 0 0 324.359 3.206 10 70 DGIERN Fc1cc(F)c2nccc(NCCCOC[C@@H]3CCOC3)c2c1 ZINC000159601136 432689106 /nfs/dbraw/zinc/68/91/06/432689106.db2.gz RESIOXVRUFUJPF-LBPRGKRZSA-N 0 0 322.355 3.368 10 70 DGIERN CCc1cccc(OCCSC[C@@H](C)CS(C)(=O)=O)c1 ZINC000159647106 432691033 /nfs/dbraw/zinc/69/10/33/432691033.db2.gz VSLOSWWKHAVOGY-CYBMUJFWSA-N 0 0 316.488 3.042 10 70 DGIERN O=C(CCc1ccccn1)N1CC=C(c2ccccc2F)CC1 ZINC000159660525 432691783 /nfs/dbraw/zinc/69/17/83/432691783.db2.gz WUTBCQLRNLYHAT-UHFFFAOYSA-N 0 0 310.372 3.469 10 70 DGIERN CCC[C@H](CC)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000160874214 432747237 /nfs/dbraw/zinc/74/72/37/432747237.db2.gz USTGXNWSJCSLQN-UWVGGRQHSA-N 0 0 317.355 3.228 10 70 DGIERN CCCN(CC(=O)Nc1ccccc1OC)Cc1cncs1 ZINC000160893033 432747331 /nfs/dbraw/zinc/74/73/31/432747331.db2.gz QHMGJJVGWFYKGL-UHFFFAOYSA-N 0 0 319.430 3.002 10 70 DGIERN C[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)c(Cl)c1 ZINC000160909224 432750190 /nfs/dbraw/zinc/75/01/90/432750190.db2.gz OMFQNSYQYVHVDH-BMIGLBTASA-N 0 0 314.788 3.097 10 70 DGIERN CC(C)[C@@H](O)Cc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000161014603 432753818 /nfs/dbraw/zinc/75/38/18/432753818.db2.gz MPJWLPTYVWCGLO-INIZCTEOSA-N 0 0 315.417 3.286 10 70 DGIERN C[C@H](CN1c2ccccc2S[C@H](C)[C@H]1C)CS(C)(=O)=O ZINC000161201482 432765099 /nfs/dbraw/zinc/76/50/99/432765099.db2.gz QIXCJHZNGWPSLL-JHJVBQTASA-N 0 0 313.488 3.056 10 70 DGIERN O=C(Nc1ccccc1Oc1cccc(F)c1)NC1(CO)CC1 ZINC000161208189 432766582 /nfs/dbraw/zinc/76/65/82/432766582.db2.gz CGIOHPQSJJYXDZ-UHFFFAOYSA-N 0 0 316.332 3.264 10 70 DGIERN CCOC(=O)CC[C@@H](C)NC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000161431508 432778365 /nfs/dbraw/zinc/77/83/65/432778365.db2.gz SCRUIDRFUYXUSY-DOMZBBRYSA-N 0 0 309.381 3.167 10 70 DGIERN CS[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000161414653 432778536 /nfs/dbraw/zinc/77/85/36/432778536.db2.gz VSSWEFIAGUAUMH-RDJZCZTQSA-N 0 0 320.502 3.299 10 70 DGIERN CC(C)[C@@H](O)CC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000160659556 432734611 /nfs/dbraw/zinc/73/46/11/432734611.db2.gz MTFSGRPFLKBXBJ-KRWDZBQOSA-N 0 0 305.418 3.491 10 70 DGIERN CC(=O)CCC(C)(C)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160698148 432736252 /nfs/dbraw/zinc/73/62/52/432736252.db2.gz GFTZQRSVTFNQDU-UHFFFAOYSA-N 0 0 324.490 3.495 10 70 DGIERN CCc1noc(C)c1NC(=O)Cc1c(Cl)cccc1OC ZINC000160803638 432741948 /nfs/dbraw/zinc/74/19/48/432741948.db2.gz GCYGSOUMKWSIBP-UHFFFAOYSA-N 0 0 308.765 3.389 10 70 DGIERN COc1ccccc1[C@H](NC(=O)N[C@@H]1C[C@@H]1C)c1ccco1 ZINC000160805493 432742798 /nfs/dbraw/zinc/74/27/98/432742798.db2.gz MWXKBTYKDBTWLX-GHJWDPDVSA-N 0 0 300.358 3.085 10 70 DGIERN O=C(CCc1ccccc1O)NCCc1cc2ccccc2[nH]1 ZINC000159527618 292794397 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CC(C)Oc1cccnc1C(=O)NC1CCC(OC(C)C)CC1 ZINC000159568023 546054371 /nfs/dbraw/zinc/05/43/71/546054371.db2.gz FNZUNAYQCXBJKO-UHFFFAOYSA-N 0 0 320.433 3.335 10 70 DGIERN COc1cccc(Cl)c1CC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000159921683 546057499 /nfs/dbraw/zinc/05/74/99/546057499.db2.gz IMZDQLROZRYUPS-UHFFFAOYSA-N 0 0 321.808 3.481 10 70 DGIERN CNC(=O)c1ccccc1OCc1noc(C2CCCCC2)n1 ZINC000160704077 197433194 /nfs/dbraw/zinc/43/31/94/197433194.db2.gz YSEQOCSHEOPDCC-UHFFFAOYSA-N 0 0 315.373 3.056 10 70 DGIERN CNC(=O)[C@@H]1CCCC[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000160042940 197382064 /nfs/dbraw/zinc/38/20/64/197382064.db2.gz UNNOLFBQILAUDX-RISCZKNCSA-N 0 0 319.355 3.230 10 70 DGIERN O=C(CCC(=O)c1ccc(F)c(F)c1)NCC1(C2CC2)CC1 ZINC000159946882 197376000 /nfs/dbraw/zinc/37/60/00/197376000.db2.gz LTYJPLDTPQHRPV-UHFFFAOYSA-N 0 0 307.340 3.234 10 70 DGIERN Cc1cccc([C@H](NC(=O)C[C@H](O)C(C)C)c2ccccn2)c1 ZINC000159896227 197371767 /nfs/dbraw/zinc/37/17/67/197371767.db2.gz BBNKNMWAXOSZAZ-HKUYNNGSSA-N 0 0 312.413 3.003 10 70 DGIERN CC(C)COc1ccc([C@@H](C)NC(=O)C2CCOCC2)cc1 ZINC000159523793 197360612 /nfs/dbraw/zinc/36/06/12/197360612.db2.gz MFTZJYQEWSJNQO-CQSZACIVSA-N 0 0 305.418 3.325 10 70 DGIERN COc1ccc([C@H](C)C(=O)N[C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000159481706 197356945 /nfs/dbraw/zinc/35/69/45/197356945.db2.gz MBWWFEFXXUADQL-GOEBONIOSA-N 0 0 317.429 3.407 10 70 DGIERN Cc1cccc([C@H](C)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159435623 197352926 /nfs/dbraw/zinc/35/29/26/197352926.db2.gz JORSCUBSECOJCV-SZMVWBNQSA-N 0 0 315.413 3.474 10 70 DGIERN Cc1c(CCC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000159424324 197352238 /nfs/dbraw/zinc/35/22/38/197352238.db2.gz RPTJWHCUJOHHMI-SNVBAGLBSA-N 0 0 323.799 3.331 10 70 DGIERN C[C@@H](NC(=O)[C@H]1CCCCO1)c1ccccc1Br ZINC000159965882 197376392 /nfs/dbraw/zinc/37/63/92/197376392.db2.gz NWNHYLCIBPTPDS-ZWNOBZJWSA-N 0 0 312.207 3.195 10 70 DGIERN Cc1ccc(N(C)C(=O)c2cc(S(C)(=O)=O)cs2)c(C)c1 ZINC000161424776 197493433 /nfs/dbraw/zinc/49/34/33/197493433.db2.gz 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/nfs/dbraw/zinc/73/37/00/400733700.db2.gz UQEMKNKDGXXAPS-DOMZBBRYSA-N 0 0 306.406 3.410 10 70 DGIERN Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1nccn1C ZINC000160838993 400736764 /nfs/dbraw/zinc/73/67/64/400736764.db2.gz BCRJGZDPUBXCEY-UHFFFAOYSA-N 0 0 323.444 3.163 10 70 DGIERN CCCC[C@@H](NC(=O)Cc1cccs1)C(=O)OC(C)(C)C ZINC000161217894 400738808 /nfs/dbraw/zinc/73/88/08/400738808.db2.gz HYAFWJPEMTXNOS-CYBMUJFWSA-N 0 0 311.447 3.307 10 70 DGIERN Cc1cc(F)cc2c(O)c(C(=O)N[C@H](C)C(C)(C)C)cnc12 ZINC000161425019 400740259 /nfs/dbraw/zinc/74/02/59/400740259.db2.gz IWDINMSVYNDZNT-SNVBAGLBSA-N 0 0 304.365 3.140 10 70 DGIERN CCc1onc(C)c1C(=O)NCc1ccc(OC(C)(C)C)nc1 ZINC000159562727 164589641 /nfs/dbraw/zinc/58/96/41/164589641.db2.gz OEIZLNVVZMGXAT-UHFFFAOYSA-N 0 0 317.389 3.048 10 70 DGIERN CC(C)(C)C(=O)NCCNc1ccnc2c(F)cc(F)cc12 ZINC000159737329 432693003 /nfs/dbraw/zinc/69/30/03/432693003.db2.gz PUESUIWLSPMXKO-UHFFFAOYSA-N 0 0 307.344 3.087 10 70 DGIERN COc1ccc(N(C)C(=O)CCc2ccccc2O)cc1F ZINC000159748722 432694879 /nfs/dbraw/zinc/69/48/79/432694879.db2.gz NBYJYBGRMCBYPZ-UHFFFAOYSA-N 0 0 303.333 3.136 10 70 DGIERN Cc1ccc([C@H](C)NC(=O)CCCc2nc(C3CC3)no2)o1 ZINC000159822753 432697640 /nfs/dbraw/zinc/69/76/40/432697640.db2.gz XPFRUMPTZWLDBY-NSHDSACASA-N 0 0 303.362 3.049 10 70 DGIERN CCOc1ccc(OCC)c(NC(=O)c2ccc(COC)o2)c1 ZINC000159808532 432698183 /nfs/dbraw/zinc/69/81/83/432698183.db2.gz WYTLRJIAEOUTOT-UHFFFAOYSA-N 0 0 319.357 3.476 10 70 DGIERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)O1 ZINC000159871814 432699346 /nfs/dbraw/zinc/69/93/46/432699346.db2.gz VJLPHPHTTFOMOU-FZKQIMNGSA-N 0 0 311.381 3.489 10 70 DGIERN CCC[C@]1(C)CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 ZINC000159920221 432701652 /nfs/dbraw/zinc/70/16/52/432701652.db2.gz JZSKQLIXLLUQNX-QGZVFWFLSA-N 0 0 300.406 3.011 10 70 DGIERN CC[C@@H](NS(=O)(=O)Cc1ccccc1C)c1nccs1 ZINC000159975664 432702338 /nfs/dbraw/zinc/70/23/38/432702338.db2.gz QOLSEQJGDHFELZ-CYBMUJFWSA-N 0 0 310.444 3.022 10 70 DGIERN O=C(c1cc(F)cc2cccnc21)N1CCOc2ccccc21 ZINC000160060978 432704346 /nfs/dbraw/zinc/70/43/46/432704346.db2.gz HDBIDZWOVKBXOL-UHFFFAOYSA-N 0 0 308.312 3.413 10 70 DGIERN CN(CCCn1ccnc1)c1ccnc2c(F)cc(F)cc12 ZINC000160013460 432705403 /nfs/dbraw/zinc/70/54/03/432705403.db2.gz VNZIOJHOKAYEMQ-UHFFFAOYSA-N 0 0 302.328 3.236 10 70 DGIERN CCN(C)C(=O)c1cccc(C(=O)NCCC2=CCCC2)c1 ZINC000160320556 432714400 /nfs/dbraw/zinc/71/44/00/432714400.db2.gz JOVXIUIBLDKJLR-UHFFFAOYSA-N 0 0 300.402 3.009 10 70 DGIERN CNC(=O)c1ccc(NC(=O)CSC(C)(C)C)c(Cl)c1 ZINC000160351654 432716143 /nfs/dbraw/zinc/71/61/43/432716143.db2.gz NGHRNQPRGJZWOB-UHFFFAOYSA-N 0 0 314.838 3.170 10 70 DGIERN C[C@@H](C(=O)N[C@H]1CCOC2(CCCCC2)C1)c1cccnc1 ZINC000160434220 432721647 /nfs/dbraw/zinc/72/16/47/432721647.db2.gz VWDIQWNHIFCODX-ZBFHGGJFSA-N 0 0 302.418 3.183 10 70 DGIERN Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(-c2cccnc2)n1 ZINC000160464030 432723389 /nfs/dbraw/zinc/72/33/89/432723389.db2.gz DUQANFYVBYYVLO-JKSUJKDBSA-N 0 0 310.401 3.217 10 70 DGIERN C[C@@H](CNc1ccnc2c(F)cc(F)cc12)N1CCOC[C@@H]1C ZINC000159448357 432682844 /nfs/dbraw/zinc/68/28/44/432682844.db2.gz CVSOHHHBXWJYPW-RYUDHWBXSA-N 0 0 321.371 3.034 10 70 DGIERN CCN(CCc1nccs1)CC(=O)Nc1ccc(C)cc1C ZINC000159432848 432683284 /nfs/dbraw/zinc/68/32/84/432683284.db2.gz BKNZDUXYNVZHGV-UHFFFAOYSA-N 0 0 317.458 3.263 10 70 DGIERN C[C@H](C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)N1CCSCC1 ZINC000159560782 432687368 /nfs/dbraw/zinc/68/73/68/432687368.db2.gz UZXLKCMCXORALT-CPUCHLNUSA-N 0 0 318.486 3.179 10 70 DGIERN O=C([C@@H]1Cc2ccccc2O1)N1CC=C(c2ccccc2F)CC1 ZINC000159608188 432687789 /nfs/dbraw/zinc/68/77/89/432687789.db2.gz WPZFUVACTPWGLT-IBGZPJMESA-N 0 0 323.367 3.445 10 70 DGIERN C[C@@H](CSCc1ccc(F)cc1Cl)CS(C)(=O)=O ZINC000159639771 432690238 /nfs/dbraw/zinc/69/02/38/432690238.db2.gz MGDLRFFPSKCTRW-VIFPVBQESA-N 0 0 310.843 3.393 10 70 DGIERN COCOc1ccc(OC)cc1CN(C)Cc1ccc(C)o1 ZINC000160868650 432747892 /nfs/dbraw/zinc/74/78/92/432747892.db2.gz FVPLYXZFZOGNKC-UHFFFAOYSA-N 0 0 305.374 3.211 10 70 DGIERN CCCCN(Cc1ccccc1Cl)C(=O)C[C@@H]1COC(=O)C1 ZINC000160909244 432749996 /nfs/dbraw/zinc/74/99/96/432749996.db2.gz PKSAUCVQRWOGKS-ZDUSSCGKSA-N 0 0 323.820 3.422 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098278 432759594 /nfs/dbraw/zinc/75/95/94/432759594.db2.gz YXGQTNJOGPMHMW-DZGCQCFKSA-N 0 0 317.458 3.231 10 70 DGIERN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000161096554 432760427 /nfs/dbraw/zinc/76/04/27/432760427.db2.gz IUCFLMIJJGFDNA-XJKSGUPXSA-N 0 0 323.458 3.131 10 70 DGIERN CC1=C(C(=O)NCc2cccc(-c3ccccn3)c2)CCCO1 ZINC000161197489 432764951 /nfs/dbraw/zinc/76/49/51/432764951.db2.gz XUKAKILPFJREJJ-UHFFFAOYSA-N 0 0 308.381 3.449 10 70 DGIERN CC(C)CCN(C(=O)NCCCc1nc(C(C)C)no1)C1CC1 ZINC000161184774 432765186 /nfs/dbraw/zinc/76/51/86/432765186.db2.gz YLKWHIGTMLTCSR-UHFFFAOYSA-N 0 0 322.453 3.346 10 70 DGIERN C[C@@H](NC(=O)C1CCC(C)(C)CC1)c1nnc2n1CCCC2 ZINC000161294660 432771808 /nfs/dbraw/zinc/77/18/08/432771808.db2.gz 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/nfs/dbraw/zinc/79/50/09/292795009.db2.gz ZYLFVGQIYXIRAV-UHFFFAOYSA-N 0 0 320.414 3.039 10 70 DGIERN COC(=O)[C@@H](c1cccnc1)N(C)Cc1ccc(F)cc1Cl ZINC000160073663 292806878 /nfs/dbraw/zinc/80/68/78/292806878.db2.gz SHYOBRCIERMPDL-OAHLLOKOSA-N 0 0 322.767 3.220 10 70 DGIERN O=C(NC1(CO)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000160384316 292813301 /nfs/dbraw/zinc/81/33/01/292813301.db2.gz DVOKMJMYVJHSJN-UHFFFAOYSA-N 0 0 307.802 3.323 10 70 DGIERN CC(C)c1ccc(-c2nc(C(=O)NC3(CO)CC3)cs2)cc1 ZINC000160293620 292811406 /nfs/dbraw/zinc/81/14/06/292811406.db2.gz CCZLBCUJKUUZAI-UHFFFAOYSA-N 0 0 316.426 3.188 10 70 DGIERN CC[C@@H](N[C@H](C)C(=O)N(C)Cc1ccccc1)c1nccs1 ZINC000161098497 292828045 /nfs/dbraw/zinc/82/80/45/292828045.db2.gz YXGQTNJOGPMHMW-UKRRQHHQSA-N 0 0 317.458 3.231 10 70 DGIERN Cc1cccc(CNC(=O)CCc2c[nH]c3c2cccc3C)n1 ZINC000161144504 292829642 /nfs/dbraw/zinc/82/96/42/292829642.db2.gz IAWRYXQNEOVNGW-UHFFFAOYSA-N 0 0 307.397 3.429 10 70 DGIERN CCC[C@H](NC(=O)c1oc(CC)cc1C)C(=O)OC(C)(C)C ZINC000161359866 292833946 /nfs/dbraw/zinc/83/39/46/292833946.db2.gz YOMKMBKZZGMBKI-ZDUSSCGKSA-N 0 0 309.406 3.391 10 70 DGIERN CN(CCc1ccccn1)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC000161372224 292833987 /nfs/dbraw/zinc/83/39/87/292833987.db2.gz BOMSWMBYULBZJO-FQEVSTJZSA-N 0 0 308.425 3.377 10 70 DGIERN Cc1cccc(-c2noc(Cn3nc(C4CC4)nc3C3CC3)n2)c1 ZINC000161427745 292835119 /nfs/dbraw/zinc/83/51/19/292835119.db2.gz GDLJXEUEKFAIQL-UHFFFAOYSA-N 0 0 321.384 3.440 10 70 DGIERN C[C@H](C(=O)N1CC(C)(C)Oc2ccccc21)C1CCOCC1 ZINC000160163825 298003032 /nfs/dbraw/zinc/00/30/32/298003032.db2.gz LFHXSRLLGKMINM-ZDUSSCGKSA-N 0 0 303.402 3.253 10 70 DGIERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000159703468 534085197 /nfs/dbraw/zinc/08/51/97/534085197.db2.gz NFJGRDRWDHKISH-ACJLOTCBSA-N 0 0 324.428 3.232 10 70 DGIERN C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(NC(=O)N(C)C)ccc1Cl ZINC000160710729 534232412 /nfs/dbraw/zinc/23/24/12/534232412.db2.gz NSHQFWQSCMBZPX-WDEREUQCSA-N 0 0 323.824 3.304 10 70 DGIERN Fc1ccc(-n2ccc(Cn3nc(C4CC4)nc3C3CC3)n2)cc1 ZINC000161459739 534459411 /nfs/dbraw/zinc/45/94/11/534459411.db2.gz VZPYHOGXKZGACU-UHFFFAOYSA-N 0 0 323.375 3.406 10 70 DGIERN Cc1nc(NC(=O)c2c(F)cc(F)cc2F)cc(C2CC2)n1 ZINC000160226480 534480829 /nfs/dbraw/zinc/48/08/29/534480829.db2.gz AONUMJWZZKPIQI-UHFFFAOYSA-N 0 0 307.275 3.332 10 70 DGIERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)C2CCOCC2)n1 ZINC000159752717 524848222 /nfs/dbraw/zinc/84/82/22/524848222.db2.gz JIDZAWJSJRSGJI-PBHICJAKSA-N 0 0 302.418 3.116 10 70 DGIERN C[C@H]1CC(=O)CC[C@H]1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000160317036 526210913 /nfs/dbraw/zinc/21/09/13/526210913.db2.gz JMINDUWBSIVYSG-XJKSGUPXSA-N 0 0 315.388 3.447 10 70 DGIERN CCNC(=O)c1ccc(NC(=O)Cc2cccc(CC)c2)c(C)c1 ZINC000159677803 546054972 /nfs/dbraw/zinc/05/49/72/546054972.db2.gz MFLBBEGHQFYOOA-UHFFFAOYSA-N 0 0 324.424 3.488 10 70 DGIERN C[C@@H](CO)[C@@H](C)NC(=O)c1sc2cc(F)ccc2c1Cl ZINC000160332637 546060141 /nfs/dbraw/zinc/06/01/41/546060141.db2.gz NDYONIPSYGEQRZ-JGVFFNPUSA-N 0 0 315.797 3.441 10 70 DGIERN Cc1ccc(NC(=O)C[C@H](O)C(C)C)cc1NC(=O)C(C)(C)C ZINC000159705949 186136782 /nfs/dbraw/zinc/13/67/82/186136782.db2.gz CWDBWPXXWIRMJA-HNNXBMFYSA-N 0 0 320.433 3.325 10 70 DGIERN Cc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1NC(=O)C(C)(C)C ZINC000159706093 186136989 /nfs/dbraw/zinc/13/69/89/186136989.db2.gz CWDBWPXXWIRMJA-OAHLLOKOSA-N 0 0 320.433 3.325 10 70 DGIERN CSc1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160421377 197409185 /nfs/dbraw/zinc/40/91/85/197409185.db2.gz LWLJGHLPOMRCDG-DYVFJYSZSA-N 0 0 305.443 3.176 10 70 DGIERN Cc1nc(NC(=O)c2cc3c(s2)CCOC3)cc(C2CC2)n1 ZINC000160198548 197392628 /nfs/dbraw/zinc/39/26/28/197392628.db2.gz CZVBGRNHGAFSGN-UHFFFAOYSA-N 0 0 315.398 3.049 10 70 DGIERN Cc1cnc(CCN(C)C(=O)NC[C@@H]2CCC[C@H](C)C2)s1 ZINC000159924456 197373850 /nfs/dbraw/zinc/37/38/50/197373850.db2.gz ZWABHPFBHDKMRY-GXTWGEPZSA-N 0 0 309.479 3.462 10 70 DGIERN NC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000159484953 197356585 /nfs/dbraw/zinc/35/65/85/197356585.db2.gz 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/nfs/dbraw/zinc/24/98/60/278249860.db2.gz BZDVZFIHPQHJDC-IUCAKERBSA-N 0 0 317.355 3.084 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)c2ccc3nncn3c2)c2ccccc21 ZINC000159701703 278586437 /nfs/dbraw/zinc/58/64/37/278586437.db2.gz MYMRYDJXJNGWBX-MLGOLLRUSA-N 0 0 306.369 3.098 10 70 DGIERN O=C(NCCC1CCCCC1)NC[C@H]1COc2ccccc2O1 ZINC000217305234 432655029 /nfs/dbraw/zinc/65/50/29/432655029.db2.gz MCKDIWIJYXQSGJ-HNNXBMFYSA-N 0 0 318.417 3.096 10 70 DGIERN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cnc2c(c1)ncn2C ZINC000159787408 432695227 /nfs/dbraw/zinc/69/52/27/432695227.db2.gz GATMZYQKUHKBKA-JSGCOSHPSA-N 0 0 300.406 3.057 10 70 DGIERN Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)C2CCOCC2)n1 ZINC000159752605 432695753 /nfs/dbraw/zinc/69/57/53/432695753.db2.gz JIDZAWJSJRSGJI-WMLDXEAASA-N 0 0 302.418 3.116 10 70 DGIERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cc3ccccc3)ccc2O)O1 ZINC000159871941 432699327 /nfs/dbraw/zinc/69/93/27/432699327.db2.gz VJLPHPHTTFOMOU-SCLBCKFNSA-N 0 0 311.381 3.489 10 70 DGIERN CC[C@H](NS(=O)(=O)Cc1ccccc1C)c1nccs1 ZINC000159975549 432703882 /nfs/dbraw/zinc/70/38/82/432703882.db2.gz QOLSEQJGDHFELZ-ZDUSSCGKSA-N 0 0 310.444 3.022 10 70 DGIERN Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCCc3sccc32)n1 ZINC000160083434 432707147 /nfs/dbraw/zinc/70/71/47/432707147.db2.gz OTDMWDGOJQMHMU-JSGCOSHPSA-N 0 0 303.431 3.316 10 70 DGIERN COc1ccc([C@H](C)NC(=O)[C@@H](C)C2CCOCC2)cc1F ZINC000160175567 432710882 /nfs/dbraw/zinc/71/08/82/432710882.db2.gz GZSCKHBQJGGETM-RYUDHWBXSA-N 0 0 309.381 3.074 10 70 DGIERN CO[C@H](C)c1cccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000160357772 432715618 /nfs/dbraw/zinc/71/56/18/432715618.db2.gz MOXCJBVUAOGCHO-JHJVBQTASA-N 0 0 306.406 3.472 10 70 DGIERN CCc1nnc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)[nH]1 ZINC000160494011 432722736 /nfs/dbraw/zinc/72/27/36/432722736.db2.gz YOYSOGKZKDERGD-ZDUSSCGKSA-N 0 0 302.422 3.253 10 70 DGIERN O=C(CCCCc1ccc(Cl)c(Cl)c1)NC1(CO)CC1 ZINC000160501176 432725045 /nfs/dbraw/zinc/72/50/45/432725045.db2.gz JVTJMGPOTIIEER-UHFFFAOYSA-N 0 0 316.228 3.347 10 70 DGIERN Fc1cc(F)c2nccc(NCCOC[C@H]3CCCO3)c2c1 ZINC000159507760 432685093 /nfs/dbraw/zinc/68/50/93/432685093.db2.gz ZOCNGGPMRZLWCK-GFCCVEGCSA-N 0 0 308.328 3.121 10 70 DGIERN Cc1nc(C)n(-c2ccccc2NC(=O)c2ccc(C)nc2C)n1 ZINC000159498842 432685217 /nfs/dbraw/zinc/68/52/17/432685217.db2.gz OAEIPPGKJLZNHN-UHFFFAOYSA-N 0 0 321.384 3.148 10 70 DGIERN Fc1cc(F)c2nccc(NCCOC[C@@H]3CCCO3)c2c1 ZINC000159507621 432685462 /nfs/dbraw/zinc/68/54/62/432685462.db2.gz ZOCNGGPMRZLWCK-LBPRGKRZSA-N 0 0 308.328 3.121 10 70 DGIERN NC(=O)[C@H](N[C@H]1CCCc2cc(F)ccc21)c1ccc(F)cc1 ZINC000159536470 432686980 /nfs/dbraw/zinc/68/69/80/432686980.db2.gz CEBQAFGFOWBQPH-DLBZAZTESA-N 0 0 316.351 3.158 10 70 DGIERN CCc1oc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cc1C ZINC000159525470 432687401 /nfs/dbraw/zinc/68/74/01/432687401.db2.gz RNPNHYUJGLFUKB-UHFFFAOYSA-N 0 0 316.382 3.447 10 70 DGIERN C[C@@H](CSCc1c(F)cccc1Cl)CS(C)(=O)=O ZINC000159631956 432689621 /nfs/dbraw/zinc/68/96/21/432689621.db2.gz CTHWCONCHQQETI-VIFPVBQESA-N 0 0 310.843 3.393 10 70 DGIERN CCCn1cc(C(=O)N2CC=C(c3ccccc3F)CC2)cn1 ZINC000159638669 432690905 /nfs/dbraw/zinc/69/09/05/432690905.db2.gz AARORYZCVGBRFC-UHFFFAOYSA-N 0 0 313.376 3.362 10 70 DGIERN CCC(C)(C)c1ccc(CNC(=O)NCCn2cccn2)cc1 ZINC000159688450 432691674 /nfs/dbraw/zinc/69/16/74/432691674.db2.gz WRTGVGASKLPIRQ-UHFFFAOYSA-N 0 0 314.433 3.070 10 70 DGIERN CCC[C@@H](CC)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000160874106 432747241 /nfs/dbraw/zinc/74/72/41/432747241.db2.gz USTGXNWSJCSLQN-VHSXEESVSA-N 0 0 317.355 3.228 10 70 DGIERN CC(C)Sc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)C ZINC000161082120 432757679 /nfs/dbraw/zinc/75/76/79/432757679.db2.gz DLOGBUIGLAOZSG-GFCCVEGCSA-N 0 0 308.447 3.286 10 70 DGIERN COc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C)C2)c(OC)c1OC ZINC000161077526 432758443 /nfs/dbraw/zinc/75/84/43/432758443.db2.gz OCSBQAGXVHWKGD-NEPJUHHUSA-N 0 0 322.405 3.222 10 70 DGIERN CC[C@H](C)CS(=O)(=O)N(Cc1ccccc1)c1ccncc1 ZINC000161077551 432758657 /nfs/dbraw/zinc/75/86/57/432758657.db2.gz PBMIUMMQYICJFT-HNNXBMFYSA-N 0 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NMXQSAGYNFLGTJ-UHFFFAOYSA-N 0 0 308.397 3.174 10 70 DGIERN CC(C)[C@@H](O)CC(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000160627407 432732168 /nfs/dbraw/zinc/73/21/68/432732168.db2.gz OYXSLIAHAIYGFJ-KRWDZBQOSA-N 0 0 304.434 3.268 10 70 DGIERN CS[C@H](C)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160628566 432732749 /nfs/dbraw/zinc/73/27/49/432732749.db2.gz FIGXITCTJZGXRQ-PWSUYJOCSA-N 0 0 320.380 3.211 10 70 DGIERN CCC[C@@H](NC(=O)NCc1ccnn1C)c1ccc(F)cc1F ZINC000160666918 432733682 /nfs/dbraw/zinc/73/36/82/432733682.db2.gz ZMBIDMLKEYFQGQ-OAHLLOKOSA-N 0 0 322.359 3.039 10 70 DGIERN CN(Cc1nnc(-c2ccccc2)n1C)Cc1cccc(F)c1 ZINC000160685973 432735705 /nfs/dbraw/zinc/73/57/05/432735705.db2.gz BWOIHUISBOQNOU-UHFFFAOYSA-N 0 0 310.376 3.253 10 70 DGIERN O=C(NCc1cccnc1OCC(F)F)Nc1ccccc1 ZINC000160690422 432735969 /nfs/dbraw/zinc/73/59/69/432735969.db2.gz OHNRIWTWKZUJCO-UHFFFAOYSA-N 0 0 307.300 3.047 10 70 DGIERN CC1(C)CCCN1C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160691675 432736429 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/nfs/dbraw/zinc/72/11/43/432721143.db2.gz RQZLBMAMHAUMMQ-UHFFFAOYSA-N 0 0 317.414 3.353 10 70 DGIERN CC(C)(C)c1cn2nc(N[C@H]3CCO[C@H](C4CC4)C3)sc2n1 ZINC000160449613 432721521 /nfs/dbraw/zinc/72/15/21/432721521.db2.gz IDYLJEGKMDHMDS-RYUDHWBXSA-N 0 0 320.462 3.458 10 70 DGIERN COc1cccc(F)c1[C@H](C)NC(=O)NC1C[C@@H](C)O[C@H](C)C1 ZINC000159459602 432683614 /nfs/dbraw/zinc/68/36/14/432683614.db2.gz KJMZDYRAGUPYQY-UTUOFQBUSA-N 0 0 324.396 3.151 10 70 DGIERN C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(N)=O)cc2)c2ccccc21 ZINC000159483978 432684854 /nfs/dbraw/zinc/68/48/54/432684854.db2.gz DLKBXNWKFDAYIQ-SJKOYZFVSA-N 0 0 308.381 3.154 10 70 DGIERN CCC[C@H](CC)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000160873964 432748433 /nfs/dbraw/zinc/74/84/33/432748433.db2.gz USTGXNWSJCSLQN-ZJUUUORDSA-N 0 0 317.355 3.228 10 70 DGIERN Cc1nc(C[C@@H]2CCCN(Cc3csc(C(C)C)n3)C2)no1 ZINC000161049915 432756284 /nfs/dbraw/zinc/75/62/84/432756284.db2.gz RVLSOAAOHPFFFO-ZDUSSCGKSA-N 0 0 320.462 3.413 10 70 DGIERN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000161096434 432759020 /nfs/dbraw/zinc/75/90/20/432759020.db2.gz IUCFLMIJJGFDNA-CZUORRHYSA-N 0 0 323.458 3.131 10 70 DGIERN CCc1nc(CNC(=O)Nc2ccn(CCC(C)C)n2)cs1 ZINC000161129927 432761855 /nfs/dbraw/zinc/76/18/55/432761855.db2.gz PQDCMEZTVZGPIK-UHFFFAOYSA-N 0 0 321.450 3.270 10 70 DGIERN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1nccs1 ZINC000161171817 432763988 /nfs/dbraw/zinc/76/39/88/432763988.db2.gz SGLZFCGCPNYFGU-GXSJLCMTSA-N 0 0 324.837 3.259 10 70 DGIERN O=C(N1CCO[C@H](c2cccs2)C1)C(F)(F)c1ccccc1 ZINC000161240935 432768213 /nfs/dbraw/zinc/76/82/13/432768213.db2.gz WISGHBHXZPXGQN-ZDUSSCGKSA-N 0 0 323.364 3.440 10 70 DGIERN C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161259216 432770158 /nfs/dbraw/zinc/77/01/58/432770158.db2.gz CHABSYUAJNYAEW-DZGCQCFKSA-N 0 0 317.410 3.116 10 70 DGIERN CCn1cnnc1[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1 ZINC000161339324 432774756 /nfs/dbraw/zinc/77/47/56/432774756.db2.gz RJFUSDMGPXJNNY-GFCCVEGCSA-N 0 0 322.815 3.470 10 70 DGIERN CC[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccc(OC)cc1 ZINC000161419707 432778631 /nfs/dbraw/zinc/77/86/31/432778631.db2.gz FTKOJHWLTDYJCO-GUYCJALGSA-N 0 0 305.418 3.325 10 70 DGIERN CCOc1ccccc1C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000161483477 432781432 /nfs/dbraw/zinc/78/14/32/432781432.db2.gz RDWQQPUZZWDUFJ-OAHLLOKOSA-N 0 0 317.410 3.361 10 70 DGIERN CCn1c(C)cc(C(=O)N2CCO[C@H](c3cccs3)C2)c1C ZINC000161481308 432781768 /nfs/dbraw/zinc/78/17/68/432781768.db2.gz RLUVBPABRAGVND-HNNXBMFYSA-N 0 0 318.442 3.400 10 70 DGIERN CC[C@H](O)CCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000160726091 432737416 /nfs/dbraw/zinc/73/74/16/432737416.db2.gz UEVALHHWJJUNRQ-GUYCJALGSA-N 0 0 300.402 3.361 10 70 DGIERN C[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)c1cccnc1 ZINC000160779234 432740632 /nfs/dbraw/zinc/74/06/32/432740632.db2.gz UHUGXPKEZCKAIU-GFCCVEGCSA-N 0 0 317.458 3.298 10 70 DGIERN CCC[C@H](NC(=O)/C=C/c1cncc(C)c1)C(=O)OC(C)(C)C ZINC000161504191 432783732 /nfs/dbraw/zinc/78/37/32/432783732.db2.gz 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/nfs/dbraw/zinc/82/67/31/292826731.db2.gz OMENSADVXWIQOV-LLVKDONJSA-N 0 0 302.399 3.151 10 70 DGIERN CCCC[C@@H](NC(=O)[C@H](C)CSC)C(=O)OC(C)(C)C ZINC000161142391 292829250 /nfs/dbraw/zinc/82/92/50/292829250.db2.gz NACSAXLFHUWHIS-VXGBXAGGSA-N 0 0 303.468 3.002 10 70 DGIERN CCC[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000161498922 292836336 /nfs/dbraw/zinc/83/63/36/292836336.db2.gz JYLOQGFCUYEGBU-HNNXBMFYSA-N 0 0 317.429 3.345 10 70 DGIERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160604431 300361818 /nfs/dbraw/zinc/36/18/18/300361818.db2.gz SZRLNVBPMXGMNW-IUCAKERBSA-N 0 0 305.271 3.094 10 70 DGIERN COc1cccc([C@H](C)C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000160130849 533763121 /nfs/dbraw/zinc/76/31/21/533763121.db2.gz ZUTMZZGHMQHPHG-NSHDSACASA-N 0 0 311.385 3.413 10 70 DGIERN CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000160450163 519315417 /nfs/dbraw/zinc/31/54/17/519315417.db2.gz FEBFPRKSSNZAOT-KBPBESRZSA-N 0 0 315.421 3.062 10 70 DGIERN O=C(Nc1ccccc1)C(=O)N(Cc1ccco1)C1CCCC1 ZINC000160888580 527389737 /nfs/dbraw/zinc/38/97/37/527389737.db2.gz UOOPRKMQEOSUSG-UHFFFAOYSA-N 0 0 312.369 3.190 10 70 DGIERN CC(=O)c1csc(C(=O)Nc2cc(C3CC3)nc(C)n2)c1 ZINC000160138643 527428299 /nfs/dbraw/zinc/42/82/99/527428299.db2.gz PUKHZENSTPPEAQ-UHFFFAOYSA-N 0 0 301.371 3.179 10 70 DGIERN