smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cccc(CC)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000001284125 169693810 /nfs/dbraw/zinc/69/38/10/169693810.db2.gz LUBSUDFFJFBIGV-UHFFFAOYSA-N 0 0 295.426 5.187 20 0 CKADRN Cc1cc(Cl)ccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000001284183 169694275 /nfs/dbraw/zinc/69/42/75/169694275.db2.gz ZVHMWVAGXSPPOD-UHFFFAOYSA-N 0 0 287.790 5.024 20 0 CKADRN CC(C)c1ccccc1NC(=O)c1cc2c(s1)CCCC2 ZINC000003561165 169897188 /nfs/dbraw/zinc/89/71/88/169897188.db2.gz XGXXDEIXZRXAEX-UHFFFAOYSA-N 0 0 299.439 5.003 20 0 CKADRN CCc1cccc(C)c1NC(=O)c1cc2ccccc2s1 ZINC000005240756 170078745 /nfs/dbraw/zinc/07/87/45/170078745.db2.gz QKXMKFFWARIXGC-UHFFFAOYSA-N 0 0 295.407 5.024 20 0 CKADRN CC(C)(C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005496120 170104508 /nfs/dbraw/zinc/10/45/08/170104508.db2.gz RNNJFOAYKPJOEU-UHFFFAOYSA-N 0 0 294.609 5.022 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)Cc1ccccc1 ZINC000005522998 170108176 /nfs/dbraw/zinc/10/81/76/170108176.db2.gz PJYQUKBYKLCHKV-UHFFFAOYSA-N 0 0 295.426 5.115 20 0 CKADRN CCCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005614711 170120278 /nfs/dbraw/zinc/12/02/78/170120278.db2.gz UBAQJTLLDCLABD-UHFFFAOYSA-N 0 0 294.609 5.166 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)c1cccc2ccccc21 ZINC000005756065 170137584 /nfs/dbraw/zinc/13/75/84/170137584.db2.gz FPYRZYYGNYZAIY-UHFFFAOYSA-N 0 0 295.769 5.054 20 0 CKADRN CCC(CC)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005917612 170155568 /nfs/dbraw/zinc/15/55/68/170155568.db2.gz GPGUOVBJVUSBMR-UHFFFAOYSA-N 0 0 294.609 5.022 20 0 CKADRN CCCC[C@@H](CC)C(=O)Nc1c(C)cccc1C(C)C ZINC000006042854 170171087 /nfs/dbraw/zinc/17/10/87/170171087.db2.gz RQLYWDWAZWWODB-OAHLLOKOSA-N 0 0 275.436 5.273 20 0 CKADRN CCCC[C@H](CC)C(=O)Nc1c(C)cccc1C(C)C ZINC000006043040 170171180 /nfs/dbraw/zinc/17/11/80/170171180.db2.gz RQLYWDWAZWWODB-HNNXBMFYSA-N 0 0 275.436 5.273 20 0 CKADRN Cc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(Cl)c1 ZINC000006272355 170187617 /nfs/dbraw/zinc/18/76/17/170187617.db2.gz KVCDFTIHXIZARG-UHFFFAOYSA-N 0 0 287.790 5.024 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)CCC1CCCC1 ZINC000006318154 170191095 /nfs/dbraw/zinc/19/10/95/170191095.db2.gz TYQLIAUKTWWUJN-UHFFFAOYSA-N 0 0 273.420 5.027 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)CCC1CCCCC1 ZINC000006318157 170191148 /nfs/dbraw/zinc/19/11/48/170191148.db2.gz CGTABIHSLXTQSX-UHFFFAOYSA-N 0 0 287.447 5.417 20 0 CKADRN Cc1c2ccccc2oc1C(=O)Nc1ccccc1C(C)C ZINC000006375397 170195774 /nfs/dbraw/zinc/19/57/74/170195774.db2.gz MRYWSCIYFVSXBD-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN CCCCc1ccc(NC(=S)Nc2cccc(C)c2)cc1 ZINC000006629417 170220390 /nfs/dbraw/zinc/22/03/90/170220390.db2.gz HIINPRNALYQFIS-UHFFFAOYSA-N 0 0 298.455 5.147 20 0 CKADRN Cc1c2ccccc2oc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000006902516 170253928 /nfs/dbraw/zinc/25/39/28/170253928.db2.gz MNYQIDALQRVEDV-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN CCc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1 ZINC000006942153 170257554 /nfs/dbraw/zinc/25/75/54/170257554.db2.gz DHFQYCMUOPDOPR-UHFFFAOYSA-N 0 0 298.455 5.181 20 0 CKADRN Cc1cc(C)cc(NC(=S)Nc2ccc(C(C)C)cc2)c1 ZINC000006963266 170259276 /nfs/dbraw/zinc/25/92/76/170259276.db2.gz CNSBRHMZLROZCI-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1cc(C)cc(NC(=S)Nc2ccccc2C(C)C)c1 ZINC000006963346 170259260 /nfs/dbraw/zinc/25/92/60/170259260.db2.gz YZFMSVWPSVLZSD-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1ccc(NC(=S)Nc2ccc(C(C)C)cc2)cc1C ZINC000006966658 170259653 /nfs/dbraw/zinc/25/96/53/170259653.db2.gz HPVUDIIATJHRMA-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1ccc(NC(=S)Nc2ccccc2C(C)C)cc1C ZINC000006966671 170259723 /nfs/dbraw/zinc/25/97/23/170259723.db2.gz UISNGSFYMCCYKO-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1cccc(NC(=S)Nc2ccc(C(C)C)cc2)c1C ZINC000006968191 170259692 /nfs/dbraw/zinc/25/96/92/170259692.db2.gz GIZCQMFEWXEETO-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1cccc(NC(=S)Nc2ccccc2C(C)C)c1C ZINC000006968276 170259544 /nfs/dbraw/zinc/25/95/44/170259544.db2.gz OYCRWLUKGAGMMA-UHFFFAOYSA-N 0 0 298.455 5.236 20 0 CKADRN Cc1ccc(C)c(NC(=O)c2ccc(SC(C)C)cc2)c1 ZINC000007598085 170292318 /nfs/dbraw/zinc/29/23/18/170292318.db2.gz UBUAOQTXJJATDS-UHFFFAOYSA-N 0 0 299.439 5.056 20 0 CKADRN CC[C@@H](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007608108 170293440 /nfs/dbraw/zinc/29/34/40/170293440.db2.gz LBGWBDKMRZUBAR-BEFAXECRSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007608109 170293178 /nfs/dbraw/zinc/29/31/78/170293178.db2.gz LBGWBDKMRZUBAR-KXBFYZLASA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@@H](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007608110 170293075 /nfs/dbraw/zinc/29/30/75/170293075.db2.gz LBGWBDKMRZUBAR-DNVCBOLYSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007608111 170293420 /nfs/dbraw/zinc/29/34/20/170293420.db2.gz LBGWBDKMRZUBAR-HNAYVOBHSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000007609975 170293601 /nfs/dbraw/zinc/29/36/01/170293601.db2.gz VVESPXIWZCYHJN-KUHUBIRLSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000007609976 170293514 /nfs/dbraw/zinc/29/35/14/170293514.db2.gz VVESPXIWZCYHJN-LIRRHRJNSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@@H](C)[C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000007609977 170293685 /nfs/dbraw/zinc/29/36/85/170293685.db2.gz VVESPXIWZCYHJN-AUUYWEPGSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@@H](C(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000007609978 170293614 /nfs/dbraw/zinc/29/36/14/170293614.db2.gz VVESPXIWZCYHJN-IFXJQAMLSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@@H](C)[C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000007610126 170293639 /nfs/dbraw/zinc/29/36/39/170293639.db2.gz PBBPAYUUZQHDGX-BEFAXECRSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000007610127 170293745 /nfs/dbraw/zinc/29/37/45/170293745.db2.gz PBBPAYUUZQHDGX-KXBFYZLASA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@@H](C)[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000007610128 170293818 /nfs/dbraw/zinc/29/38/18/170293818.db2.gz PBBPAYUUZQHDGX-DNVCBOLYSA-N 0 0 295.426 5.072 20 0 CKADRN CC[C@H](C)[C@@H](C(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000007610129 170293575 /nfs/dbraw/zinc/29/35/75/170293575.db2.gz PBBPAYUUZQHDGX-HNAYVOBHSA-N 0 0 295.426 5.072 20 0 CKADRN Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)o1 ZINC000007669088 170296927 /nfs/dbraw/zinc/29/69/27/170296927.db2.gz NLXDWJOFABPKEI-UHFFFAOYSA-N 0 0 299.414 5.396 20 0 CKADRN Cc1nc(-c2c3ccccc3[nH]c2-c2ccccc2)cs1 ZINC000007763262 170301332 /nfs/dbraw/zinc/30/13/32/170301332.db2.gz CQGHNHSSIYDHMD-UHFFFAOYSA-N 0 0 290.391 5.267 20 0 CKADRN COc1ccccc1-c1nc(-c2cc(C)ccc2C)cs1 ZINC000007846110 170305325 /nfs/dbraw/zinc/30/53/25/170305325.db2.gz VZLGHOHGTRAMQY-UHFFFAOYSA-N 0 0 295.407 5.103 20 0 CKADRN Clc1cccc(CNc2cccc3ccccc32)c1 ZINC000008436649 170336480 /nfs/dbraw/zinc/33/64/80/170336480.db2.gz ONNVPKGQDURDIN-UHFFFAOYSA-N 0 0 267.759 5.105 20 0 CKADRN Clc1ccc(CNc2ccc3ccccc3c2)cc1 ZINC000008701790 170346978 /nfs/dbraw/zinc/34/69/78/170346978.db2.gz ZMSZYHZCQOBREO-UHFFFAOYSA-N 0 0 267.759 5.105 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccco1 ZINC000014473663 170635497 /nfs/dbraw/zinc/63/54/97/170635497.db2.gz KTJOVZRHMHQLFS-UHFFFAOYSA-N 0 0 299.414 5.098 20 0 CKADRN Cc1cc(C)c(NC(=O)CCC2CCCCC2)c(Cl)c1 ZINC000014669576 170641684 /nfs/dbraw/zinc/64/16/84/170641684.db2.gz HNPQRYAEHJWKAX-UHFFFAOYSA-N 0 0 293.838 5.256 20 0 CKADRN CCc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000019231513 262047007 /nfs/dbraw/zinc/04/70/07/262047007.db2.gz RLPUWJNTUWBXOM-LBPRGKRZSA-N 0 0 291.341 5.024 20 0 CKADRN CSc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000019900624 170912712 /nfs/dbraw/zinc/91/27/12/170912712.db2.gz LTKDOYAUUZMHNX-HNNXBMFYSA-N 0 0 287.453 5.058 20 0 CKADRN COc1ccccc1[C@@H](C)Nc1cccc2ccccc21 ZINC000019900828 170913354 /nfs/dbraw/zinc/91/33/54/170913354.db2.gz XNUMMKZJLLMUJN-CQSZACIVSA-N 0 0 277.367 5.022 20 0 CKADRN C[C@H](Nc1cccc2ccccc21)c1cccs1 ZINC000019900854 170913042 /nfs/dbraw/zinc/91/30/42/170913042.db2.gz WWYPDDMPEDFLOY-LBPRGKRZSA-N 0 0 253.370 5.074 20 0 CKADRN COc1cccc([C@H](C)Nc2cccc3ccccc32)c1 ZINC000019900870 170913369 /nfs/dbraw/zinc/91/33/69/170913369.db2.gz FBLGDIVPTBKIFW-AWEZNQCLSA-N 0 0 277.367 5.022 20 0 CKADRN CSc1ccc(N[C@@H]2CCSc3ccccc32)cc1 ZINC000019906425 170918305 /nfs/dbraw/zinc/91/83/05/170918305.db2.gz RIFFJXWPGHXAAH-OAHLLOKOSA-N 0 0 287.453 5.058 20 0 CKADRN Cc1ccccc1N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019987402 170961686 /nfs/dbraw/zinc/96/16/86/170961686.db2.gz NFKXUFOTHLNHEU-LBPRGKRZSA-N 0 0 295.304 5.067 20 0 CKADRN CSc1cccc(NCc2ccccc2C(F)(F)F)c1 ZINC000019993745 170963334 /nfs/dbraw/zinc/96/33/34/170963334.db2.gz FJWAROWXNSYFJA-UHFFFAOYSA-N 0 0 297.345 5.039 20 0 CKADRN Cc1nc(-c2ccc(N[C@H](C)c3ccccc3)cc2)cs1 ZINC000020546548 171243863 /nfs/dbraw/zinc/24/38/63/171243863.db2.gz KPUMTCGNCGSVMK-CYBMUJFWSA-N 0 0 294.423 5.292 20 0 CKADRN Cc1nc(-c2ccc(N[C@@H](C)c3ccccc3)cc2)cs1 ZINC000020546550 171244015 /nfs/dbraw/zinc/24/40/15/171244015.db2.gz KPUMTCGNCGSVMK-ZDUSSCGKSA-N 0 0 294.423 5.292 20 0 CKADRN CSc1cccc(NCc2ccc3ccccc3c2)c1 ZINC000020547933 171245461 /nfs/dbraw/zinc/24/54/61/171245461.db2.gz KWIMHRBJIMMGJV-UHFFFAOYSA-N 0 0 279.408 5.174 20 0 CKADRN CCc1cccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000020548931 262249212 /nfs/dbraw/zinc/24/92/12/262249212.db2.gz QJPXVNWHFSCATP-LBPRGKRZSA-N 0 0 291.341 5.024 20 0 CKADRN CCc1cccc(N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000020548932 262249245 /nfs/dbraw/zinc/24/92/45/262249245.db2.gz QJPXVNWHFSCATP-GFCCVEGCSA-N 0 0 291.341 5.024 20 0 CKADRN Cc1cccc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000020549915 171246683 /nfs/dbraw/zinc/24/66/83/171246683.db2.gz UTARDLDJOPSRRW-GFCCVEGCSA-N 0 0 295.304 5.067 20 0 CKADRN Cc1cccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)c1 ZINC000020549917 171246667 /nfs/dbraw/zinc/24/66/67/171246667.db2.gz UTARDLDJOPSRRW-LBPRGKRZSA-N 0 0 295.304 5.067 20 0 CKADRN COc1ccc(N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000020551034 171247027 /nfs/dbraw/zinc/24/70/27/171247027.db2.gz AKHXTFSFLLCYTJ-AWEZNQCLSA-N 0 0 277.367 5.022 20 0 CKADRN COc1ccc(N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000020551036 171247057 /nfs/dbraw/zinc/24/70/57/171247057.db2.gz AKHXTFSFLLCYTJ-CQSZACIVSA-N 0 0 277.367 5.022 20 0 CKADRN COc1ccc(N[C@@H](C)c2ccccc2Cl)cc1Cl ZINC000020553430 171248788 /nfs/dbraw/zinc/24/87/88/171248788.db2.gz KFYRZJXQKGJFKB-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@H](C)c2ccccc2Cl)cc1Cl ZINC000020553431 171248729 /nfs/dbraw/zinc/24/87/29/171248729.db2.gz KFYRZJXQKGJFKB-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000020556797 171250503 /nfs/dbraw/zinc/25/05/03/171250503.db2.gz JQISBMPZIYMLBN-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000020556799 171250129 /nfs/dbraw/zinc/25/01/29/171250129.db2.gz JQISBMPZIYMLBN-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN CSc1cccc(NCc2cccc3ccccc32)c1 ZINC000020557039 171250228 /nfs/dbraw/zinc/25/02/28/171250228.db2.gz WVLLZDMXLLYMOG-UHFFFAOYSA-N 0 0 279.408 5.174 20 0 CKADRN Cc1nc([C@H](C)Nc2cccc(C(C)C)c2)c(C)s1 ZINC000020562865 171252583 /nfs/dbraw/zinc/25/25/83/171252583.db2.gz WFQFSBQGTAYVHI-NSHDSACASA-N 0 0 274.433 5.056 20 0 CKADRN Cc1nc([C@@H](C)Nc2cccc(C(C)C)c2)c(C)s1 ZINC000020562866 171252767 /nfs/dbraw/zinc/25/27/67/171252767.db2.gz WFQFSBQGTAYVHI-LLVKDONJSA-N 0 0 274.433 5.056 20 0 CKADRN CCOc1ccccc1N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020562988 262251451 /nfs/dbraw/zinc/25/14/51/262251451.db2.gz MBLZFYROACNATJ-NSHDSACASA-N 0 0 293.769 5.051 20 0 CKADRN CCOc1ccccc1N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000020562991 262251360 /nfs/dbraw/zinc/25/13/60/262251360.db2.gz MBLZFYROACNATJ-LLVKDONJSA-N 0 0 293.769 5.051 20 0 CKADRN COc1ccccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020564273 171253183 /nfs/dbraw/zinc/25/31/83/171253183.db2.gz NGDYYOQQOVYXRV-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccccc1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020564275 171252858 /nfs/dbraw/zinc/25/28/58/171252858.db2.gz NGDYYOQQOVYXRV-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000020565133 171254142 /nfs/dbraw/zinc/25/41/42/171254142.db2.gz AFKHHZFKHSFKFP-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000020565135 171254081 /nfs/dbraw/zinc/25/40/81/171254081.db2.gz AFKHHZFKHSFKFP-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN CC(C)c1ccc(NCc2ccccc2OC(F)F)cc1 ZINC000020566104 171254461 /nfs/dbraw/zinc/25/44/61/171254461.db2.gz CZOWPUJBTBQQSQ-UHFFFAOYSA-N 0 0 291.341 5.024 20 0 CKADRN C[C@@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000021007728 171285221 /nfs/dbraw/zinc/28/52/21/171285221.db2.gz BIZONKHIVZTHBG-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000021007730 171285285 /nfs/dbraw/zinc/28/52/85/171285285.db2.gz BIZONKHIVZTHBG-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN CC(C)c1ccccc1N[C@@H](C)c1ccccc1F ZINC000021010803 171286945 /nfs/dbraw/zinc/28/69/45/171286945.db2.gz LODCBJFFQGLFFW-ZDUSSCGKSA-N 0 0 257.352 5.122 20 0 CKADRN CC(C)c1ccccc1N[C@H](C)c1ccccc1F ZINC000021010804 171286562 /nfs/dbraw/zinc/28/65/62/171286562.db2.gz LODCBJFFQGLFFW-CYBMUJFWSA-N 0 0 257.352 5.122 20 0 CKADRN C[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1Cl ZINC000021011786 171287316 /nfs/dbraw/zinc/28/73/16/171287316.db2.gz KSWSMNNWUIRXRX-MNOVXSKESA-N 0 0 295.760 5.030 20 0 CKADRN C[C@H](N[C@@H](C)c1c(F)cccc1F)c1ccccc1Cl ZINC000021011787 171287325 /nfs/dbraw/zinc/28/73/25/171287325.db2.gz KSWSMNNWUIRXRX-QWRGUYRKSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@H](C)c1c(F)cccc1F)c1ccccc1Cl ZINC000021011788 171287207 /nfs/dbraw/zinc/28/72/07/171287207.db2.gz KSWSMNNWUIRXRX-GHMZBOCLSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1c(F)cccc1F ZINC000021011789 171287066 /nfs/dbraw/zinc/28/70/66/171287066.db2.gz KSWSMNNWUIRXRX-WDEREUQCSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000021012030 262373384 /nfs/dbraw/zinc/37/33/84/262373384.db2.gz SADLVNOEVBXBKF-SNVBAGLBSA-N 0 0 297.732 5.115 20 0 CKADRN C[C@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 ZINC000021012031 262373461 /nfs/dbraw/zinc/37/34/61/262373461.db2.gz SADLVNOEVBXBKF-JTQLQIEISA-N 0 0 297.732 5.115 20 0 CKADRN COc1ccc(N[C@@H](C)c2cccc(Cl)c2)cc1Cl ZINC000021012824 171288437 /nfs/dbraw/zinc/28/84/37/171288437.db2.gz SNVYVEATQZCQOE-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@H](C)c2cccc(Cl)c2)cc1Cl ZINC000021012825 171288418 /nfs/dbraw/zinc/28/84/18/171288418.db2.gz SNVYVEATQZCQOE-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN CSc1cccc(NCc2ccc(C(F)(F)F)cc2)c1 ZINC000021015455 171289625 /nfs/dbraw/zinc/28/96/25/171289625.db2.gz BDPZQKBITZKVHY-UHFFFAOYSA-N 0 0 297.345 5.039 20 0 CKADRN C[C@@H](Nc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000021015695 171289640 /nfs/dbraw/zinc/28/96/40/171289640.db2.gz GWMBQWITUFZUNR-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000021015698 171289658 /nfs/dbraw/zinc/28/96/58/171289658.db2.gz GWMBQWITUFZUNR-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN C[C@@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1 ZINC000021020368 262373675 /nfs/dbraw/zinc/37/36/75/262373675.db2.gz GFKRMPOQYWRQLE-SNVBAGLBSA-N 0 0 288.753 5.134 20 0 CKADRN C[C@H](Nc1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1 ZINC000021020372 262373889 /nfs/dbraw/zinc/37/38/89/262373889.db2.gz GFKRMPOQYWRQLE-JTQLQIEISA-N 0 0 288.753 5.134 20 0 CKADRN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000021032038 171292040 /nfs/dbraw/zinc/29/20/40/171292040.db2.gz UNXFWUGNJSKQHI-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000021032043 171291939 /nfs/dbraw/zinc/29/19/39/171291939.db2.gz UNXFWUGNJSKQHI-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN CSc1cccc(NCc2cccc(C(F)(F)F)c2)c1 ZINC000021036298 171292248 /nfs/dbraw/zinc/29/22/48/171292248.db2.gz HYSORTXIVFPEJM-UHFFFAOYSA-N 0 0 297.345 5.039 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2cccc(F)c2)cc1 ZINC000021038929 171292597 /nfs/dbraw/zinc/29/25/97/171292597.db2.gz KRVAOJYWJKHCET-ZDUSSCGKSA-N 0 0 257.352 5.122 20 0 CKADRN CC(C)c1ccc(N[C@H](C)c2cccc(F)c2)cc1 ZINC000021038935 171292907 /nfs/dbraw/zinc/29/29/07/171292907.db2.gz KRVAOJYWJKHCET-CYBMUJFWSA-N 0 0 257.352 5.122 20 0 CKADRN COc1ccccc1N[C@@H](C)c1ccc2ccccc2c1 ZINC000021061257 171297057 /nfs/dbraw/zinc/29/70/57/171297057.db2.gz YEBULWSLPRHPRO-AWEZNQCLSA-N 0 0 277.367 5.022 20 0 CKADRN COc1ccccc1N[C@H](C)c1ccc2ccccc2c1 ZINC000021061261 171297246 /nfs/dbraw/zinc/29/72/46/171297246.db2.gz YEBULWSLPRHPRO-CQSZACIVSA-N 0 0 277.367 5.022 20 0 CKADRN C[C@@H](Nc1ccccc1C(F)(F)F)c1ccccc1F ZINC000021061739 171297092 /nfs/dbraw/zinc/29/70/92/171297092.db2.gz IZPMCYVRFPSQQE-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1ccccc1C(F)(F)F)c1ccccc1F ZINC000021061743 171297104 /nfs/dbraw/zinc/29/71/04/171297104.db2.gz IZPMCYVRFPSQQE-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN CC(C)c1ccccc1NCc1ccc(OC(F)F)cc1 ZINC000021499583 171304412 /nfs/dbraw/zinc/30/44/12/171304412.db2.gz DVNJZSTZZJYBAI-UHFFFAOYSA-N 0 0 291.341 5.024 20 0 CKADRN Cc1ccc(C)c(N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000021501072 262386835 /nfs/dbraw/zinc/38/68/35/262386835.db2.gz QABWXSKMBNTCDU-CYBMUJFWSA-N 0 0 291.341 5.078 20 0 CKADRN Cc1ccc(C)c(N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000021501074 262387048 /nfs/dbraw/zinc/38/70/48/262387048.db2.gz QABWXSKMBNTCDU-ZDUSSCGKSA-N 0 0 291.341 5.078 20 0 CKADRN COc1ccccc1N[C@@H](C)c1cccc2ccccc21 ZINC000021502186 171305958 /nfs/dbraw/zinc/30/59/58/171305958.db2.gz XERJJUCDHOWUQU-AWEZNQCLSA-N 0 0 277.367 5.022 20 0 CKADRN COc1ccccc1N[C@H](C)c1cccc2ccccc21 ZINC000021502188 171306019 /nfs/dbraw/zinc/30/60/19/171306019.db2.gz XERJJUCDHOWUQU-CQSZACIVSA-N 0 0 277.367 5.022 20 0 CKADRN Cc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000021503231 262387020 /nfs/dbraw/zinc/38/70/20/262387020.db2.gz DOYRRCRJAXKTFD-CYBMUJFWSA-N 0 0 291.341 5.078 20 0 CKADRN Cc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)c(C)c1 ZINC000021503233 262386996 /nfs/dbraw/zinc/38/69/96/262386996.db2.gz DOYRRCRJAXKTFD-ZDUSSCGKSA-N 0 0 291.341 5.078 20 0 CKADRN Cc1ccc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000021505270 171307522 /nfs/dbraw/zinc/30/75/22/171307522.db2.gz OPRAOAOPYXXDAH-GFCCVEGCSA-N 0 0 295.304 5.067 20 0 CKADRN Cc1ccc(N[C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000021505272 171307734 /nfs/dbraw/zinc/30/77/34/171307734.db2.gz OPRAOAOPYXXDAH-LBPRGKRZSA-N 0 0 295.304 5.067 20 0 CKADRN Cc1ccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000021506935 171308477 /nfs/dbraw/zinc/30/84/77/171308477.db2.gz KELILWIRHTYAHP-GFCCVEGCSA-N 0 0 279.305 5.187 20 0 CKADRN Cc1ccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc1 ZINC000021506937 171308453 /nfs/dbraw/zinc/30/84/53/171308453.db2.gz KELILWIRHTYAHP-LBPRGKRZSA-N 0 0 279.305 5.187 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509204 171309236 /nfs/dbraw/zinc/30/92/36/171309236.db2.gz IZLIRAAZXJUPTE-WDEREUQCSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@H](N[C@@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509206 171309282 /nfs/dbraw/zinc/30/92/82/171309282.db2.gz IZLIRAAZXJUPTE-QWRGUYRKSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@H](C)c1ccccc1Cl)c1ccc(F)cc1F ZINC000021509208 171309105 /nfs/dbraw/zinc/30/91/05/171309105.db2.gz IZLIRAAZXJUPTE-GHMZBOCLSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccccc1Cl ZINC000021509209 171309273 /nfs/dbraw/zinc/30/92/73/171309273.db2.gz IZLIRAAZXJUPTE-MNOVXSKESA-N 0 0 295.760 5.030 20 0 CKADRN Cc1ccc(N[C@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000021513813 171311516 /nfs/dbraw/zinc/31/15/16/171311516.db2.gz UTKMYAFSDCSIKO-GFCCVEGCSA-N 0 0 279.305 5.187 20 0 CKADRN Cc1ccc(N[C@@H](C)c2ccccc2C(F)(F)F)cc1 ZINC000021513814 171311504 /nfs/dbraw/zinc/31/15/04/171311504.db2.gz UTKMYAFSDCSIKO-LBPRGKRZSA-N 0 0 279.305 5.187 20 0 CKADRN CC(C)c1ccccc1NCc1ccccc1OC(F)F ZINC000021514007 171311606 /nfs/dbraw/zinc/31/16/06/171311606.db2.gz NIEIQOWDPADMQW-UHFFFAOYSA-N 0 0 291.341 5.024 20 0 CKADRN Cc1cccc(N[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000021514319 262387859 /nfs/dbraw/zinc/38/78/59/262387859.db2.gz LOEWNPRXKOYMAD-GFCCVEGCSA-N 0 0 279.305 5.187 20 0 CKADRN Cc1cccc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000021514321 262388037 /nfs/dbraw/zinc/38/80/37/262388037.db2.gz LOEWNPRXKOYMAD-LBPRGKRZSA-N 0 0 279.305 5.187 20 0 CKADRN Cc1cc(C)cc(N[C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000021516683 262388165 /nfs/dbraw/zinc/38/81/65/262388165.db2.gz GQGKNTXXYNHFRM-CYBMUJFWSA-N 0 0 291.341 5.078 20 0 CKADRN Cc1cc(C)cc(N[C@@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000021516684 262388241 /nfs/dbraw/zinc/38/82/41/262388241.db2.gz GQGKNTXXYNHFRM-ZDUSSCGKSA-N 0 0 291.341 5.078 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000021520371 171315692 /nfs/dbraw/zinc/31/56/92/171315692.db2.gz ZGQIHKFOISBBPE-ZDUSSCGKSA-N 0 0 257.352 5.122 20 0 CKADRN CC(C)c1ccc(N[C@H](C)c2ccc(F)cc2)cc1 ZINC000021520372 171315592 /nfs/dbraw/zinc/31/55/92/171315592.db2.gz ZGQIHKFOISBBPE-CYBMUJFWSA-N 0 0 257.352 5.122 20 0 CKADRN CC(C)c1ccc(NCc2ccc(OC(F)F)cc2)cc1 ZINC000021787069 171322596 /nfs/dbraw/zinc/32/25/96/171322596.db2.gz XZIPPDWNCLLOBJ-UHFFFAOYSA-N 0 0 291.341 5.024 20 0 CKADRN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000021791913 171324259 /nfs/dbraw/zinc/32/42/59/171324259.db2.gz RCITXKBRJURNHN-SNVBAGLBSA-N 0 0 283.268 5.018 20 0 CKADRN C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000021791917 171324331 /nfs/dbraw/zinc/32/43/31/171324331.db2.gz RCITXKBRJURNHN-JTQLQIEISA-N 0 0 283.268 5.018 20 0 CKADRN Cc1ccccc1N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000021796418 262456123 /nfs/dbraw/zinc/45/61/23/262456123.db2.gz CNUDYFAIPIKHHL-GFCCVEGCSA-N 0 0 279.305 5.187 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2ccccc2F)cc1 ZINC000021800895 171325774 /nfs/dbraw/zinc/32/57/74/171325774.db2.gz NQDBLQJTNPBMBI-ZDUSSCGKSA-N 0 0 257.352 5.122 20 0 CKADRN CC(C)c1ccc(N[C@H](C)c2ccccc2F)cc1 ZINC000021800898 171325999 /nfs/dbraw/zinc/32/59/99/171325999.db2.gz NQDBLQJTNPBMBI-CYBMUJFWSA-N 0 0 257.352 5.122 20 0 CKADRN CC[C@H](Nc1cccc(SC)c1)c1cccs1 ZINC000021802220 262460067 /nfs/dbraw/zinc/46/00/67/262460067.db2.gz KZVMTPFABWUUEX-ZDUSSCGKSA-N 0 0 263.431 5.033 20 0 CKADRN CC[C@@H](Nc1cccc(SC)c1)c1ccc(F)cc1 ZINC000021803976 171326721 /nfs/dbraw/zinc/32/67/21/171326721.db2.gz JLTOKDAQJMMYCF-MRXNPFEDSA-N 0 0 275.392 5.111 20 0 CKADRN CC[C@H](Nc1cccc(SC)c1)c1ccc(F)cc1 ZINC000021803979 171326882 /nfs/dbraw/zinc/32/68/82/171326882.db2.gz JLTOKDAQJMMYCF-INIZCTEOSA-N 0 0 275.392 5.111 20 0 CKADRN CC[C@@H](Nc1ccc(SC)cc1)c1cccs1 ZINC000021805186 171327251 /nfs/dbraw/zinc/32/72/51/171327251.db2.gz VCHSHDMIAKDIJQ-CYBMUJFWSA-N 0 0 263.431 5.033 20 0 CKADRN CC[C@H](Nc1ccc(SC)cc1)c1cccs1 ZINC000021805189 171327232 /nfs/dbraw/zinc/32/72/32/171327232.db2.gz VCHSHDMIAKDIJQ-ZDUSSCGKSA-N 0 0 263.431 5.033 20 0 CKADRN COc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000021806132 171327346 /nfs/dbraw/zinc/32/73/46/171327346.db2.gz SWMBYTPAPKWGDL-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1 ZINC000021806135 171327594 /nfs/dbraw/zinc/32/75/94/171327594.db2.gz SWMBYTPAPKWGDL-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN Cc1cccc(N[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000021809467 171328699 /nfs/dbraw/zinc/32/86/99/171328699.db2.gz LPKILJFOKRNHJF-GFCCVEGCSA-N 0 0 279.305 5.187 20 0 CKADRN Cc1cccc(N[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000021809469 171328709 /nfs/dbraw/zinc/32/87/09/171328709.db2.gz LPKILJFOKRNHJF-LBPRGKRZSA-N 0 0 279.305 5.187 20 0 CKADRN CSc1cccc(NCc2ccc(Cl)c(Cl)c2)c1 ZINC000021810909 171328986 /nfs/dbraw/zinc/32/89/86/171328986.db2.gz AWJBJGATZDUQJV-UHFFFAOYSA-N 0 0 298.238 5.327 20 0 CKADRN C[C@@H](Nc1cccc2ccccc21)c1ccccc1F ZINC000021816459 171332299 /nfs/dbraw/zinc/33/22/99/171332299.db2.gz ZKVVYUUTZVFOCC-CYBMUJFWSA-N 0 0 265.331 5.152 20 0 CKADRN C[C@H](Nc1cccc2ccccc21)c1ccccc1F ZINC000021816461 171332494 /nfs/dbraw/zinc/33/24/94/171332494.db2.gz ZKVVYUUTZVFOCC-ZDUSSCGKSA-N 0 0 265.331 5.152 20 0 CKADRN Cc1cccc(N[C@H](C)c2ccc(OC(F)F)cc2)c1C ZINC000021818490 262461965 /nfs/dbraw/zinc/46/19/65/262461965.db2.gz YWLWVKCGSOHWHM-CYBMUJFWSA-N 0 0 291.341 5.078 20 0 CKADRN COc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000021819527 171334145 /nfs/dbraw/zinc/33/41/45/171334145.db2.gz SBFIKEMRXAJCOB-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000021819529 171334004 /nfs/dbraw/zinc/33/40/04/171334004.db2.gz SBFIKEMRXAJCOB-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN CSc1cccc(NCc2cccc(Cl)c2Cl)c1 ZINC000022147447 171357221 /nfs/dbraw/zinc/35/72/21/171357221.db2.gz LQKPNCFKVNSZDV-UHFFFAOYSA-N 0 0 298.238 5.327 20 0 CKADRN Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)sc1C ZINC000024021675 329340591 /nfs/dbraw/zinc/34/05/91/329340591.db2.gz JWGVJSQJQPDRFF-UHFFFAOYSA-N 0 0 287.428 5.049 20 0 CKADRN CCCCN(CCCC)C(=O)Nc1c(C)cc(C)cc1C ZINC000026393545 329341588 /nfs/dbraw/zinc/34/15/88/329341588.db2.gz HOSMQDIXYCWRRT-UHFFFAOYSA-N 0 0 290.451 5.046 20 0 CKADRN CC(C)c1ccc(NC(=O)c2cccs2)c(C(C)C)c1 ZINC000027139057 260120665 /nfs/dbraw/zinc/12/06/65/260120665.db2.gz OQENIZNAJHIXJR-UHFFFAOYSA-N 0 0 287.428 5.247 20 0 CKADRN Cc1ccsc1-c1nc(-c2ccccc2)c(C)s1 ZINC000028334284 328011055 /nfs/dbraw/zinc/01/10/55/328011055.db2.gz DAVZRQMJPILJEW-UHFFFAOYSA-N 0 0 271.410 5.155 20 0 CKADRN Cc1ccsc1-c1nc(-c2c[nH]c3ccccc23)cs1 ZINC000028334346 328011093 /nfs/dbraw/zinc/01/10/93/328011093.db2.gz JRHROIRBWJJCRZ-UHFFFAOYSA-N 0 0 296.420 5.328 20 0 CKADRN Cc1ccsc1-c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000028334359 328011087 /nfs/dbraw/zinc/01/10/87/328011087.db2.gz LNQVWPLYONQKIS-UHFFFAOYSA-N 0 0 293.363 5.125 20 0 CKADRN Clc1cc(-c2csc(C3CC3)n2)c(Cl)s1 ZINC000028335150 328011118 /nfs/dbraw/zinc/01/11/18/328011118.db2.gz QROADSHOXWMJGL-UHFFFAOYSA-N 0 0 276.213 5.056 20 0 CKADRN C[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000035019057 171936714 /nfs/dbraw/zinc/93/67/14/171936714.db2.gz IVONNIQJBMREKA-CYBMUJFWSA-N 0 0 265.331 5.152 20 0 CKADRN c1csc(CNc2ccc(-c3ccccc3)cc2)c1 ZINC000035022254 171941331 /nfs/dbraw/zinc/94/13/31/171941331.db2.gz KBEWQYYUZRZRQA-UHFFFAOYSA-N 0 0 265.381 5.027 20 0 CKADRN FC(F)Sc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000035038231 171944301 /nfs/dbraw/zinc/94/43/01/171944301.db2.gz KAJIJXISRHSGSN-UHFFFAOYSA-N 0 0 299.773 5.267 20 0 CKADRN CSc1ccccc1NCc1ccccc1C(F)(F)F ZINC000035040651 329545547 /nfs/dbraw/zinc/54/55/47/329545547.db2.gz IHAOTLXAZWXQAA-UHFFFAOYSA-N 0 0 297.345 5.039 20 0 CKADRN Clc1cccc(CNc2ccc3ccccc3c2)c1 ZINC000035141316 172009322 /nfs/dbraw/zinc/00/93/22/172009322.db2.gz QCZPQQDPUNWJNQ-UHFFFAOYSA-N 0 0 267.759 5.105 20 0 CKADRN Clc1ccccc1CNc1ccc2ccccc2c1 ZINC000035141319 172008936 /nfs/dbraw/zinc/00/89/36/172008936.db2.gz UZUMTTADRZESFI-UHFFFAOYSA-N 0 0 267.759 5.105 20 0 CKADRN Cc1cc([C@@H](C)NCc2c(F)cccc2Cl)c(C)s1 ZINC000035252867 172082968 /nfs/dbraw/zinc/08/29/68/172082968.db2.gz XLAIEOSOSALQEE-SNVBAGLBSA-N 0 0 297.826 5.008 20 0 CKADRN Cc1cc([C@H](C)NCc2c(F)cccc2Cl)c(C)s1 ZINC000035252868 172082397 /nfs/dbraw/zinc/08/23/97/172082397.db2.gz XLAIEOSOSALQEE-JTQLQIEISA-N 0 0 297.826 5.008 20 0 CKADRN CSc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000035285652 172104040 /nfs/dbraw/zinc/10/40/40/172104040.db2.gz BWYGTBWRECPHIB-VIFPVBQESA-N 0 0 283.849 5.297 20 0 CKADRN CSc1cccc(N[C@H](C)c2ccc(Cl)s2)c1 ZINC000035285654 172104024 /nfs/dbraw/zinc/10/40/24/172104024.db2.gz BWYGTBWRECPHIB-SECBINFHSA-N 0 0 283.849 5.297 20 0 CKADRN CC[C@H](Nc1cccc(COC)c1)c1cccc(Cl)c1 ZINC000036918217 330313618 /nfs/dbraw/zinc/31/36/18/330313618.db2.gz GLKVZLWAKCMTIX-KRWDZBQOSA-N 0 0 289.806 5.050 20 0 CKADRN CC[C@@H](Nc1cccc(COC)c1)c1cccc(Cl)c1 ZINC000036918218 330313645 /nfs/dbraw/zinc/31/36/45/330313645.db2.gz GLKVZLWAKCMTIX-QGZVFWFLSA-N 0 0 289.806 5.050 20 0 CKADRN CC[C@H](Nc1cccc(COC)c1)c1ccc(Cl)cc1 ZINC000036918239 330313542 /nfs/dbraw/zinc/31/35/42/330313542.db2.gz KPNUQDPPJPIOIO-KRWDZBQOSA-N 0 0 289.806 5.050 20 0 CKADRN CC[C@@H](Nc1cccc(COC)c1)c1ccc(Cl)cc1 ZINC000036918240 330313560 /nfs/dbraw/zinc/31/35/60/330313560.db2.gz KPNUQDPPJPIOIO-QGZVFWFLSA-N 0 0 289.806 5.050 20 0 CKADRN C[C@H](Nc1cc(Cl)cc2cccnc21)c1cccs1 ZINC000036918532 172803710 /nfs/dbraw/zinc/80/37/10/172803710.db2.gz QZASISVXPXZNAA-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN Cc1ccc([C@@H](C)Nc2cccc(-c3csc(C)n3)c2)o1 ZINC000037047263 333467163 /nfs/dbraw/zinc/46/71/63/333467163.db2.gz DVJYQRKCVPKOOY-GFCCVEGCSA-N 0 0 298.411 5.193 20 0 CKADRN CC[C@H]([NH2+][C@@H](C)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000037048237 260065795 /nfs/dbraw/zinc/06/57/95/260065795.db2.gz XTPZIIWAGNXXMB-KSSFIOAISA-N 0 0 271.404 5.007 20 0 CKADRN CC[C@@H]([NH2+][C@@H](C)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000037048238 260065817 /nfs/dbraw/zinc/06/58/17/260065817.db2.gz XTPZIIWAGNXXMB-KBXCAEBGSA-N 0 0 271.404 5.007 20 0 CKADRN CC[C@H]([NH2+][C@H](C)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000037048239 260065923 /nfs/dbraw/zinc/06/59/23/260065923.db2.gz XTPZIIWAGNXXMB-KDOFPFPSSA-N 0 0 271.404 5.007 20 0 CKADRN CC[C@@H]([NH2+][C@H](C)c1cc(C)oc1C)c1ccc(C)cc1 ZINC000037048240 260065701 /nfs/dbraw/zinc/06/57/01/260065701.db2.gz XTPZIIWAGNXXMB-RDTXWAMCSA-N 0 0 271.404 5.007 20 0 CKADRN C[C@H](Nc1ccc(SC2CCCC2)cc1)c1ccccn1 ZINC000037085880 333477151 /nfs/dbraw/zinc/47/71/51/333477151.db2.gz QYNGVGOKNFYLQP-AWEZNQCLSA-N 0 0 298.455 5.289 20 0 CKADRN C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1ccccn1 ZINC000037085881 333477180 /nfs/dbraw/zinc/47/71/80/333477180.db2.gz QYNGVGOKNFYLQP-CQSZACIVSA-N 0 0 298.455 5.289 20 0 CKADRN C[C@H](Nc1ccc(SC2CCCC2)cc1)c1cccnc1 ZINC000037085910 333477153 /nfs/dbraw/zinc/47/71/53/333477153.db2.gz CQKRBJNUNRMFCW-AWEZNQCLSA-N 0 0 298.455 5.289 20 0 CKADRN Cc1cc([C@H](C)N[C@@H](C)c2c(F)cccc2F)c(C)s1 ZINC000037122882 333487312 /nfs/dbraw/zinc/48/73/12/333487312.db2.gz UMPHQNHRDMGHEX-QWRGUYRKSA-N 0 0 295.398 5.055 20 0 CKADRN Oc1cccc(CNc2ccccc2SC2CCCC2)c1 ZINC000037123475 333487536 /nfs/dbraw/zinc/48/75/36/333487536.db2.gz RNZZRJIHTSVPKG-UHFFFAOYSA-N 0 0 299.439 5.039 20 0 CKADRN c1cc(-c2ccccc2)sc1CNc1ccccc1 ZINC000037186055 173017427 /nfs/dbraw/zinc/01/74/27/173017427.db2.gz CEBGOGWSKACNMS-UHFFFAOYSA-N 0 0 265.381 5.027 20 0 CKADRN Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc(F)cc1 ZINC000037210708 333514469 /nfs/dbraw/zinc/51/44/69/333514469.db2.gz NBCKTABGZMDBRD-SNVBAGLBSA-N 0 0 292.423 5.061 20 0 CKADRN Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccc(F)cc1 ZINC000037210709 333514408 /nfs/dbraw/zinc/51/44/08/333514408.db2.gz NBCKTABGZMDBRD-JTQLQIEISA-N 0 0 292.423 5.061 20 0 CKADRN COc1cccc(NCc2ccc(-c3ccccc3)s2)c1 ZINC000037215435 333515681 /nfs/dbraw/zinc/51/56/81/333515681.db2.gz MIYBEDYUHLJTGK-UHFFFAOYSA-N 0 0 295.407 5.036 20 0 CKADRN Clc1nc2ccccc2cc1CSc1cccs1 ZINC000037758404 173682931 /nfs/dbraw/zinc/68/29/31/173682931.db2.gz BXKYCBJNASUNOT-UHFFFAOYSA-N 0 0 291.828 5.242 20 0 CKADRN C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764408 333538096 /nfs/dbraw/zinc/53/80/96/333538096.db2.gz OUTFOGXAMPPZPX-QWRGUYRKSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764409 333538239 /nfs/dbraw/zinc/53/82/39/333538239.db2.gz OUTFOGXAMPPZPX-WDEREUQCSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccc(F)cc1Cl ZINC000037764410 333538063 /nfs/dbraw/zinc/53/80/63/333538063.db2.gz OUTFOGXAMPPZPX-MNOVXSKESA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccccc1F ZINC000037764411 333538073 /nfs/dbraw/zinc/53/80/73/333538073.db2.gz OUTFOGXAMPPZPX-GHMZBOCLSA-N 0 0 295.760 5.030 20 0 CKADRN Cc1ccccc1[C@@H](C)Nc1cccc(-c2nccs2)c1 ZINC000037778295 333539655 /nfs/dbraw/zinc/53/96/55/333539655.db2.gz OYSMUAOMOFIYTL-CQSZACIVSA-N 0 0 294.423 5.292 20 0 CKADRN Cc1ccccc1[C@H](C)Nc1cccc(-c2nccs2)c1 ZINC000037778296 333539709 /nfs/dbraw/zinc/53/97/09/333539709.db2.gz OYSMUAOMOFIYTL-AWEZNQCLSA-N 0 0 294.423 5.292 20 0 CKADRN C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccccc1F ZINC000037778308 333539650 /nfs/dbraw/zinc/53/96/50/333539650.db2.gz IRYIRRKDOPJJRF-GFCCVEGCSA-N 0 0 298.386 5.122 20 0 CKADRN C[C@H](Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1 ZINC000037778310 333539697 /nfs/dbraw/zinc/53/96/97/333539697.db2.gz ONEWYOZOOQZSJL-LBPRGKRZSA-N 0 0 298.386 5.122 20 0 CKADRN C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(F)cc1 ZINC000037778311 333539682 /nfs/dbraw/zinc/53/96/82/333539682.db2.gz ONEWYOZOOQZSJL-GFCCVEGCSA-N 0 0 298.386 5.122 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc(-c3nccs3)c2)c(C)o1 ZINC000037778440 333539687 /nfs/dbraw/zinc/53/96/87/333539687.db2.gz WTNRFWLXKFOLIL-GFCCVEGCSA-N 0 0 298.411 5.193 20 0 CKADRN CC(C)(C)c1ccc(NCc2nc3ccccc3s2)cc1 ZINC000037977646 173934097 /nfs/dbraw/zinc/93/40/97/173934097.db2.gz FKHBPRITYWSTFN-UHFFFAOYSA-N 0 0 296.439 5.206 20 0 CKADRN COc1cccc(NCc2cc(-c3ccccc3)cs2)c1 ZINC000038030728 174022326 /nfs/dbraw/zinc/02/23/26/174022326.db2.gz GZCZOYSKZIFJGA-UHFFFAOYSA-N 0 0 295.407 5.036 20 0 CKADRN COc1ccc(NCc2cc(-c3ccccc3)cs2)cc1 ZINC000038030729 174022295 /nfs/dbraw/zinc/02/22/95/174022295.db2.gz CRIPLBHFULPTRV-UHFFFAOYSA-N 0 0 295.407 5.036 20 0 CKADRN CCCCC1CCC(C(=O)Nc2c(C)cccc2C)CC1 ZINC000040037793 174184453 /nfs/dbraw/zinc/18/44/53/174184453.db2.gz QGPTVOBREADMFG-UHFFFAOYSA-N 0 0 287.447 5.239 20 0 CKADRN CC(C)c1ccc(NCc2cscn2)c(C(C)C)c1 ZINC000040504450 327914504 /nfs/dbraw/zinc/91/45/04/327914504.db2.gz XEERRHVHIFSPGI-UHFFFAOYSA-N 0 0 274.433 5.002 20 0 CKADRN CCCCSCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000041392934 328702456 /nfs/dbraw/zinc/70/24/56/328702456.db2.gz SEFLKSXOKUHFEQ-UHFFFAOYSA-N 0 0 281.808 5.028 20 0 CKADRN CC[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000041640162 328714564 /nfs/dbraw/zinc/71/45/64/328714564.db2.gz ARULPRHEWIUBEG-CRAIPNDOSA-N 0 0 297.423 5.171 20 0 CKADRN Cc1ccc([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)s1 ZINC000041640199 328714463 /nfs/dbraw/zinc/71/44/63/328714463.db2.gz KTROWGKVGHESGF-RDTXWAMCSA-N 0 0 297.423 5.090 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc3ccccc3n2)c(C)s1 ZINC000042373646 328767142 /nfs/dbraw/zinc/76/71/42/328767142.db2.gz XLASPZJCVHRXTA-GFCCVEGCSA-N 0 0 282.412 5.086 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc3ccccc3n2)c(C)s1 ZINC000042373647 328767205 /nfs/dbraw/zinc/76/72/05/328767205.db2.gz XLASPZJCVHRXTA-LBPRGKRZSA-N 0 0 282.412 5.086 20 0 CKADRN CC(C)c1ccccc1NC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000043230361 328776897 /nfs/dbraw/zinc/77/68/97/328776897.db2.gz HZQDZCNERMQYDV-HNNXBMFYSA-N 0 0 296.414 5.035 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1ccccc1 ZINC000043313632 175004189 /nfs/dbraw/zinc/00/41/89/175004189.db2.gz PBELKAHCKBWEQP-HNNXBMFYSA-N 0 0 296.414 5.001 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1ccccc1 ZINC000043313633 175004183 /nfs/dbraw/zinc/00/41/83/175004183.db2.gz PBELKAHCKBWEQP-OAHLLOKOSA-N 0 0 296.414 5.001 20 0 CKADRN Cc1cc([C@@H](C)NCc2ccc(Cl)cc2Cl)c(C)o1 ZINC000044729304 330331252 /nfs/dbraw/zinc/33/12/52/330331252.db2.gz BSNBIVHTHUCQSY-SNVBAGLBSA-N 0 0 298.213 5.054 20 0 CKADRN Cc1cc([C@H](C)NCc2ccc(Cl)cc2Cl)c(C)o1 ZINC000044729305 330331267 /nfs/dbraw/zinc/33/12/67/330331267.db2.gz BSNBIVHTHUCQSY-JTQLQIEISA-N 0 0 298.213 5.054 20 0 CKADRN Cc1cc([C@@H](C)NCc2cccc(Cl)c2Cl)c(C)o1 ZINC000044729492 330331168 /nfs/dbraw/zinc/33/11/68/330331168.db2.gz NXACBSDNYSWKKI-SNVBAGLBSA-N 0 0 298.213 5.054 20 0 CKADRN Cc1cc([C@H](C)NCc2cccc(Cl)c2Cl)c(C)o1 ZINC000044729493 330331177 /nfs/dbraw/zinc/33/11/77/330331177.db2.gz NXACBSDNYSWKKI-JTQLQIEISA-N 0 0 298.213 5.054 20 0 CKADRN CC(C)c1ccc(NC(=O)c2ccccc2)c(C(C)C)c1 ZINC000046696448 330354886 /nfs/dbraw/zinc/35/48/86/330354886.db2.gz DTXGDSHFVBJNBZ-UHFFFAOYSA-N 0 0 281.399 5.186 20 0 CKADRN CSc1cccc(NCc2csc3ccccc23)c1 ZINC000048330161 328052276 /nfs/dbraw/zinc/05/22/76/328052276.db2.gz XJVMQFSUOKZMHF-UHFFFAOYSA-N 0 0 285.437 5.235 20 0 CKADRN Cc1ccc(NC(=O)c2sccc2C(C)C)cc1Cl ZINC000048876879 328324236 /nfs/dbraw/zinc/32/42/36/328324236.db2.gz NKZHQEIAGRGYCG-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN Cc1ccc(NC(=O)c2sccc2C(C)C)c(Cl)c1 ZINC000048877024 328324172 /nfs/dbraw/zinc/32/41/72/328324172.db2.gz DICIZBHKMIKDHJ-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN CC(C)c1ccsc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000048877040 328324102 /nfs/dbraw/zinc/32/41/02/328324102.db2.gz WSANSNMAUQSBSK-UHFFFAOYSA-N 0 0 287.428 5.247 20 0 CKADRN CC(C)c1ccsc1C(=O)Nc1cccc(C(C)C)c1 ZINC000048877697 328324278 /nfs/dbraw/zinc/32/42/78/328324278.db2.gz ZNLMWXBWDWULFN-UHFFFAOYSA-N 0 0 287.428 5.247 20 0 CKADRN CC(C)c1cccc(NC(=O)Nc2ccccc2Cl)c1 ZINC000048908604 328324824 /nfs/dbraw/zinc/32/48/24/328324824.db2.gz GKTQWTMLSGWIAW-UHFFFAOYSA-N 0 0 288.778 5.107 20 0 CKADRN CC(C)c1ccc(NC(=O)c2sccc2C2CC2)cc1 ZINC000049375730 328356555 /nfs/dbraw/zinc/35/65/55/328356555.db2.gz YFYUTUIFJKEEAY-UHFFFAOYSA-N 0 0 285.412 5.001 20 0 CKADRN C[C@H](Nc1cccc2ccccc21)c1ccsc1 ZINC000050337476 328397398 /nfs/dbraw/zinc/39/73/98/328397398.db2.gz QISFOWBNSOVKIT-LBPRGKRZSA-N 0 0 253.370 5.074 20 0 CKADRN C[C@@H](Nc1cccc2ccccc21)c1ccsc1 ZINC000050337479 328397475 /nfs/dbraw/zinc/39/74/75/328397475.db2.gz QISFOWBNSOVKIT-GFCCVEGCSA-N 0 0 253.370 5.074 20 0 CKADRN C[C@@H](Nc1cc(Cl)cc2cccnc21)c1ccsc1 ZINC000050340580 525696955 /nfs/dbraw/zinc/69/69/55/525696955.db2.gz FDVHDDQFFRRLNU-SNVBAGLBSA-N 0 0 288.803 5.123 20 0 CKADRN C[C@H](Nc1cccc(-c2nccs2)c1)c1ccsc1 ZINC000050343917 328397721 /nfs/dbraw/zinc/39/77/21/328397721.db2.gz MSQAINMFGZYKRC-NSHDSACASA-N 0 0 286.425 5.045 20 0 CKADRN C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccsc1 ZINC000050343919 328397718 /nfs/dbraw/zinc/39/77/18/328397718.db2.gz MSQAINMFGZYKRC-LLVKDONJSA-N 0 0 286.425 5.045 20 0 CKADRN CC(C)c1ccc(NCc2cncs2)c(C(C)C)c1 ZINC000054770780 330228150 /nfs/dbraw/zinc/22/81/50/330228150.db2.gz FUTMIPKCRDWISG-UHFFFAOYSA-N 0 0 274.433 5.002 20 0 CKADRN Cc1ccccc1SCc1cc(-c2cccs2)on1 ZINC000059929331 330406880 /nfs/dbraw/zinc/40/68/80/330406880.db2.gz FJEKFXPGWFPHNY-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN Cc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1 ZINC000059929396 330406916 /nfs/dbraw/zinc/40/69/16/330406916.db2.gz RUCLRMRXTPRVSA-UHFFFAOYSA-N 0 0 299.370 5.081 20 0 CKADRN COc1ccccc1SCc1ccc(C(F)(F)F)cc1 ZINC000060133440 330408655 /nfs/dbraw/zinc/40/86/55/330408655.db2.gz 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CKADRN Cc1nnc([C@@H](C)S[C@H](C)c2ccc3ccccc3c2)o1 ZINC000125325396 329581132 /nfs/dbraw/zinc/58/11/32/329581132.db2.gz SJTNONSYXHWRBN-VXGBXAGGSA-N 0 0 298.411 5.087 20 0 CKADRN Cc1nnc([C@H](C)S[C@H](C)c2ccc3ccccc3c2)o1 ZINC000125325589 329581093 /nfs/dbraw/zinc/58/10/93/329581093.db2.gz SJTNONSYXHWRBN-NEPJUHHUSA-N 0 0 298.411 5.087 20 0 CKADRN COCc1cccc(N[C@@H](C)c2cc3ccccc3s2)c1 ZINC000126439017 333597292 /nfs/dbraw/zinc/59/72/92/333597292.db2.gz IFFDGHRTQCBMAU-ZDUSSCGKSA-N 0 0 297.423 5.221 20 0 CKADRN COCc1cccc(N[C@H](C)c2cc3ccccc3s2)c1 ZINC000126439257 333597337 /nfs/dbraw/zinc/59/73/37/333597337.db2.gz IFFDGHRTQCBMAU-CYBMUJFWSA-N 0 0 297.423 5.221 20 0 CKADRN CSCCCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000127783748 327411798 /nfs/dbraw/zinc/41/17/98/327411798.db2.gz UZWVXFYTVZLSLQ-UHFFFAOYSA-N 0 0 293.476 5.015 20 0 CKADRN CCOCc1cccc(N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000130197420 327439638 /nfs/dbraw/zinc/43/96/38/327439638.db2.gz WRBVGWLWHNFDIM-NSHDSACASA-N 0 0 295.835 5.111 20 0 CKADRN 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CCc1ccc([C@@H](C)Nc2cccc3ccncc32)s1 ZINC000131446847 333940584 /nfs/dbraw/zinc/94/05/84/333940584.db2.gz SLAXDTZPHJOKJV-GFCCVEGCSA-N 0 0 282.412 5.032 20 0 CKADRN Cc1ccncc1CNc1ccc(SC2CCCC2)cc1 ZINC000135445575 334130069 /nfs/dbraw/zinc/13/00/69/334130069.db2.gz BVWIMOXUXSKNOH-UHFFFAOYSA-N 0 0 298.455 5.037 20 0 CKADRN Cc1ccncc1CNc1ccccc1SC1CCCC1 ZINC000135447876 334129981 /nfs/dbraw/zinc/12/99/81/334129981.db2.gz HYUYYBBXRLVIAE-UHFFFAOYSA-N 0 0 298.455 5.037 20 0 CKADRN Cc1cscc1NC(=O)c1sccc1-c1ccccc1 ZINC000151245828 327460569 /nfs/dbraw/zinc/46/05/69/327460569.db2.gz ODJHPXCFDAVVCB-UHFFFAOYSA-N 0 0 299.420 5.037 20 0 CKADRN Cc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)oc1C ZINC000154525890 334696801 /nfs/dbraw/zinc/69/68/01/334696801.db2.gz QVIZIESJQBNFGZ-UHFFFAOYSA-N 0 0 299.414 5.396 20 0 CKADRN CC(C)Oc1ccccc1N[C@@H](C)CCCC(F)(F)F ZINC000163329247 331021470 /nfs/dbraw/zinc/02/14/70/331021470.db2.gz HLSHYUNTRQHEDN-LBPRGKRZSA-N 0 0 289.341 5.007 20 0 CKADRN CC(C)Oc1ccccc1N[C@H](C)CCCC(F)(F)F ZINC000163329343 331021439 /nfs/dbraw/zinc/02/14/39/331021439.db2.gz HLSHYUNTRQHEDN-GFCCVEGCSA-N 0 0 289.341 5.007 20 0 CKADRN CCCCCc1ccc(N[C@H](C)c2cscn2)cc1 ZINC000164992503 334891176 /nfs/dbraw/zinc/89/11/76/334891176.db2.gz LFFWDAFUZLVKNY-CYBMUJFWSA-N 0 0 274.433 5.049 20 0 CKADRN C[C@H](Nc1cccc(Oc2ccccc2)c1)c1cscn1 ZINC000165767821 334902661 /nfs/dbraw/zinc/90/26/61/334902661.db2.gz FOBLINMQVHEFJV-ZDUSSCGKSA-N 0 0 296.395 5.109 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1cc(F)ccc1F ZINC000171119445 335055604 /nfs/dbraw/zinc/05/56/04/335055604.db2.gz KNONJQWTLTUTBD-VIFPVBQESA-N 0 0 283.268 5.076 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1cc(F)ccc1F ZINC000171119448 335055676 /nfs/dbraw/zinc/05/56/76/335055676.db2.gz KNONJQWTLTUTBD-SECBINFHSA-N 0 0 283.268 5.076 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccc(F)cc1F ZINC000171119465 326876164 /nfs/dbraw/zinc/87/61/64/326876164.db2.gz AOWKAAQVFLDHDU-VIFPVBQESA-N 0 0 283.268 5.076 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(F)cc1F ZINC000171119469 518178550 /nfs/dbraw/zinc/17/85/50/518178550.db2.gz AOWKAAQVFLDHDU-SECBINFHSA-N 0 0 283.268 5.076 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)C ZINC000171881261 335083498 /nfs/dbraw/zinc/08/34/98/335083498.db2.gz QHHAJFCWVWAUDM-AWEZNQCLSA-N 0 0 275.436 5.164 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)C ZINC000171881263 335083508 /nfs/dbraw/zinc/08/35/08/335083508.db2.gz QHHAJFCWVWAUDM-CQSZACIVSA-N 0 0 275.436 5.164 20 0 CKADRN Cc1cnc(CSC(c2ccccc2)c2ccccc2)o1 ZINC000173021236 335125847 /nfs/dbraw/zinc/12/58/47/335125847.db2.gz RJRLARQZBYJDLF-UHFFFAOYSA-N 0 0 295.407 5.006 20 0 CKADRN C[C@H](Nc1cccc(Oc2ccccn2)c1)c1ccccc1 ZINC000174353335 327642760 /nfs/dbraw/zinc/64/27/60/327642760.db2.gz IINUBXBWEANTFT-HNNXBMFYSA-N 0 0 290.366 5.047 20 0 CKADRN Cc1cc(C)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)o1 ZINC000175222024 333017755 /nfs/dbraw/zinc/01/77/55/333017755.db2.gz DMSDYLOTDWBBBM-UHFFFAOYSA-N 0 0 299.414 5.396 20 0 CKADRN CCCCCN(C(=O)Nc1cccc(C(F)F)c1)C(C)C ZINC000175909578 261252525 /nfs/dbraw/zinc/25/25/25/261252525.db2.gz OETSDERDYJYDHW-UHFFFAOYSA-N 0 0 298.377 5.057 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)CCc1ccoc1 ZINC000177039959 261326019 /nfs/dbraw/zinc/32/60/19/261326019.db2.gz DDOCKLLLWIKBJM-UHFFFAOYSA-N 0 0 299.414 5.098 20 0 CKADRN C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1cccs1 ZINC000179600273 335502344 /nfs/dbraw/zinc/50/23/44/335502344.db2.gz CRFMRPGYHSARRD-SNVBAGLBSA-N 0 0 285.334 5.026 20 0 CKADRN C[C@@H](Nc1ccc(CCC(F)(F)F)cc1)c1cccs1 ZINC000179605878 335503584 /nfs/dbraw/zinc/50/35/84/335503584.db2.gz ZAHOXVGQVCHQMU-LLVKDONJSA-N 0 0 299.361 5.416 20 0 CKADRN Cc1nc(-c2cccc(N[C@@H](C)c3ccccc3)c2)oc1C ZINC000179614633 335504155 /nfs/dbraw/zinc/50/41/55/335504155.db2.gz BDBOMKODYFOJKU-AWEZNQCLSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1nc(-c2cccc(N[C@H](C)c3ccccc3)c2)oc1C ZINC000179614646 335504178 /nfs/dbraw/zinc/50/41/78/335504178.db2.gz BDBOMKODYFOJKU-CQSZACIVSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1nc(-c2cccc(N[C@H](C)c3cccs3)c2)oc1C ZINC000179614715 335504147 /nfs/dbraw/zinc/50/41/47/335504147.db2.gz YGQFDLQCFVSFSY-GFCCVEGCSA-N 0 0 298.411 5.193 20 0 CKADRN CCSc1ccc(Cl)cc1N[C@@H](C)c1nccs1 ZINC000179817278 335522267 /nfs/dbraw/zinc/52/22/67/335522267.db2.gz QFARSMOROVMSIE-VIFPVBQESA-N 0 0 298.864 5.082 20 0 CKADRN Cc1ccc([C@H](C)Nc2ccc(C)c(-c3ncco3)c2)s1 ZINC000180007024 335540572 /nfs/dbraw/zinc/54/05/72/335540572.db2.gz XCGWRPCJPIZPGK-ZDUSSCGKSA-N 0 0 298.411 5.193 20 0 CKADRN Cc1ccsc1[C@H](C)Nc1ccc(C)c(-c2ncco2)c1 ZINC000180008283 335540667 /nfs/dbraw/zinc/54/06/67/335540667.db2.gz CBUFBRIOPJYIBU-ZDUSSCGKSA-N 0 0 298.411 5.193 20 0 CKADRN Cc1nnc([C@@H](C)S[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000182068270 335796982 /nfs/dbraw/zinc/79/69/82/335796982.db2.gz LOYKMJWEPFAUNX-VXGBXAGGSA-N 0 0 290.432 5.057 20 0 CKADRN Cc1nnc([C@H](C)S[C@H](C)c2ccc(C(C)C)cc2)o1 ZINC000182068287 335797096 /nfs/dbraw/zinc/79/70/96/335797096.db2.gz LOYKMJWEPFAUNX-NEPJUHHUSA-N 0 0 290.432 5.057 20 0 CKADRN C[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccsc1 ZINC000182265502 335806947 /nfs/dbraw/zinc/80/69/47/335806947.db2.gz ZRJLOLSSQNONFU-JTQLQIEISA-N 0 0 285.334 5.026 20 0 CKADRN C[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccsc1 ZINC000182265520 335806940 /nfs/dbraw/zinc/80/69/40/335806940.db2.gz ZRJLOLSSQNONFU-SNVBAGLBSA-N 0 0 285.334 5.026 20 0 CKADRN CSc1cccc(N[C@@H](CC(C)C)c2ccccn2)c1 ZINC000182685181 335836785 /nfs/dbraw/zinc/83/67/85/335836785.db2.gz QGNDMOIENGBOAL-KRWDZBQOSA-N 0 0 286.444 5.003 20 0 CKADRN CSc1cccc(N[C@@H](C)c2ccc3ccccc3n2)c1 ZINC000182689036 335837009 /nfs/dbraw/zinc/83/70/09/335837009.db2.gz WCYKKJZFAKVXCU-ZDUSSCGKSA-N 0 0 294.423 5.130 20 0 CKADRN CSc1cccc(N[C@H](C)c2ccc3ccccc3n2)c1 ZINC000182689054 335836953 /nfs/dbraw/zinc/83/69/53/335836953.db2.gz WCYKKJZFAKVXCU-CYBMUJFWSA-N 0 0 294.423 5.130 20 0 CKADRN C[C@H](Nc1cccc(-c2cccs2)c1)c1nccs1 ZINC000182759580 335840754 /nfs/dbraw/zinc/84/07/54/335840754.db2.gz CNXGVCIVADJFKV-NSHDSACASA-N 0 0 286.425 5.045 20 0 CKADRN CSc1ccc(N[C@@H](CC(C)C)c2ccccn2)cc1 ZINC000182813365 335844620 /nfs/dbraw/zinc/84/46/20/335844620.db2.gz AQQPEPNPWPMJOD-KRWDZBQOSA-N 0 0 286.444 5.003 20 0 CKADRN CSc1ccc(N[C@H](C)c2ccc3ccccc3n2)cc1 ZINC000182815999 335844872 /nfs/dbraw/zinc/84/48/72/335844872.db2.gz UNIDIKZDDMKVHO-CYBMUJFWSA-N 0 0 294.423 5.130 20 0 CKADRN Cc1ccc([C@H](C)Nc2cccc(-c3nc(C)c(C)o3)c2)o1 ZINC000183019839 335856458 /nfs/dbraw/zinc/85/64/58/335856458.db2.gz CJDGUDVOLKVBBD-ZDUSSCGKSA-N 0 0 296.370 5.033 20 0 CKADRN CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1cccs1 ZINC000183093748 335862129 /nfs/dbraw/zinc/86/21/29/335862129.db2.gz GNODZGOLYWGYJV-DOMZBBRYSA-N 0 0 275.417 5.019 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000183104217 335863369 /nfs/dbraw/zinc/86/33/69/335863369.db2.gz BHMLYAKHZLLALT-GUYCJALGSA-N 0 0 299.439 5.043 20 0 CKADRN Cc1oc2ccccc2c1C(=O)Nc1ccccc1C(C)C ZINC000184876758 333132843 /nfs/dbraw/zinc/13/28/43/333132843.db2.gz NINVRWODQCONHL-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN C[C@H](S[C@@H](C)c1cnccn1)c1ccc2ccccc2c1 ZINC000185547498 333143485 /nfs/dbraw/zinc/14/34/85/333143485.db2.gz HWWQXKFTNALGAD-KBPBESRZSA-N 0 0 294.423 5.185 20 0 CKADRN C[C@@H](S[C@@H](C)c1cnccn1)c1ccc2ccccc2c1 ZINC000185547520 333143409 /nfs/dbraw/zinc/14/34/09/333143409.db2.gz HWWQXKFTNALGAD-KGLIPLIRSA-N 0 0 294.423 5.185 20 0 CKADRN C[C@@H](S[C@@H](C)c1ccc2ccccc2c1)c1cnccn1 ZINC000185547538 333143336 /nfs/dbraw/zinc/14/33/36/333143336.db2.gz HWWQXKFTNALGAD-UONOGXRCSA-N 0 0 294.423 5.185 20 0 CKADRN C[C@@H](S[C@H](C)c1cnccn1)c1ccc2ccccc2c1 ZINC000185547556 333143482 /nfs/dbraw/zinc/14/34/82/333143482.db2.gz HWWQXKFTNALGAD-ZIAGYGMSSA-N 0 0 294.423 5.185 20 0 CKADRN FC(F)c1ccc(CNc2cccc(C(F)F)c2)cc1 ZINC000185619898 262306348 /nfs/dbraw/zinc/30/63/48/262306348.db2.gz XFGKTAVRLWPSKO-UHFFFAOYSA-N 0 0 283.268 5.174 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)C)s1 ZINC000186078961 327681044 /nfs/dbraw/zinc/68/10/44/327681044.db2.gz YIDZGOFPXRWELW-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN CSc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1 ZINC000186446453 262094238 /nfs/dbraw/zinc/09/42/38/262094238.db2.gz DTCMUWUFZLOBAK-LLVKDONJSA-N 0 0 292.473 5.162 20 0 CKADRN CSc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1 ZINC000186446464 333161134 /nfs/dbraw/zinc/16/11/34/333161134.db2.gz DTCMUWUFZLOBAK-NSHDSACASA-N 0 0 292.473 5.162 20 0 CKADRN CSc1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1 ZINC000186448159 333161219 /nfs/dbraw/zinc/16/12/19/333161219.db2.gz ZAXYWRKZAAGNOD-LLVKDONJSA-N 0 0 292.473 5.162 20 0 CKADRN CSc1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000186448171 333161212 /nfs/dbraw/zinc/16/12/12/333161212.db2.gz ZAXYWRKZAAGNOD-NSHDSACASA-N 0 0 292.473 5.162 20 0 CKADRN FC(F)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000188411635 263800088 /nfs/dbraw/zinc/80/00/88/263800088.db2.gz HYYKQYGYLZFEPR-JQWIXIFHSA-N 0 0 293.279 5.157 20 0 CKADRN FC(F)c1cccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000188411682 263800285 /nfs/dbraw/zinc/80/02/85/263800285.db2.gz HYYKQYGYLZFEPR-PWSUYJOCSA-N 0 0 293.279 5.157 20 0 CKADRN Cc1ccc2cc(CNc3cccc(C(F)F)c3)ccc2n1 ZINC000189394647 264299075 /nfs/dbraw/zinc/29/90/75/264299075.db2.gz SZXMXWWPCXFABB-UHFFFAOYSA-N 0 0 298.336 5.093 20 0 CKADRN CCCCN(C)C(=O)Nc1c(CCC)cccc1C(C)C ZINC000189957492 333201165 /nfs/dbraw/zinc/20/11/65/333201165.db2.gz ZQOQBPBXLHRSCN-UHFFFAOYSA-N 0 0 290.451 5.026 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H](C)CC ZINC000189972296 333201194 /nfs/dbraw/zinc/20/11/94/333201194.db2.gz LFROGEWKEWMFLM-AWEZNQCLSA-N 0 0 290.451 5.025 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)N(C)[C@H](C)CC ZINC000189972312 333201223 /nfs/dbraw/zinc/20/12/23/333201223.db2.gz LFROGEWKEWMFLM-CQSZACIVSA-N 0 0 290.451 5.025 20 0 CKADRN Cc1c([C@@H](C)Nc2ccc(C(C)C)cc2)cnn1C(C)C ZINC000191419672 333219500 /nfs/dbraw/zinc/21/95/00/333219500.db2.gz XFFGYPUVAMVGJZ-CQSZACIVSA-N 0 0 285.435 5.069 20 0 CKADRN Cc1c([C@H](C)Nc2ccc(C(C)C)cc2)cnn1C(C)C ZINC000191419683 333219508 /nfs/dbraw/zinc/21/95/08/333219508.db2.gz XFFGYPUVAMVGJZ-AWEZNQCLSA-N 0 0 285.435 5.069 20 0 CKADRN Cc1c([C@@H](C)Nc2cccc(C(C)C)c2)cnn1C(C)C ZINC000191420800 333219463 /nfs/dbraw/zinc/21/94/63/333219463.db2.gz ABTPXABTCAETLK-CQSZACIVSA-N 0 0 285.435 5.069 20 0 CKADRN Cc1c([C@H](C)Nc2cccc(C(C)C)c2)cnn1C(C)C ZINC000191420814 333219455 /nfs/dbraw/zinc/21/94/55/333219455.db2.gz ABTPXABTCAETLK-AWEZNQCLSA-N 0 0 285.435 5.069 20 0 CKADRN CCOCc1cccc(N[C@@H](C)c2csc(Cl)c2)c1 ZINC000191448473 333220012 /nfs/dbraw/zinc/22/00/12/333220012.db2.gz QQMXEYOFDCCUDW-NSHDSACASA-N 0 0 295.835 5.111 20 0 CKADRN CCOCc1cccc(N[C@H](C)c2csc(Cl)c2)c1 ZINC000191448491 260627571 /nfs/dbraw/zinc/62/75/71/260627571.db2.gz QQMXEYOFDCCUDW-LLVKDONJSA-N 0 0 295.835 5.111 20 0 CKADRN Cc1c([C@@H](C)Nc2cccc3ccccc32)cnn1C(C)C ZINC000191466442 333220175 /nfs/dbraw/zinc/22/01/75/333220175.db2.gz ACXCUAQZXOCQSQ-CQSZACIVSA-N 0 0 293.414 5.099 20 0 CKADRN Cc1c([C@H](C)Nc2cccc3ccccc32)cnn1C(C)C ZINC000191466457 333220110 /nfs/dbraw/zinc/22/01/10/333220110.db2.gz ACXCUAQZXOCQSQ-AWEZNQCLSA-N 0 0 293.414 5.099 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](C)c2csc(Cl)c2)c1 ZINC000191475841 333220413 /nfs/dbraw/zinc/22/04/13/333220413.db2.gz PUDOMSNVKISNJQ-WDEREUQCSA-N 0 0 295.835 5.282 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H](C)c2csc(Cl)c2)c1 ZINC000191475855 333220458 /nfs/dbraw/zinc/22/04/58/333220458.db2.gz PUDOMSNVKISNJQ-MNOVXSKESA-N 0 0 295.835 5.282 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H](C)c2csc(Cl)c2)c1 ZINC000191475870 333220378 /nfs/dbraw/zinc/22/03/78/333220378.db2.gz PUDOMSNVKISNJQ-GHMZBOCLSA-N 0 0 295.835 5.282 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1ccccc1F ZINC000191531325 521425096 /nfs/dbraw/zinc/42/50/96/521425096.db2.gz OEGLBPMVSYVNJR-UHFFFAOYSA-N 0 0 299.389 5.154 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(C)cc1 ZINC000191536572 333221192 /nfs/dbraw/zinc/22/11/92/333221192.db2.gz LRJAIGWLGFKOBW-UHFFFAOYSA-N 0 0 295.426 5.323 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CC(C)(C)C ZINC000191536655 333221197 /nfs/dbraw/zinc/22/11/97/333221197.db2.gz UTAGIUACNBKBPJ-UHFFFAOYSA-N 0 0 275.436 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1oc(C)cc1C ZINC000191539715 521427794 /nfs/dbraw/zinc/42/77/94/521427794.db2.gz NRZIGCYSWWSQGB-UHFFFAOYSA-N 0 0 299.414 5.225 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C1CCCCC1 ZINC000191541334 333220996 /nfs/dbraw/zinc/22/09/96/333220996.db2.gz JXINMPLIQXUCII-UHFFFAOYSA-N 0 0 287.447 5.281 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1ccc(F)cc1 ZINC000191545694 333221041 /nfs/dbraw/zinc/22/10/41/333221041.db2.gz FAWBVUOJBBXBEO-UHFFFAOYSA-N 0 0 299.389 5.154 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CC1CCCC1 ZINC000191545808 333221159 /nfs/dbraw/zinc/22/11/59/333221159.db2.gz IUQLKGZXJBHWMW-UHFFFAOYSA-N 0 0 287.447 5.281 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC=CCC1 ZINC000191551412 521424855 /nfs/dbraw/zinc/42/48/55/521424855.db2.gz FQMKQLSGMRHRQR-INIZCTEOSA-N 0 0 285.431 5.057 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1cccc(C)c1 ZINC000191551611 333221177 /nfs/dbraw/zinc/22/11/77/333221177.db2.gz AXTSRFLJJVWGEB-UHFFFAOYSA-N 0 0 295.426 5.323 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCC1 ZINC000191551914 333221171 /nfs/dbraw/zinc/22/11/71/333221171.db2.gz UWFATXCYYYIGMD-HNNXBMFYSA-N 0 0 285.431 5.057 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1C=CCC1 ZINC000191551930 333221194 /nfs/dbraw/zinc/22/11/94/333221194.db2.gz UWFATXCYYYIGMD-OAHLLOKOSA-N 0 0 285.431 5.057 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CCC(C)C ZINC000191552128 333221381 /nfs/dbraw/zinc/22/13/81/333221381.db2.gz UWYPOWBNRFVWEC-UHFFFAOYSA-N 0 0 275.436 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CCC1CCC1 ZINC000191558742 333221413 /nfs/dbraw/zinc/22/14/13/333221413.db2.gz ZOSRNGBUPNVCJK-UHFFFAOYSA-N 0 0 287.447 5.281 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1ccccc1C ZINC000191559835 333221387 /nfs/dbraw/zinc/22/13/87/333221387.db2.gz NNQOARGSUHWSNZ-UHFFFAOYSA-N 0 0 295.426 5.323 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)c1cccc(F)c1 ZINC000191559859 333221403 /nfs/dbraw/zinc/22/14/03/333221403.db2.gz QFOMVVBWXKBWRV-UHFFFAOYSA-N 0 0 299.389 5.154 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCC ZINC000191560115 333221350 /nfs/dbraw/zinc/22/13/50/333221350.db2.gz MBZRKBITTOJDLK-AWEZNQCLSA-N 0 0 275.436 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)CCC ZINC000191560130 333221400 /nfs/dbraw/zinc/22/14/00/333221400.db2.gz MBZRKBITTOJDLK-CQSZACIVSA-N 0 0 275.436 5.137 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)c1csc(Cl)c1 ZINC000191796185 333225460 /nfs/dbraw/zinc/22/54/60/333225460.db2.gz OFNYYQKZQMMEPS-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN C[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000194020743 329064937 /nfs/dbraw/zinc/06/49/37/329064937.db2.gz LOAVDCWETLWTKV-HNNXBMFYSA-N 0 0 290.366 5.047 20 0 CKADRN C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccncc1 ZINC000194020757 329064735 /nfs/dbraw/zinc/06/47/35/329064735.db2.gz LOAVDCWETLWTKV-OAHLLOKOSA-N 0 0 290.366 5.047 20 0 CKADRN C[C@H](Nc1cccc(Oc2ccccc2)c1)c1cccnc1 ZINC000194020770 329064917 /nfs/dbraw/zinc/06/49/17/329064917.db2.gz QFHHJIFSQOCZAB-HNNXBMFYSA-N 0 0 290.366 5.047 20 0 CKADRN C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1cccnc1 ZINC000194020784 329064854 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/nfs/dbraw/zinc/25/83/45/333258345.db2.gz HACAEJPJDOQFNU-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN C[C@@H](Nc1ccc2ncsc2c1)c1ccccc1Cl ZINC000226367347 333258313 /nfs/dbraw/zinc/25/83/13/333258313.db2.gz GKHOSICKMKYWRR-SNVBAGLBSA-N 0 0 288.803 5.123 20 0 CKADRN C[C@H](Nc1ccc2ncsc2c1)c1ccccc1Cl ZINC000226367355 262747271 /nfs/dbraw/zinc/74/72/71/262747271.db2.gz GKHOSICKMKYWRR-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN Cc1ccccc1C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000227530361 333284958 /nfs/dbraw/zinc/28/49/58/333284958.db2.gz CIPAKIDEMAPPPE-LBPRGKRZSA-N 0 0 294.225 5.153 20 0 CKADRN Cc1ccccc1C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000227530364 333285125 /nfs/dbraw/zinc/28/51/25/333285125.db2.gz CIPAKIDEMAPPPE-GFCCVEGCSA-N 0 0 294.225 5.153 20 0 CKADRN CSc1cccc(N[C@@H](C)c2csc(Cl)c2)c1 ZINC000230411384 333318322 /nfs/dbraw/zinc/31/83/22/333318322.db2.gz JJBIBFYRIIHMRS-VIFPVBQESA-N 0 0 283.849 5.297 20 0 CKADRN CSc1cccc(N[C@H](C)c2csc(Cl)c2)c1 ZINC000230411388 333318314 /nfs/dbraw/zinc/31/83/14/333318314.db2.gz JJBIBFYRIIHMRS-SECBINFHSA-N 0 0 283.849 5.297 20 0 CKADRN CSc1ccc(N[C@@H](C)c2csc(Cl)c2)cc1 ZINC000230411493 333318360 /nfs/dbraw/zinc/31/83/60/333318360.db2.gz PMNATNZFCXLYKA-VIFPVBQESA-N 0 0 283.849 5.297 20 0 CKADRN C[C@H](Nc1cccc2ccncc21)c1csc(Cl)c1 ZINC000230412879 333822702 /nfs/dbraw/zinc/82/27/02/333822702.db2.gz SNXQYSBFPLBYKX-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN C[C@@H](N[C@@H](C)c1cccc(F)c1F)c1ccccc1Cl ZINC000231635044 333326471 /nfs/dbraw/zinc/32/64/71/333326471.db2.gz JIGUCULWTDHXBA-MNOVXSKESA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@H](C)c1cccc(F)c1F)c1ccccc1Cl ZINC000231635048 333326480 /nfs/dbraw/zinc/32/64/80/333326480.db2.gz JIGUCULWTDHXBA-GHMZBOCLSA-N 0 0 295.760 5.030 20 0 CKADRN CC(C)C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000236650023 333374278 /nfs/dbraw/zinc/37/42/78/333374278.db2.gz GVVPXIOMPMPABJ-IBGZPJMESA-N 0 0 292.426 5.045 20 0 CKADRN CC(C)(C)[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000236656854 333374396 /nfs/dbraw/zinc/37/43/96/333374396.db2.gz ILTTUWZRITVJCE-IBGZPJMESA-N 0 0 292.426 5.045 20 0 CKADRN CC(C)(C)[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccc1 ZINC000236718369 333374986 /nfs/dbraw/zinc/37/49/86/333374986.db2.gz ILTTUWZRITVJCE-LJQANCHMSA-N 0 0 292.426 5.045 20 0 CKADRN CC(C)c1ccc(CNc2ccc(-c3cnco3)cc2)cc1 ZINC000236729745 333374807 /nfs/dbraw/zinc/37/48/07/333374807.db2.gz IASPDDZMPHCDBF-UHFFFAOYSA-N 0 0 292.382 5.077 20 0 CKADRN C[C@@H](Nc1cccc(Oc2ccccc2)c1)c1ccccn1 ZINC000237377882 333379290 /nfs/dbraw/zinc/37/92/90/333379290.db2.gz RXOCCBCQAQJDGN-OAHLLOKOSA-N 0 0 290.366 5.047 20 0 CKADRN C[C@H](Nc1cccc(Oc2ccccc2)c1)c1ccccn1 ZINC000237541826 333380030 /nfs/dbraw/zinc/38/00/30/333380030.db2.gz RXOCCBCQAQJDGN-HNNXBMFYSA-N 0 0 290.366 5.047 20 0 CKADRN Cc1cc(C)cc(NC(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000242553599 333424989 /nfs/dbraw/zinc/42/49/89/333424989.db2.gz CCJREJBYHGLGBM-UHFFFAOYSA-N 0 0 296.414 5.379 20 0 CKADRN Cc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)c(C)c1 ZINC000243391622 333425978 /nfs/dbraw/zinc/42/59/78/333425978.db2.gz MMPZPZWTLZUQSC-UHFFFAOYSA-N 0 0 282.387 5.071 20 0 CKADRN CCc1cccc(CC)c1NC(=O)Nc1cc(C)cc(C)c1 ZINC000243418506 333425903 /nfs/dbraw/zinc/42/59/03/333425903.db2.gz MSGQXNLDONXPHL-UHFFFAOYSA-N 0 0 296.414 5.072 20 0 CKADRN CCc1ccc(NC(=O)Nc2c(CC)cccc2CC)cc1 ZINC000243560758 333426136 /nfs/dbraw/zinc/42/61/36/333426136.db2.gz OLVRZEJSRUUBOV-UHFFFAOYSA-N 0 0 296.414 5.018 20 0 CKADRN CCc1cccc(CC)c1NC(=O)Nc1cccc(C)c1C ZINC000243758103 333426440 /nfs/dbraw/zinc/42/64/40/333426440.db2.gz QADZKKHNWKZYON-UHFFFAOYSA-N 0 0 296.414 5.072 20 0 CKADRN CCc1ccc(NC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000244157981 333427046 /nfs/dbraw/zinc/42/70/46/333427046.db2.gz UXASUCPZDXPJEQ-UHFFFAOYSA-N 0 0 296.414 5.325 20 0 CKADRN Cc1ccc(C)c(NC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000244204709 333427074 /nfs/dbraw/zinc/42/70/74/333427074.db2.gz VQTAARSBVVEOTA-UHFFFAOYSA-N 0 0 282.387 5.071 20 0 CKADRN Cc1ccc(C)c(NC(=O)Nc2ccccc2C(C)(C)C)c1 ZINC000244279664 333427145 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293.410 5.118 20 0 CKADRN C[C@H]1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000303850718 328362859 /nfs/dbraw/zinc/36/28/59/328362859.db2.gz KBGKASOGBPHZFR-RDJZCZTQSA-N 0 0 293.410 5.118 20 0 CKADRN C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000303850719 328362855 /nfs/dbraw/zinc/36/28/55/328362855.db2.gz KBGKASOGBPHZFR-WBVHZDCISA-N 0 0 293.410 5.118 20 0 CKADRN CCC(CC)(CC)NC(=O)Nc1c(C)cccc1C(C)C ZINC000303955023 328370206 /nfs/dbraw/zinc/37/02/06/328370206.db2.gz WXEGVBKJDYRMNO-UHFFFAOYSA-N 0 0 290.451 5.209 20 0 CKADRN CCCCCC(=O)Nc1cccc(CSC(C)C)c1C ZINC000303962597 332962811 /nfs/dbraw/zinc/96/28/11/332962811.db2.gz CEMATUHOUYJMRH-UHFFFAOYSA-N 0 0 293.476 5.155 20 0 CKADRN CCC[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000304054100 332965273 /nfs/dbraw/zinc/96/52/73/332965273.db2.gz PFWDUYCKAGQNFV-ZDUSSCGKSA-N 0 0 293.476 5.011 20 0 CKADRN Cc1c(CSC(C)C)cccc1NC(=O)CC(C)(C)C ZINC000304117818 332967074 /nfs/dbraw/zinc/96/70/74/332967074.db2.gz ZQRICQDTHXCUKK-UHFFFAOYSA-N 0 0 293.476 5.011 20 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C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1cccc(F)c1 ZINC000313586090 260303592 /nfs/dbraw/zinc/30/35/92/260303592.db2.gz YNFKCHRYIFDSTG-QWRGUYRKSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1cccc(F)c1)c1c(F)cccc1Cl ZINC000313586091 260303303 /nfs/dbraw/zinc/30/33/03/260303303.db2.gz YNFKCHRYIFDSTG-WDEREUQCSA-N 0 0 295.760 5.030 20 0 CKADRN COc1ccc2cc([C@H](C)Nc3cccc(C)c3)ccc2c1 ZINC000314264125 261600637 /nfs/dbraw/zinc/60/06/37/261600637.db2.gz ZBSKUKYJQPXLIK-HNNXBMFYSA-N 0 0 291.394 5.330 20 0 CKADRN C[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccc(F)cc1 ZINC000315412570 330475698 /nfs/dbraw/zinc/47/56/98/330475698.db2.gz IULHBMWSVUIZLS-NSHDSACASA-N 0 0 296.345 5.017 20 0 CKADRN Cc1cccc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000315487270 330476644 /nfs/dbraw/zinc/47/66/44/330476644.db2.gz QNFMYUVZZLCANI-CYBMUJFWSA-N 0 0 292.382 5.187 20 0 CKADRN COCc1ccccc1N[C@@H](C)c1cccc2ccccc21 ZINC000315534599 333382542 /nfs/dbraw/zinc/38/25/42/333382542.db2.gz JOAMYDVHTSLISM-HNNXBMFYSA-N 0 0 291.394 5.159 20 0 CKADRN COCc1ccccc1N[C@H](C)c1cccc2ccccc21 ZINC000315534602 333382550 /nfs/dbraw/zinc/38/25/50/333382550.db2.gz JOAMYDVHTSLISM-OAHLLOKOSA-N 0 0 291.394 5.159 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)c(C)o1 ZINC000315537170 330477108 /nfs/dbraw/zinc/47/71/08/330477108.db2.gz JURZULHNOCSTLE-LLVKDONJSA-N 0 0 296.370 5.088 20 0 CKADRN COCc1cccc(N[C@@H](C)c2oc3ccccc3c2C)c1 ZINC000315546739 330477377 /nfs/dbraw/zinc/47/73/77/330477377.db2.gz LBAXLGMXHIMESJ-AWEZNQCLSA-N 0 0 295.382 5.061 20 0 CKADRN COCc1cccc(N[C@H](C)c2oc3ccccc3c2C)c1 ZINC000315546740 330477388 /nfs/dbraw/zinc/47/73/88/330477388.db2.gz LBAXLGMXHIMESJ-CQSZACIVSA-N 0 0 295.382 5.061 20 0 CKADRN COCc1ccccc1N[C@@H](C)c1ccc2ccccc2c1 ZINC000315675057 333382973 /nfs/dbraw/zinc/38/29/73/333382973.db2.gz QROVZZPYKUELFW-HNNXBMFYSA-N 0 0 291.394 5.159 20 0 CKADRN COCc1ccccc1N[C@H](C)c1ccc2ccccc2c1 ZINC000315675058 333383069 /nfs/dbraw/zinc/38/30/69/333383069.db2.gz QROVZZPYKUELFW-OAHLLOKOSA-N 0 0 291.394 5.159 20 0 CKADRN CC(C)c1nc2cc(N[C@H](C)c3cccc(F)c3)ccc2o1 ZINC000315749983 334811977 /nfs/dbraw/zinc/81/19/77/334811977.db2.gz HPVYPMXMXGLOTO-GFCCVEGCSA-N 0 0 298.361 5.263 20 0 CKADRN CC(C)c1nc2cc(N[C@@H](C)c3cccc(F)c3)ccc2o1 ZINC000315749984 334812053 /nfs/dbraw/zinc/81/20/53/334812053.db2.gz HPVYPMXMXGLOTO-LBPRGKRZSA-N 0 0 298.361 5.263 20 0 CKADRN CC(C)c1nc2cc(N[C@H](C)c3ccc(F)cc3)ccc2o1 ZINC000315773161 333383792 /nfs/dbraw/zinc/38/37/92/333383792.db2.gz UFRBEHWSPWVUJF-GFCCVEGCSA-N 0 0 298.361 5.263 20 0 CKADRN CC(C)c1nc2cc(N[C@@H](C)c3ccc(F)cc3)ccc2o1 ZINC000315773164 333383684 /nfs/dbraw/zinc/38/36/84/333383684.db2.gz UFRBEHWSPWVUJF-LBPRGKRZSA-N 0 0 298.361 5.263 20 0 CKADRN CCC(CC)n1ccc(CNc2cccc3ccccc32)n1 ZINC000315886874 333384157 /nfs/dbraw/zinc/38/41/57/333384157.db2.gz OBZYWYCTKRLDFS-UHFFFAOYSA-N 0 0 293.414 5.010 20 0 CKADRN CC[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926699 333384718 /nfs/dbraw/zinc/38/47/18/333384718.db2.gz UVVJIWVBZLCJFX-AZUAARDMSA-N 0 0 291.394 5.110 20 0 CKADRN CC[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926701 333384683 /nfs/dbraw/zinc/38/46/83/333384683.db2.gz UVVJIWVBZLCJFX-ICSRJNTNSA-N 0 0 291.394 5.110 20 0 CKADRN CC[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926703 333384661 /nfs/dbraw/zinc/38/46/61/333384661.db2.gz UVVJIWVBZLCJFX-QUCCMNQESA-N 0 0 291.394 5.110 20 0 CKADRN CC[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccccc1 ZINC000315926705 333384604 /nfs/dbraw/zinc/38/46/04/333384604.db2.gz UVVJIWVBZLCJFX-UYAOXDASSA-N 0 0 291.394 5.110 20 0 CKADRN Cc1cccc(C(C)C)c1NCc1csc(C2CC2)n1 ZINC000340128848 524243074 /nfs/dbraw/zinc/24/30/74/524243074.db2.gz GINDLESZCZBPQP-UHFFFAOYSA-N 0 0 286.444 5.064 20 0 CKADRN Cc1c(C(=O)Nc2c(C)cccc2C(C)C)ccn1C(C)C ZINC000341887645 130114489 /nfs/dbraw/zinc/11/44/89/130114489.db2.gz ZRBBCZRHCRNSRT-UHFFFAOYSA-N 0 0 298.430 5.062 20 0 CKADRN Cc1nc(CNc2c(C(C)C)cccc2C(C)C)oc1C ZINC000352541868 227049984 /nfs/dbraw/zinc/04/99/84/227049984.db2.gz FATJUMQNVOSHHG-UHFFFAOYSA-N 0 0 286.419 5.150 20 0 CKADRN Cc1noc(C)c1CNc1c(C(C)C)cccc1C(C)C ZINC000352542583 227050115 /nfs/dbraw/zinc/05/01/15/227050115.db2.gz QKAPJUOOBNJOER-UHFFFAOYSA-N 0 0 286.419 5.150 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NCc1nccs1 ZINC000352542670 528162096 /nfs/dbraw/zinc/16/20/96/528162096.db2.gz SFAOKPLIWMKKAX-UHFFFAOYSA-N 0 0 274.433 5.002 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NCc1ncc(C2CC2)o1 ZINC000352548369 528162022 /nfs/dbraw/zinc/16/20/22/528162022.db2.gz QGMNUCNHZDKFPH-UHFFFAOYSA-N 0 0 298.430 5.411 20 0 CKADRN Cc1cc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)c(C)o1 ZINC000380279608 335968722 /nfs/dbraw/zinc/96/87/22/335968722.db2.gz BNKRMYGDWXWFDQ-WDEREUQCSA-N 0 0 295.785 5.101 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc(C(F)(F)F)c2)cs1 ZINC000381409963 336061905 /nfs/dbraw/zinc/06/19/05/336061905.db2.gz XNKZVPRLXJYTRP-SNVBAGLBSA-N 0 0 285.334 5.248 20 0 CKADRN C[C@@H](N[C@H](C)c1c(F)cccc1Cl)c1ccccc1F ZINC000381444805 336063929 /nfs/dbraw/zinc/06/39/29/336063929.db2.gz XEZLSTSAYNXCJX-GHMZBOCLSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccccc1F ZINC000381444807 336063916 /nfs/dbraw/zinc/06/39/16/336063916.db2.gz XEZLSTSAYNXCJX-MNOVXSKESA-N 0 0 295.760 5.030 20 0 CKADRN C[C@H](N[C@@H](C)c1c(F)cccc1Cl)c1ccccc1F ZINC000381444810 336064077 /nfs/dbraw/zinc/06/40/77/336064077.db2.gz XEZLSTSAYNXCJX-QWRGUYRKSA-N 0 0 295.760 5.030 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccccc1F)c1c(F)cccc1Cl ZINC000381444811 336063935 /nfs/dbraw/zinc/06/39/35/336063935.db2.gz XEZLSTSAYNXCJX-WDEREUQCSA-N 0 0 295.760 5.030 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc(C)c3ncccc23)cs1 ZINC000381473090 336066162 /nfs/dbraw/zinc/06/61/62/336066162.db2.gz LTGSHBSPVUZGNK-CYBMUJFWSA-N 0 0 282.412 5.086 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc(C)c3ncccc23)cs1 ZINC000381473091 336066068 /nfs/dbraw/zinc/06/60/68/336066068.db2.gz LTGSHBSPVUZGNK-ZDUSSCGKSA-N 0 0 282.412 5.086 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc3ccc(C)nc32)cs1 ZINC000381476936 336066029 /nfs/dbraw/zinc/06/60/29/336066029.db2.gz MUQPSAJFMWVZAZ-CYBMUJFWSA-N 0 0 282.412 5.086 20 0 CKADRN Cc1cc([C@H](C)Nc2cccc3ccc(C)nc32)cs1 ZINC000381476937 336066178 /nfs/dbraw/zinc/06/61/78/336066178.db2.gz MUQPSAJFMWVZAZ-ZDUSSCGKSA-N 0 0 282.412 5.086 20 0 CKADRN CCCOc1cccc(N[C@H](C)c2csc(C)c2)c1 ZINC000381615555 327654749 /nfs/dbraw/zinc/65/47/49/327654749.db2.gz QDDMFNNIFVDGLF-CYBMUJFWSA-N 0 0 275.417 5.018 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc(C(C)C)cc2)cs1 ZINC000381615899 336069410 /nfs/dbraw/zinc/06/94/10/336069410.db2.gz QGAPHXHTNORCKY-CYBMUJFWSA-N 0 0 259.418 5.353 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc(C(C)C)cc2)cs1 ZINC000381615901 336069496 /nfs/dbraw/zinc/06/94/96/336069496.db2.gz QGAPHXHTNORCKY-ZDUSSCGKSA-N 0 0 259.418 5.353 20 0 CKADRN CCCOc1ccccc1N[C@H](C)c1csc(C)c1 ZINC000381626648 336069633 /nfs/dbraw/zinc/06/96/33/336069633.db2.gz UKUMKRSHIIXJTP-CYBMUJFWSA-N 0 0 275.417 5.018 20 0 CKADRN CCCOc1ccccc1N[C@@H](C)c1csc(C)c1 ZINC000381626650 336069614 /nfs/dbraw/zinc/06/96/14/336069614.db2.gz UKUMKRSHIIXJTP-ZDUSSCGKSA-N 0 0 275.417 5.018 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc(C(C)C)c2)cs1 ZINC000381649504 336069903 /nfs/dbraw/zinc/06/99/03/336069903.db2.gz YJTIVRZNWPKUJG-CYBMUJFWSA-N 0 0 259.418 5.353 20 0 CKADRN Cc1cc([C@H](C)Nc2cccc(C(C)C)c2)cs1 ZINC000381649505 336069828 /nfs/dbraw/zinc/06/98/28/336069828.db2.gz YJTIVRZNWPKUJG-ZDUSSCGKSA-N 0 0 259.418 5.353 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc(F)c(Cl)c2)cs1 ZINC000381705479 336071252 /nfs/dbraw/zinc/07/12/52/336071252.db2.gz HRTMUSSFNALWEN-SECBINFHSA-N 0 0 269.772 5.022 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc(F)c(Cl)c2)cs1 ZINC000381705490 336071260 /nfs/dbraw/zinc/07/12/60/336071260.db2.gz HRTMUSSFNALWEN-VIFPVBQESA-N 0 0 269.772 5.022 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc3oc(C4CC4)nc3c2)cs1 ZINC000381749528 336072294 /nfs/dbraw/zinc/07/22/94/336072294.db2.gz NGEXMFQFGUJXBE-LLVKDONJSA-N 0 0 298.411 5.248 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)cs1 ZINC000381749552 336072271 /nfs/dbraw/zinc/07/22/71/336072271.db2.gz NGEXMFQFGUJXBE-NSHDSACASA-N 0 0 298.411 5.248 20 0 CKADRN Cc1cc([C@H](C)N[C@@H](c2ccco2)c2ccccc2)cs1 ZINC000381783498 336073050 /nfs/dbraw/zinc/07/30/50/336073050.db2.gz RJRYHMGUYGLVFN-KBXCAEBGSA-N 0 0 297.423 5.090 20 0 CKADRN Cc1cc([C@@H](C)N[C@H](c2ccco2)c2ccccc2)cs1 ZINC000381783500 336072958 /nfs/dbraw/zinc/07/29/58/336072958.db2.gz RJRYHMGUYGLVFN-KDOFPFPSSA-N 0 0 297.423 5.090 20 0 CKADRN Cc1cc([C@H](C)N[C@H](c2ccco2)c2ccccc2)cs1 ZINC000381783503 336073034 /nfs/dbraw/zinc/07/30/34/336073034.db2.gz RJRYHMGUYGLVFN-KSSFIOAISA-N 0 0 297.423 5.090 20 0 CKADRN Cc1cc([C@@H](C)N[C@@H](c2ccco2)c2ccccc2)cs1 ZINC000381783510 336072994 /nfs/dbraw/zinc/07/29/94/336072994.db2.gz RJRYHMGUYGLVFN-RDTXWAMCSA-N 0 0 297.423 5.090 20 0 CKADRN CC[C@H](Nc1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000382069918 327820665 /nfs/dbraw/zinc/82/06/65/327820665.db2.gz CAWMWAYSOZFMEL-ZDUSSCGKSA-N 0 0 285.334 5.330 20 0 CKADRN CCc1nc2cc(N[C@H](CC)c3ccsc3)ccc2o1 ZINC000382075879 336081238 /nfs/dbraw/zinc/08/12/38/336081238.db2.gz DDJLQHHPTJZQOR-CYBMUJFWSA-N 0 0 286.400 5.015 20 0 CKADRN CCc1nc2cc(N[C@@H](CC)c3ccsc3)ccc2o1 ZINC000382075880 336081114 /nfs/dbraw/zinc/08/11/14/336081114.db2.gz DDJLQHHPTJZQOR-ZDUSSCGKSA-N 0 0 286.400 5.015 20 0 CKADRN CC[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccsc1 ZINC000382078959 327822226 /nfs/dbraw/zinc/82/22/26/327822226.db2.gz DUJQNHKWFBQBFS-CQSZACIVSA-N 0 0 298.411 5.330 20 0 CKADRN CC[C@@H](Nc1cccc(Br)c1)c1ccsc1 ZINC000382100406 336081733 /nfs/dbraw/zinc/08/17/33/336081733.db2.gz IZAZCIUELAGPMC-CYBMUJFWSA-N 0 0 296.233 5.074 20 0 CKADRN CC[C@H](Nc1cccc(Br)c1)c1ccsc1 ZINC000382100408 336081654 /nfs/dbraw/zinc/08/16/54/336081654.db2.gz IZAZCIUELAGPMC-ZDUSSCGKSA-N 0 0 296.233 5.074 20 0 CKADRN CC[C@H](Nc1ccc(SC)cc1)c1ccsc1 ZINC000382105829 336081743 /nfs/dbraw/zinc/08/17/43/336081743.db2.gz NZTGFNAUQRGLTP-AWEZNQCLSA-N 0 0 263.431 5.033 20 0 CKADRN CC[C@@H](Nc1ccc(SC)cc1)c1ccsc1 ZINC000382105831 336081687 /nfs/dbraw/zinc/08/16/87/336081687.db2.gz NZTGFNAUQRGLTP-CQSZACIVSA-N 0 0 263.431 5.033 20 0 CKADRN CC[C@H](Nc1cccc2ccccc21)c1ccsc1 ZINC000382109403 336082047 /nfs/dbraw/zinc/08/20/47/336082047.db2.gz KOTHBKFWJPOMQP-INIZCTEOSA-N 0 0 267.397 5.465 20 0 CKADRN CC[C@@H](Nc1cccc2ccccc21)c1ccsc1 ZINC000382109408 336081906 /nfs/dbraw/zinc/08/19/06/336081906.db2.gz KOTHBKFWJPOMQP-MRXNPFEDSA-N 0 0 267.397 5.465 20 0 CKADRN CC[C@@H](Nc1ccc(Br)cc1)c1ccsc1 ZINC000382115841 336082051 /nfs/dbraw/zinc/08/20/51/336082051.db2.gz LRSMROFHCSLLOP-CYBMUJFWSA-N 0 0 296.233 5.074 20 0 CKADRN CC[C@H](Nc1ccc(Br)cc1)c1ccsc1 ZINC000382115842 336081875 /nfs/dbraw/zinc/08/18/75/336081875.db2.gz LRSMROFHCSLLOP-ZDUSSCGKSA-N 0 0 296.233 5.074 20 0 CKADRN CCCOc1cccc(N[C@@H](CC)c2ccsc2)c1 ZINC000382116764 336081890 /nfs/dbraw/zinc/08/18/90/336081890.db2.gz LXOKVJSAXXSGEG-INIZCTEOSA-N 0 0 275.417 5.100 20 0 CKADRN CCCOc1cccc(N[C@H](CC)c2ccsc2)c1 ZINC000382116765 336082011 /nfs/dbraw/zinc/08/20/11/336082011.db2.gz LXOKVJSAXXSGEG-MRXNPFEDSA-N 0 0 275.417 5.100 20 0 CKADRN CC[C@H](Nc1ccc(C(C)C)cc1)c1ccsc1 ZINC000382122055 336082164 /nfs/dbraw/zinc/08/21/64/336082164.db2.gz MYLOIANFLNBHQB-INIZCTEOSA-N 0 0 259.418 5.435 20 0 CKADRN CC[C@@H](Nc1ccc(C(C)C)cc1)c1ccsc1 ZINC000382122058 336082181 /nfs/dbraw/zinc/08/21/81/336082181.db2.gz MYLOIANFLNBHQB-MRXNPFEDSA-N 0 0 259.418 5.435 20 0 CKADRN CC[C@@H](Nc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000382128250 336082340 /nfs/dbraw/zinc/08/23/40/336082340.db2.gz OCZNMARIVIYZHR-CYBMUJFWSA-N 0 0 269.772 5.104 20 0 CKADRN CC[C@H](Nc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000382128261 336082236 /nfs/dbraw/zinc/08/22/36/336082236.db2.gz OCZNMARIVIYZHR-ZDUSSCGKSA-N 0 0 269.772 5.104 20 0 CKADRN CC[C@H](Nc1cccc2ccc(C)nc21)c1ccsc1 ZINC000382133984 336082581 /nfs/dbraw/zinc/08/25/81/336082581.db2.gz PFSUSRJYRLJMRL-HNNXBMFYSA-N 0 0 282.412 5.168 20 0 CKADRN CC[C@@H](Nc1cccc2ccc(C)nc21)c1ccsc1 ZINC000382133985 336082538 /nfs/dbraw/zinc/08/25/38/336082538.db2.gz PFSUSRJYRLJMRL-OAHLLOKOSA-N 0 0 282.412 5.168 20 0 CKADRN CC[C@@H](Nc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000382148519 336082952 /nfs/dbraw/zinc/08/29/52/336082952.db2.gz RWJDTBKVCOXXNN-CYBMUJFWSA-N 0 0 269.772 5.104 20 0 CKADRN CC[C@H](Nc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000382148521 336082959 /nfs/dbraw/zinc/08/29/59/336082959.db2.gz RWJDTBKVCOXXNN-ZDUSSCGKSA-N 0 0 269.772 5.104 20 0 CKADRN CCOc1cc(C)ccc1N[C@@H](CC)c1ccsc1 ZINC000382168186 336083455 /nfs/dbraw/zinc/08/34/55/336083455.db2.gz VSYLUWUTHMXKCK-AWEZNQCLSA-N 0 0 275.417 5.018 20 0 CKADRN CCOc1cc(C)ccc1N[C@H](CC)c1ccsc1 ZINC000382168192 336083576 /nfs/dbraw/zinc/08/35/76/336083576.db2.gz VSYLUWUTHMXKCK-CQSZACIVSA-N 0 0 275.417 5.018 20 0 CKADRN CC[C@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccsc1 ZINC000382169775 336083484 /nfs/dbraw/zinc/08/34/84/336083484.db2.gz VYFUZVZWFGTYAN-DLBZAZTESA-N 0 0 287.472 5.576 20 0 CKADRN CC[C@@H]([NH2+][C@H](c1ccccc1)C(C)(C)C)c1ccsc1 ZINC000382169777 336083448 /nfs/dbraw/zinc/08/34/48/336083448.db2.gz VYFUZVZWFGTYAN-IAGOWNOFSA-N 0 0 287.472 5.576 20 0 CKADRN CC[C@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccsc1 ZINC000382169779 336083403 /nfs/dbraw/zinc/08/34/03/336083403.db2.gz VYFUZVZWFGTYAN-IRXDYDNUSA-N 0 0 287.472 5.576 20 0 CKADRN CC[C@@H]([NH2+][C@@H](c1ccccc1)C(C)(C)C)c1ccsc1 ZINC000382169781 336083518 /nfs/dbraw/zinc/08/35/18/336083518.db2.gz VYFUZVZWFGTYAN-SJORKVTESA-N 0 0 287.472 5.576 20 0 CKADRN CC[C@H](Nc1ccc(C)c2ncccc12)c1ccsc1 ZINC000382180901 336084286 /nfs/dbraw/zinc/08/42/86/336084286.db2.gz XSNJFOGXRYQMNX-HNNXBMFYSA-N 0 0 282.412 5.168 20 0 CKADRN CC[C@@H](Nc1ccc(C)c2ncccc12)c1ccsc1 ZINC000382180903 336084267 /nfs/dbraw/zinc/08/42/67/336084267.db2.gz XSNJFOGXRYQMNX-OAHLLOKOSA-N 0 0 282.412 5.168 20 0 CKADRN CC[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191680 336084138 /nfs/dbraw/zinc/08/41/38/336084138.db2.gz ZCHFPKXMYFKFRT-AEFFLSMTSA-N 0 0 297.423 5.171 20 0 CKADRN CC[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191696 336084094 /nfs/dbraw/zinc/08/40/94/336084094.db2.gz ZCHFPKXMYFKFRT-FUHWJXTLSA-N 0 0 297.423 5.171 20 0 CKADRN CC[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382191703 336084151 /nfs/dbraw/zinc/08/41/51/336084151.db2.gz ZCHFPKXMYFKFRT-SJLPKXTDSA-N 0 0 297.423 5.171 20 0 CKADRN CC[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccsc1 ZINC000382192126 336084043 /nfs/dbraw/zinc/08/40/43/336084043.db2.gz ZCHFPKXMYFKFRT-WMZOPIPTSA-N 0 0 297.423 5.171 20 0 CKADRN CC[C@H](Nc1cccc(C(C)C)c1)c1ccsc1 ZINC000382196400 336084364 /nfs/dbraw/zinc/08/43/64/336084364.db2.gz ZWQQLIUXGRNIIT-INIZCTEOSA-N 0 0 259.418 5.435 20 0 CKADRN CC[C@@H](Nc1cccc(C(C)C)c1)c1ccsc1 ZINC000382196401 336084336 /nfs/dbraw/zinc/08/43/36/336084336.db2.gz ZWQQLIUXGRNIIT-MRXNPFEDSA-N 0 0 259.418 5.435 20 0 CKADRN Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000386096261 336166370 /nfs/dbraw/zinc/16/63/70/336166370.db2.gz NYRYANYYLRWBCQ-DLBZAZTESA-N 0 0 297.442 5.194 20 0 CKADRN Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccccc2OC(C)C)c1 ZINC000386096262 336166334 /nfs/dbraw/zinc/16/63/34/336166334.db2.gz NYRYANYYLRWBCQ-IAGOWNOFSA-N 0 0 297.442 5.194 20 0 CKADRN Cc1cccc([C@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000386096263 336166437 /nfs/dbraw/zinc/16/64/37/336166437.db2.gz NYRYANYYLRWBCQ-IRXDYDNUSA-N 0 0 297.442 5.194 20 0 CKADRN Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2OC(C)C)c1 ZINC000386096264 336166269 /nfs/dbraw/zinc/16/62/69/336166269.db2.gz NYRYANYYLRWBCQ-SJORKVTESA-N 0 0 297.442 5.194 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1 ZINC000386118854 336166657 /nfs/dbraw/zinc/16/66/57/336166657.db2.gz BWVCZPKFJHGAMM-JTQLQIEISA-N 0 0 281.733 5.451 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1cccc(Cl)c1 ZINC000386118860 336166641 /nfs/dbraw/zinc/16/66/41/336166641.db2.gz BWVCZPKFJHGAMM-SNVBAGLBSA-N 0 0 281.733 5.451 20 0 CKADRN Cc1ccc(CNc2cccc(C(F)F)c2)cc1Cl ZINC000386124213 336166599 /nfs/dbraw/zinc/16/65/99/336166599.db2.gz CSVRMSYMLFVVQO-UHFFFAOYSA-N 0 0 281.733 5.198 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1cc2ccccc2o1 ZINC000386130459 336166888 /nfs/dbraw/zinc/16/68/88/336166888.db2.gz DYDNBJXZQVCDFW-LLVKDONJSA-N 0 0 287.309 5.544 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1cc2ccccc2o1 ZINC000386130460 336166706 /nfs/dbraw/zinc/16/67/06/336166706.db2.gz DYDNBJXZQVCDFW-NSHDSACASA-N 0 0 287.309 5.544 20 0 CKADRN CC(C)c1ccc(NC(=O)c2ccccc2F)c(C(C)C)c1 ZINC000386132902 336166898 /nfs/dbraw/zinc/16/68/98/336166898.db2.gz VUEDCADBRXIJKL-UHFFFAOYSA-N 0 0 299.389 5.325 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccc(Cl)cc1 ZINC000386167226 336167400 /nfs/dbraw/zinc/16/74/00/336167400.db2.gz MEDTZJLHQBVFOO-JTQLQIEISA-N 0 0 281.733 5.451 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(Cl)cc1 ZINC000386167738 336167236 /nfs/dbraw/zinc/16/72/36/336167236.db2.gz MEDTZJLHQBVFOO-SNVBAGLBSA-N 0 0 281.733 5.451 20 0 CKADRN Fc1ccc(Cl)c(CNc2cccc(C(F)F)c2)c1 ZINC000386167767 336167273 /nfs/dbraw/zinc/16/72/73/336167273.db2.gz MFLSTSIWHLGDJS-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1cccc2ccccc21 ZINC000386186514 336167783 /nfs/dbraw/zinc/16/77/83/336167783.db2.gz AWARWQJYDWQFMH-CYBMUJFWSA-N 0 0 297.348 5.951 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1cccc2ccccc21 ZINC000386186542 328959776 /nfs/dbraw/zinc/95/97/76/328959776.db2.gz AWARWQJYDWQFMH-ZDUSSCGKSA-N 0 0 297.348 5.951 20 0 CKADRN C[C@H](CCc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000386188233 336167832 /nfs/dbraw/zinc/16/78/32/336167832.db2.gz BFQCYRDZYCRDGC-CYBMUJFWSA-N 0 0 275.342 5.057 20 0 CKADRN C[C@@H](CCc1ccccc1)Nc1cccc(C(F)F)c1 ZINC000386188234 336167806 /nfs/dbraw/zinc/16/78/06/336167806.db2.gz BFQCYRDZYCRDGC-ZDUSSCGKSA-N 0 0 275.342 5.057 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccccc1Cl ZINC000386191192 336167784 /nfs/dbraw/zinc/16/77/84/336167784.db2.gz PZYCPMNQXOARFH-JTQLQIEISA-N 0 0 281.733 5.451 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccccc1Cl ZINC000386191193 336167924 /nfs/dbraw/zinc/16/79/24/336167924.db2.gz PZYCPMNQXOARFH-SNVBAGLBSA-N 0 0 281.733 5.451 20 0 CKADRN Fc1cccc(CNc2cccc(C(F)F)c2)c1Cl ZINC000386206124 336167997 /nfs/dbraw/zinc/16/79/97/336167997.db2.gz SLEKOUZNOCBPRW-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN C[C@H](CCCC(F)(F)F)Nc1cccc(C(F)F)c1 ZINC000386207590 336168092 /nfs/dbraw/zinc/16/80/92/336168092.db2.gz SPMDKGJYJQSUCV-SECBINFHSA-N 0 0 281.268 5.157 20 0 CKADRN C[C@@H](CCCC(F)(F)F)Nc1cccc(C(F)F)c1 ZINC000386207591 336168145 /nfs/dbraw/zinc/16/81/45/336168145.db2.gz SPMDKGJYJQSUCV-VIFPVBQESA-N 0 0 281.268 5.157 20 0 CKADRN FC(F)c1cccc(CNc2cccc3ccsc32)c1 ZINC000386222509 336168681 /nfs/dbraw/zinc/16/86/81/336168681.db2.gz KERJATUUCQVXKW-UHFFFAOYSA-N 0 0 289.350 5.451 20 0 CKADRN COCc1cccc(N[C@@H](C)c2cccc3ccccc32)c1 ZINC000386222885 336168550 /nfs/dbraw/zinc/16/85/50/336168550.db2.gz FSAFVEQYTBJVQC-HNNXBMFYSA-N 0 0 291.394 5.159 20 0 CKADRN COCc1cccc(N[C@H](C)c2cccc3ccccc32)c1 ZINC000386222887 336168721 /nfs/dbraw/zinc/16/87/21/336168721.db2.gz FSAFVEQYTBJVQC-OAHLLOKOSA-N 0 0 291.394 5.159 20 0 CKADRN Fc1cc(Cl)cc(CNc2cccc(C(F)F)c2)c1 ZINC000386223138 336168707 /nfs/dbraw/zinc/16/87/07/336168707.db2.gz KGZBMUZLYZBMGH-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN Cc1ccccc1[C@@H](C)Nc1cccc(C(F)F)c1 ZINC000386223987 336168724 /nfs/dbraw/zinc/16/87/24/336168724.db2.gz KNKFVXLYGQCMHD-GFCCVEGCSA-N 0 0 261.315 5.106 20 0 CKADRN Cc1ccccc1[C@H](C)Nc1cccc(C(F)F)c1 ZINC000386223991 336168513 /nfs/dbraw/zinc/16/85/13/336168513.db2.gz KNKFVXLYGQCMHD-LBPRGKRZSA-N 0 0 261.315 5.106 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccc2ccccc2c1 ZINC000386232809 336168524 /nfs/dbraw/zinc/16/85/24/336168524.db2.gz MTXVYDNILSSIIF-CYBMUJFWSA-N 0 0 297.348 5.951 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccc2ccccc2c1 ZINC000386232813 336168548 /nfs/dbraw/zinc/16/85/48/336168548.db2.gz MTXVYDNILSSIIF-ZDUSSCGKSA-N 0 0 297.348 5.951 20 0 CKADRN COc1ccc2cc([C@@H](C)Nc3ccc(F)cc3)ccc2c1 ZINC000386236350 336168607 /nfs/dbraw/zinc/16/86/07/336168607.db2.gz RRCFFXKREORNAM-CYBMUJFWSA-N 0 0 295.357 5.161 20 0 CKADRN COc1ccc2cc([C@H](C)Nc3ccc(F)cc3)ccc2c1 ZINC000386236351 336168729 /nfs/dbraw/zinc/16/87/29/336168729.db2.gz RRCFFXKREORNAM-ZDUSSCGKSA-N 0 0 295.357 5.161 20 0 CKADRN c1cc2cccc(NCc3cccc4cccnc43)c2s1 ZINC000386238050 336168705 /nfs/dbraw/zinc/16/87/05/336168705.db2.gz OEDVWBMRKYXUTB-UHFFFAOYSA-N 0 0 290.391 5.062 20 0 CKADRN C[C@H](Nc1cccc2ccsc21)c1ccsc1 ZINC000386250151 336169019 /nfs/dbraw/zinc/16/90/19/336169019.db2.gz RKTZCPOWDZBNGX-JTQLQIEISA-N 0 0 259.399 5.136 20 0 CKADRN C[C@@H](Nc1cccc2ccsc21)c1ccsc1 ZINC000386250163 336168815 /nfs/dbraw/zinc/16/88/15/336168815.db2.gz RKTZCPOWDZBNGX-SNVBAGLBSA-N 0 0 259.399 5.136 20 0 CKADRN FC(F)c1ccc(CNc2cccc3ccsc32)cc1 ZINC000386254676 336169062 /nfs/dbraw/zinc/16/90/62/336169062.db2.gz STYBCTXDQRVSEI-UHFFFAOYSA-N 0 0 289.350 5.451 20 0 CKADRN C[C@H](Nc1cccc2ccsc21)c1cccs1 ZINC000386259880 336169338 /nfs/dbraw/zinc/16/93/38/336169338.db2.gz VDHYDTVGIMIAEB-JTQLQIEISA-N 0 0 259.399 5.136 20 0 CKADRN C[C@@H](Nc1cccc2ccsc21)c1cccs1 ZINC000386259881 336169540 /nfs/dbraw/zinc/16/95/40/336169540.db2.gz VDHYDTVGIMIAEB-SNVBAGLBSA-N 0 0 259.399 5.136 20 0 CKADRN Cc1cc(C)c(CNc2cccc(C(F)F)c2)c(C)c1 ZINC000386261076 336169336 /nfs/dbraw/zinc/16/93/36/336169336.db2.gz VOHPAWHXCPUULU-UHFFFAOYSA-N 0 0 275.342 5.162 20 0 CKADRN Fc1cc(Cl)ccc1CNc1cccc(C(F)F)c1 ZINC000386262107 336169351 /nfs/dbraw/zinc/16/93/51/336169351.db2.gz VWQFFJUIJCQGGN-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN c1cc2cccc(NCc3ccc4ncccc4c3)c2s1 ZINC000386265133 336169559 /nfs/dbraw/zinc/16/95/59/336169559.db2.gz XAHKFDMQBWHHKS-UHFFFAOYSA-N 0 0 290.391 5.062 20 0 CKADRN FC(F)c1cccc(CNc2cccc(C(F)F)c2)c1 ZINC000386354542 336171495 /nfs/dbraw/zinc/17/14/95/336171495.db2.gz VCCJCVJDHNXGMX-UHFFFAOYSA-N 0 0 283.268 5.174 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000386359283 336171413 /nfs/dbraw/zinc/17/14/13/336171413.db2.gz VYHGEWHZFSPSGU-SECBINFHSA-N 0 0 299.723 5.590 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1)c1ccc(F)c(Cl)c1 ZINC000386359284 336171406 /nfs/dbraw/zinc/17/14/06/336171406.db2.gz VYHGEWHZFSPSGU-VIFPVBQESA-N 0 0 299.723 5.590 20 0 CKADRN c1cc2cccc(NCc3cnc4ccccc4c3)c2s1 ZINC000386382051 336171926 /nfs/dbraw/zinc/17/19/26/336171926.db2.gz DMZLIPSOXBNNLI-UHFFFAOYSA-N 0 0 290.391 5.062 20 0 CKADRN Cc1nc(C)c([C@H](C)Nc2cccc3ccsc32)s1 ZINC000386403848 336172458 /nfs/dbraw/zinc/17/24/58/336172458.db2.gz IHPKRFWIAITGAW-JTQLQIEISA-N 0 0 288.441 5.148 20 0 CKADRN Cc1nc(C)c([C@@H](C)Nc2cccc3ccsc32)s1 ZINC000386403850 336172341 /nfs/dbraw/zinc/17/23/41/336172341.db2.gz IHPKRFWIAITGAW-SNVBAGLBSA-N 0 0 288.441 5.148 20 0 CKADRN Cc1cc([C@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000386768595 336178567 /nfs/dbraw/zinc/17/85/67/336178567.db2.gz HEPVJUFLSYCEJA-KBPBESRZSA-N 0 0 297.398 5.363 20 0 CKADRN Cc1cc([C@@H](C)[NH2+][C@@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000386768607 336178602 /nfs/dbraw/zinc/17/86/02/336178602.db2.gz HEPVJUFLSYCEJA-KGLIPLIRSA-N 0 0 297.398 5.363 20 0 CKADRN Cc1cc([C@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000386768610 336178400 /nfs/dbraw/zinc/17/84/00/336178400.db2.gz HEPVJUFLSYCEJA-UONOGXRCSA-N 0 0 297.398 5.363 20 0 CKADRN Cc1cc([C@@H](C)[NH2+][C@H](C)c2oc3ccccc3c2C)c(C)o1 ZINC000386768612 336178530 /nfs/dbraw/zinc/17/85/30/336178530.db2.gz HEPVJUFLSYCEJA-ZIAGYGMSSA-N 0 0 297.398 5.363 20 0 CKADRN FC(F)Oc1ccc(CNc2cccc3ccccc32)cc1 ZINC000386981818 336183411 /nfs/dbraw/zinc/18/34/11/336183411.db2.gz ZSYKCGAIQLJDQE-UHFFFAOYSA-N 0 0 299.320 5.053 20 0 CKADRN Cc1cscc1N[C@@H]1C[C@H](C)Sc2sccc21 ZINC000387070683 336184640 /nfs/dbraw/zinc/18/46/40/336184640.db2.gz AVSLHPLSYDWUHQ-GXSJLCMTSA-N 0 0 281.471 5.156 20 0 CKADRN Cc1cscc1N[C@H]1C[C@H](C)Sc2sccc21 ZINC000387070691 336184525 /nfs/dbraw/zinc/18/45/25/336184525.db2.gz AVSLHPLSYDWUHQ-ONGXEEELSA-N 0 0 281.471 5.156 20 0 CKADRN Cc1cscc1N[C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000387232074 336189248 /nfs/dbraw/zinc/18/92/48/336189248.db2.gz NHUHRYPSTUZVAY-JTQLQIEISA-N 0 0 294.489 5.292 20 0 CKADRN Cc1cscc1N[C@H](C)c1sc(C(C)(C)C)nc1C ZINC000387232077 336189416 /nfs/dbraw/zinc/18/94/16/336189416.db2.gz NHUHRYPSTUZVAY-SNVBAGLBSA-N 0 0 294.489 5.292 20 0 CKADRN CC(C)c1nc2cc(N[C@H](C)c3ccccc3F)ccc2o1 ZINC000387294967 336191117 /nfs/dbraw/zinc/19/11/17/336191117.db2.gz MJOQKHOOXBAJDM-GFCCVEGCSA-N 0 0 298.361 5.263 20 0 CKADRN CC(C)c1nc2cc(N[C@@H](C)c3ccccc3F)ccc2o1 ZINC000387294969 336191172 /nfs/dbraw/zinc/19/11/72/336191172.db2.gz MJOQKHOOXBAJDM-LBPRGKRZSA-N 0 0 298.361 5.263 20 0 CKADRN C[C@H](Nc1cccc2ccncc21)c1cc2ccccc2o1 ZINC000387907333 327819895 /nfs/dbraw/zinc/81/98/95/327819895.db2.gz UQGDJZIVBLCUIY-ZDUSSCGKSA-N 0 0 288.350 5.154 20 0 CKADRN Cc1ccc2cccc(NCc3ccc(C(F)F)cc3)c2n1 ZINC000388181274 327852151 /nfs/dbraw/zinc/85/21/51/327852151.db2.gz MWCYSNFNRLSOIW-UHFFFAOYSA-N 0 0 298.336 5.093 20 0 CKADRN Cc1ccc(NCc2ccc(C(F)F)cc2)c2cccnc12 ZINC000388597411 327911746 /nfs/dbraw/zinc/91/17/46/327911746.db2.gz JHLULKCNMGCARX-UHFFFAOYSA-N 0 0 298.336 5.093 20 0 CKADRN C[C@H](Nc1ccc2c(c1)COC2)c1cccc2ccccc21 ZINC000389016368 328603077 /nfs/dbraw/zinc/60/30/77/328603077.db2.gz KVCCOIXIZRVEBN-AWEZNQCLSA-N 0 0 289.378 5.043 20 0 CKADRN C[C@@H](Nc1ccc2c(c1)COC2)c1ccc2ccccc2c1 ZINC000389093828 328616651 /nfs/dbraw/zinc/61/66/51/328616651.db2.gz HSYMLPWWFTXLOR-CQSZACIVSA-N 0 0 289.378 5.043 20 0 CKADRN CC[C@H](Nc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000394299111 260677383 /nfs/dbraw/zinc/67/73/83/260677383.db2.gz QUZPLIIIDJOTEF-ZDUSSCGKSA-N 0 0 285.334 5.330 20 0 CKADRN CCCOc1ccccc1N[C@@H](CC)c1ccsc1 ZINC000394350145 327342762 /nfs/dbraw/zinc/34/27/62/327342762.db2.gz MKSZOFGTEGLHQU-AWEZNQCLSA-N 0 0 275.417 5.100 20 0 CKADRN CCCOc1ccccc1N[C@H](CC)c1ccsc1 ZINC000394350154 327342813 /nfs/dbraw/zinc/34/28/13/327342813.db2.gz MKSZOFGTEGLHQU-CQSZACIVSA-N 0 0 275.417 5.100 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc3ccccc32)cs1 ZINC000394503273 261180718 /nfs/dbraw/zinc/18/07/18/261180718.db2.gz SIQOVXZFOWMLOL-CYBMUJFWSA-N 0 0 267.397 5.383 20 0 CKADRN Cc1cc([C@H](C)Nc2cccc3ccccc32)cs1 ZINC000394503274 261180815 /nfs/dbraw/zinc/18/08/15/261180815.db2.gz SIQOVXZFOWMLOL-ZDUSSCGKSA-N 0 0 267.397 5.383 20 0 CKADRN c1cc2cccc(NCc3ccnc4ccccc34)c2s1 ZINC000395328499 329282625 /nfs/dbraw/zinc/28/26/25/329282625.db2.gz XVODILBKUGIVRO-UHFFFAOYSA-N 0 0 290.391 5.062 20 0 CKADRN CCC(CC)n1ccc(CNc2cccc3ccsc32)n1 ZINC000395440754 328738153 /nfs/dbraw/zinc/73/81/53/328738153.db2.gz PTMZOCRXMNBNFX-UHFFFAOYSA-N 0 0 299.443 5.071 20 0 CKADRN Cc1cscc1N[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000395742397 328758865 /nfs/dbraw/zinc/75/88/65/328758865.db2.gz VFSPLLOYGOKIIW-HNNXBMFYSA-N 0 0 282.412 5.027 20 0 CKADRN Cc1cscc1N[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000395742399 328758866 /nfs/dbraw/zinc/75/88/66/328758866.db2.gz VFSPLLOYGOKIIW-OAHLLOKOSA-N 0 0 282.412 5.027 20 0 CKADRN CC(C)c1ccc(S[C@@H](C)c2cccnc2)cc1 ZINC000409547980 260415380 /nfs/dbraw/zinc/41/53/80/260415380.db2.gz GRVZUWDEMXITRM-ZDUSSCGKSA-N 0 0 257.402 5.058 20 0 CKADRN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2C(C)C)cc1 ZINC000409696005 260424141 /nfs/dbraw/zinc/42/41/41/260424141.db2.gz FNPIUKZHROPAQO-OAHLLOKOSA-N 0 0 296.414 5.001 20 0 CKADRN CCCC[C@@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000409981294 260443390 /nfs/dbraw/zinc/44/33/90/260443390.db2.gz RZTDLYVIZXBCTB-SECBINFHSA-N 0 0 289.753 5.042 20 0 CKADRN CCCC[C@H](C)C(=O)Nc1cc(C(F)F)ccc1Cl ZINC000409981297 260443363 /nfs/dbraw/zinc/44/33/63/260443363.db2.gz RZTDLYVIZXBCTB-VIFPVBQESA-N 0 0 289.753 5.042 20 0 CKADRN CCC(C)(C)c1ccc(NC(=O)c2ccoc2C2CC2)cc1 ZINC000410007187 260449184 /nfs/dbraw/zinc/44/91/84/260449184.db2.gz PCZAFRQTONIYOO-UHFFFAOYSA-N 0 0 297.398 5.097 20 0 CKADRN CC(C)c1ccc(NC(=O)[C@@H](C)CC(F)F)c(C(C)C)c1 ZINC000413150960 262755523 /nfs/dbraw/zinc/75/55/23/262755523.db2.gz VZTMDYINJBMAGC-LBPRGKRZSA-N 0 0 297.389 5.163 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@]12C[C@H]1CCC2 ZINC000421422239 329826042 /nfs/dbraw/zinc/82/60/42/329826042.db2.gz VEIDMUAFJOEEKF-AUUYWEPGSA-N 0 0 285.431 5.062 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@]12C[C@@H]1CCC2 ZINC000421422242 329826227 /nfs/dbraw/zinc/82/62/27/329826227.db2.gz VEIDMUAFJOEEKF-LIRRHRJNSA-N 0 0 285.431 5.062 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421513624 329841078 /nfs/dbraw/zinc/84/10/78/329841078.db2.gz XYLWCUHDJDVCMD-BBWFWOEESA-N 0 0 299.458 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421513626 329841119 /nfs/dbraw/zinc/84/11/19/329841119.db2.gz XYLWCUHDJDVCMD-BRWVUGGUSA-N 0 0 299.458 5.137 20 0 CKADRN CCSc1cccc(N[C@H](C)c2ccncc2Cl)c1 ZINC000421845766 330095130 /nfs/dbraw/zinc/09/51/30/330095130.db2.gz XTCJCRUADFILRN-LLVKDONJSA-N 0 0 292.835 5.020 20 0 CKADRN CCSc1cccc(N[C@@H](C)c2ccncc2Cl)c1 ZINC000421845768 330094929 /nfs/dbraw/zinc/09/49/29/330094929.db2.gz XTCJCRUADFILRN-NSHDSACASA-N 0 0 292.835 5.020 20 0 CKADRN C[C@H](Nc1ccccc1C(C)(F)F)c1ccncc1Cl ZINC000421865114 330098768 /nfs/dbraw/zinc/09/87/68/330098768.db2.gz YZMZEZZMJATNAS-JTQLQIEISA-N 0 0 296.748 5.020 20 0 CKADRN C[C@@H](Nc1ccccc1C(C)(F)F)c1ccncc1Cl ZINC000421865115 330098925 /nfs/dbraw/zinc/09/89/25/330098925.db2.gz YZMZEZZMJATNAS-SNVBAGLBSA-N 0 0 296.748 5.020 20 0 CKADRN CCCCc1nc(CNc2ccccc2C(F)F)cs1 ZINC000424561849 330376173 /nfs/dbraw/zinc/37/61/73/330376173.db2.gz BQVOCTAIZAKEDN-UHFFFAOYSA-N 0 0 296.386 5.035 20 0 CKADRN Cc1nc(C(C)C)ccc1CNc1ccccc1C(F)F ZINC000424570835 330380858 /nfs/dbraw/zinc/38/08/58/330380858.db2.gz QBOOROOXUOZUJB-UHFFFAOYSA-N 0 0 290.357 5.063 20 0 CKADRN C[C@@H](CCC(C)(C)C)C(=O)Nc1ccccc1C(F)F ZINC000425080256 329582838 /nfs/dbraw/zinc/58/28/38/329582838.db2.gz ANUCQMLULPQJEL-NSHDSACASA-N 0 0 283.362 5.025 20 0 CKADRN CC(C)c1ccsc1C(=O)Nc1ccccc1C(F)F ZINC000425645315 329592253 /nfs/dbraw/zinc/59/22/53/329592253.db2.gz LPLBNMUHRBSSIS-UHFFFAOYSA-N 0 0 295.354 5.061 20 0 CKADRN CCCCCN(C(=O)Nc1ccccc1C(F)F)C(C)C ZINC000425690994 329629262 /nfs/dbraw/zinc/62/92/62/329629262.db2.gz HTZSLVLPNWHHBE-UHFFFAOYSA-N 0 0 298.377 5.057 20 0 CKADRN COCc1cccc(N[C@@H](C)c2cc3ccc(C)cc3o2)c1 ZINC000426057692 328539459 /nfs/dbraw/zinc/53/94/59/328539459.db2.gz BKHPLFXUHAAZCJ-AWEZNQCLSA-N 0 0 295.382 5.061 20 0 CKADRN COCc1cccc(N[C@H](C)c2cc3ccc(C)cc3o2)c1 ZINC000426057693 328539667 /nfs/dbraw/zinc/53/96/67/328539667.db2.gz BKHPLFXUHAAZCJ-CQSZACIVSA-N 0 0 295.382 5.061 20 0 CKADRN CO[C@H](C)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000426190581 328005218 /nfs/dbraw/zinc/00/52/18/328005218.db2.gz QEMKYBSHSIVXBK-CYBMUJFWSA-N 0 0 295.407 5.185 20 0 CKADRN CO[C@@H](C)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000426190593 328005236 /nfs/dbraw/zinc/00/52/36/328005236.db2.gz QEMKYBSHSIVXBK-ZDUSSCGKSA-N 0 0 295.407 5.185 20 0 CKADRN CO[C@@H](C)c1nc(-c2sc3ccccc3c2C)cs1 ZINC000426195026 330501327 /nfs/dbraw/zinc/50/13/27/330501327.db2.gz DERLFGUBYJJKNJ-JTQLQIEISA-N 0 0 289.425 5.041 20 0 CKADRN Cc1ccoc1C[NH2+][C@H](C)c1cccc(-c2ccccc2)c1 ZINC000426287498 260331830 /nfs/dbraw/zinc/33/18/30/260331830.db2.gz AAPZYJVTWRJGLC-MRXNPFEDSA-N 0 0 291.394 5.106 20 0 CKADRN Cc1ccccc1[C@H](C)Nc1cccc(-c2ncco2)c1C ZINC000427457730 327380374 /nfs/dbraw/zinc/38/03/74/327380374.db2.gz LKKQZYSMZONJTC-HNNXBMFYSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1ccccc1[C@@H](C)Nc1cccc(-c2ncco2)c1C ZINC000427457732 327380454 /nfs/dbraw/zinc/38/04/54/327380454.db2.gz LKKQZYSMZONJTC-OAHLLOKOSA-N 0 0 292.382 5.132 20 0 CKADRN O=C(CC1CCCCCC1)Nc1ccccc1C(F)(F)F ZINC000427493499 260751509 /nfs/dbraw/zinc/75/15/09/260751509.db2.gz VUEZYKBBTPUDFR-UHFFFAOYSA-N 0 0 299.336 5.004 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)C2(CC)CC2)c(C)c1 ZINC000427664306 260804135 /nfs/dbraw/zinc/80/41/35/260804135.db2.gz RLWHDPDHEQMDCX-CYBMUJFWSA-N 0 0 291.460 5.014 20 0 CKADRN Cc1cc(N[C@@H](C)c2ccccc2)ccc1-c1ccncc1 ZINC000427827352 327438594 /nfs/dbraw/zinc/43/85/94/327438594.db2.gz QVDLACAZRPMQAA-INIZCTEOSA-N 0 0 288.394 5.230 20 0 CKADRN Cc1cc(N[C@H](C)c2ccccc2)ccc1-c1ccncc1 ZINC000427827353 327438502 /nfs/dbraw/zinc/43/85/02/327438502.db2.gz QVDLACAZRPMQAA-MRXNPFEDSA-N 0 0 288.394 5.230 20 0 CKADRN C[C@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccco1 ZINC000429434686 330546443 /nfs/dbraw/zinc/54/64/43/330546443.db2.gz IDRAYWLSQIOORY-NSHDSACASA-N 0 0 297.320 5.293 20 0 CKADRN CCc1occc1C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000430403343 330567842 /nfs/dbraw/zinc/56/78/42/330567842.db2.gz GWAFOFULXQCANG-UHFFFAOYSA-N 0 0 299.414 5.341 20 0 CKADRN Cc1nc(CNc2cccc(-c3ccccc3)c2)sc1C ZINC000431088010 330578780 /nfs/dbraw/zinc/57/87/80/330578780.db2.gz VPBVSXCEIBWABO-UHFFFAOYSA-N 0 0 294.423 5.039 20 0 CKADRN CCC(CC)(CC)[S@](=O)[C@@H](C)c1cccc(Cl)c1 ZINC000431173215 330581033 /nfs/dbraw/zinc/58/10/33/330581033.db2.gz PAYFMXOJHNXYBA-KPZWWZAWSA-N 0 0 286.868 5.119 20 0 CKADRN CCC(CC)(CC)[S@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000431173216 330581064 /nfs/dbraw/zinc/58/10/64/330581064.db2.gz PAYFMXOJHNXYBA-KZULUSFZSA-N 0 0 286.868 5.119 20 0 CKADRN CCC(CC)(CC)[S@@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000431173218 330581037 /nfs/dbraw/zinc/58/10/37/330581037.db2.gz PAYFMXOJHNXYBA-XIKOKIGWSA-N 0 0 286.868 5.119 20 0 CKADRN CCC(CC)(CC)[S@@](=O)Cc1cccc2ccccc21 ZINC000431196398 330581928 /nfs/dbraw/zinc/58/19/28/330581928.db2.gz GDTPVGCDWOVILR-FQEVSTJZSA-N 0 0 288.456 5.057 20 0 CKADRN CCC(CC)(CC)[S@](=O)Cc1cccc2ccccc21 ZINC000431196399 330581919 /nfs/dbraw/zinc/58/19/19/330581919.db2.gz GDTPVGCDWOVILR-HXUWFJFHSA-N 0 0 288.456 5.057 20 0 CKADRN CCC(CC)(CC)[S@@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000431210023 330582228 /nfs/dbraw/zinc/58/22/28/330582228.db2.gz QZACPZIBJHOYRS-BEFAXECRSA-N 0 0 298.879 5.045 20 0 CKADRN CC1(C)CC(CC(=O)Nc2ccccc2-c2cccs2)C1 ZINC000431756540 330588665 /nfs/dbraw/zinc/58/86/65/330588665.db2.gz UDINBNWQHCPYEV-UHFFFAOYSA-N 0 0 299.439 5.180 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)NC(C)(C)C(C)(C)C ZINC000432495172 330599705 /nfs/dbraw/zinc/59/97/05/330599705.db2.gz QSFWHTVRILXDHO-UHFFFAOYSA-N 0 0 290.451 5.065 20 0 CKADRN Cc1ccc(Cl)c(NC(=O)CCCC(C)(C)C)c1C ZINC000434010844 330633856 /nfs/dbraw/zinc/63/38/56/330633856.db2.gz GHSOKIMSMGOLNY-UHFFFAOYSA-N 0 0 281.827 5.112 20 0 CKADRN C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1 ZINC000435920615 330665282 /nfs/dbraw/zinc/66/52/82/330665282.db2.gz LWRUBBGOJILIIT-LLVKDONJSA-N 0 0 279.305 5.111 20 0 CKADRN C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1 ZINC000435920616 330665284 /nfs/dbraw/zinc/66/52/84/330665284.db2.gz LWRUBBGOJILIIT-NSHDSACASA-N 0 0 279.305 5.111 20 0 CKADRN C[C@H](Nc1cccc(C(C)(F)F)c1)c1c(F)cccc1F ZINC000435931619 330665476 /nfs/dbraw/zinc/66/54/76/330665476.db2.gz XXNNUPDZUIYHQN-JTQLQIEISA-N 0 0 297.295 5.250 20 0 CKADRN C[C@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1F ZINC000435931707 330665542 /nfs/dbraw/zinc/66/55/42/330665542.db2.gz YZOMPAPECRCYTR-JTQLQIEISA-N 0 0 297.295 5.250 20 0 CKADRN C[C@@H](Nc1cccc(C(C)(F)F)c1)c1ccc(F)cc1F ZINC000435931708 330665671 /nfs/dbraw/zinc/66/56/71/330665671.db2.gz YZOMPAPECRCYTR-SNVBAGLBSA-N 0 0 297.295 5.250 20 0 CKADRN C[C@H](Nc1cccc(C(C)(F)F)c1)c1cc(F)ccc1F ZINC000435941857 330666122 /nfs/dbraw/zinc/66/61/22/330666122.db2.gz LJSRKEBJEBFMGW-JTQLQIEISA-N 0 0 297.295 5.250 20 0 CKADRN C[C@@H](Nc1cccc(C(C)(F)F)c1)c1cc(F)ccc1F ZINC000435941858 330666123 /nfs/dbraw/zinc/66/61/23/330666123.db2.gz LJSRKEBJEBFMGW-SNVBAGLBSA-N 0 0 297.295 5.250 20 0 CKADRN Cc1cc(C(=O)Nc2ccc(C(C)C)cc2C(C)C)co1 ZINC000436083726 330668591 /nfs/dbraw/zinc/66/85/91/330668591.db2.gz CCVLJJFASYBJLJ-UHFFFAOYSA-N 0 0 285.387 5.087 20 0 CKADRN c1cc(-c2ccc(CSc3ccncc3)cc2)cs1 ZINC000436184971 330670316 /nfs/dbraw/zinc/67/03/16/330670316.db2.gz DUQNBMJMYRRBDU-UHFFFAOYSA-N 0 0 283.421 5.102 20 0 CKADRN Cc1occc1SCc1nc(-c2ccccc2)cs1 ZINC000436209756 330671012 /nfs/dbraw/zinc/67/10/12/330671012.db2.gz XYPOYMVKYZKNJK-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN CSc1ccc(CNc2cccc(C(C)(F)F)c2)cc1 ZINC000436410208 330677028 /nfs/dbraw/zinc/67/70/28/330677028.db2.gz LTCMFSCNPKTGLW-UHFFFAOYSA-N 0 0 293.382 5.132 20 0 CKADRN C[C@H]1C[C@@H]1c1ccc(CNc2cccc(C(C)(F)F)c2)o1 ZINC000436413709 330677106 /nfs/dbraw/zinc/67/71/06/330677106.db2.gz UNYHDTLHOYGZGV-NHYWBVRUSA-N 0 0 291.341 5.127 20 0 CKADRN Cc1nc(C(C)C)oc1CSc1ccc(C)c(C)c1 ZINC000436474327 330678247 /nfs/dbraw/zinc/67/82/47/330678247.db2.gz LBRWFWAIJCPKFP-UHFFFAOYSA-N 0 0 275.417 5.016 20 0 CKADRN Cc1nc(C(C)C)oc1CSCc1ccccc1Cl ZINC000436474490 330678206 /nfs/dbraw/zinc/67/82/06/330678206.db2.gz JSYABDRKMHDXPR-UHFFFAOYSA-N 0 0 295.835 5.193 20 0 CKADRN Cc1nc(C(C)C)oc1CSc1ccc(C)cc1C ZINC000436474557 330678296 /nfs/dbraw/zinc/67/82/96/330678296.db2.gz LSDWHQWTZHWKEZ-UHFFFAOYSA-N 0 0 275.417 5.016 20 0 CKADRN Cc1nc(C(C)C)oc1CSc1cc(C)ccc1C ZINC000436475179 330678287 /nfs/dbraw/zinc/67/82/87/330678287.db2.gz NHQKRDJWTRHGSN-UHFFFAOYSA-N 0 0 275.417 5.016 20 0 CKADRN Cc1nc(C(C)C)oc1CSCc1ccc(Cl)cc1 ZINC000436475690 330678280 /nfs/dbraw/zinc/67/82/80/330678280.db2.gz PCHOBPOTARQIDN-UHFFFAOYSA-N 0 0 295.835 5.193 20 0 CKADRN C[C@H](CCCC(F)(F)F)Nc1cccc(C(C)(F)F)c1 ZINC000437037876 330691652 /nfs/dbraw/zinc/69/16/52/330691652.db2.gz JUMPLTYKTOMEOG-SNVBAGLBSA-N 0 0 295.295 5.331 20 0 CKADRN CCOCCCS[C@H](C)c1ccc2ccccc2c1 ZINC000437267581 330696437 /nfs/dbraw/zinc/69/64/37/330696437.db2.gz IYKVJRILCMJWSA-CQSZACIVSA-N 0 0 274.429 5.061 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)c2cc(F)ccc2F)s1 ZINC000437270308 330696648 /nfs/dbraw/zinc/69/66/48/330696648.db2.gz DDNNCJNKHAAHRU-VIFPVBQESA-N 0 0 299.411 5.033 20 0 CKADRN CCc1nc(CS[C@@H](C)c2cccc(C)c2)cs1 ZINC000437272910 330696753 /nfs/dbraw/zinc/69/67/53/330696753.db2.gz YITURERRUSCMBS-LBPRGKRZSA-N 0 0 277.458 5.008 20 0 CKADRN CC[C@H](SC)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000437277904 330696832 /nfs/dbraw/zinc/69/68/32/330696832.db2.gz RVUUMIMZBIKGRF-INIZCTEOSA-N 0 0 293.476 5.014 20 0 CKADRN CC[C@@H](SC)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000437277906 330696814 /nfs/dbraw/zinc/69/68/14/330696814.db2.gz RVUUMIMZBIKGRF-MRXNPFEDSA-N 0 0 293.476 5.014 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000437279277 330696918 /nfs/dbraw/zinc/69/69/18/330696918.db2.gz WPNSVZBPJZIRSM-VIFPVBQESA-N 0 0 299.411 5.033 20 0 CKADRN Cc1nc(C)c(CS[C@H](C)c2ccc(F)cc2F)s1 ZINC000437279714 330696956 /nfs/dbraw/zinc/69/69/56/330696956.db2.gz DTVABQQGVSHXCF-SECBINFHSA-N 0 0 299.411 5.033 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)c2ccc(F)cc2F)s1 ZINC000437279715 330696900 /nfs/dbraw/zinc/69/69/00/330696900.db2.gz DTVABQQGVSHXCF-VIFPVBQESA-N 0 0 299.411 5.033 20 0 CKADRN CCO[C@@H](C)c1nc(CSCCC2CCCC2)cs1 ZINC000437280803 330696947 /nfs/dbraw/zinc/69/69/47/330696947.db2.gz MGQNWLRHMSLSIS-LBPRGKRZSA-N 0 0 299.505 5.054 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)CCc2ccccc2)s1 ZINC000437288243 330697136 /nfs/dbraw/zinc/69/71/36/330697136.db2.gz JEMUKKOYCVQWGC-LBPRGKRZSA-N 0 0 291.485 5.014 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)c2cccc(Cl)c2)s1 ZINC000437288457 330697126 /nfs/dbraw/zinc/69/71/26/330697126.db2.gz QMBISMLJSWOLHR-JTQLQIEISA-N 0 0 297.876 5.408 20 0 CKADRN Cc1nc(C)c(CS[C@H](C)c2cccc(Cl)c2)s1 ZINC000437288467 330697172 /nfs/dbraw/zinc/69/71/72/330697172.db2.gz QMBISMLJSWOLHR-SNVBAGLBSA-N 0 0 297.876 5.408 20 0 CKADRN Cc1cccc([C@@H](C)SCc2cc(-c3ccco3)on2)c1 ZINC000437292270 330697256 /nfs/dbraw/zinc/69/72/56/330697256.db2.gz UYQILCZFCQNAHP-CYBMUJFWSA-N 0 0 299.395 5.237 20 0 CKADRN Cc1cccc([C@H](C)SCc2cc(-c3ccco3)on2)c1 ZINC000437292276 330697270 /nfs/dbraw/zinc/69/72/70/330697270.db2.gz UYQILCZFCQNAHP-ZDUSSCGKSA-N 0 0 299.395 5.237 20 0 CKADRN FC(F)(F)CCSCCc1ccc2ccccc2c1 ZINC000437444853 330699852 /nfs/dbraw/zinc/69/98/52/330699852.db2.gz ZTRAPORDJXHHAB-UHFFFAOYSA-N 0 0 284.346 5.068 20 0 CKADRN Cc1nc(C)c(CS[C@@H](C)c2cccc(C)c2)s1 ZINC000437451977 330700076 /nfs/dbraw/zinc/70/00/76/330700076.db2.gz WJOWPYDYPUFGBL-LBPRGKRZSA-N 0 0 277.458 5.063 20 0 CKADRN Cc1cccc([C@H](C)SCc2ncc(C(C)(C)C)o2)c1 ZINC000437462026 330700264 /nfs/dbraw/zinc/70/02/64/330700264.db2.gz SPUTUKRJVILQDN-ZDUSSCGKSA-N 0 0 289.444 5.275 20 0 CKADRN CCO[C@H](C)c1nc(-c2cc(C)c(C)c(C)c2C)cs1 ZINC000437646725 330705746 /nfs/dbraw/zinc/70/57/46/330705746.db2.gz BCEHZHQXFVZEBV-CQSZACIVSA-N 0 0 289.444 5.141 20 0 CKADRN CCO[C@@H](C)c1nc(-c2cc(CC)ccc2CC)cs1 ZINC000437648022 330705732 /nfs/dbraw/zinc/70/57/32/330705732.db2.gz FIMMPEJMODVLQF-LBPRGKRZSA-N 0 0 289.444 5.032 20 0 CKADRN CCO[C@H](C)c1nc(-c2ccc3ccccc3c2)cs1 ZINC000437649015 330705911 /nfs/dbraw/zinc/70/59/11/330705911.db2.gz HEJQRXBHOSSQQK-GFCCVEGCSA-N 0 0 283.396 5.061 20 0 CKADRN CCO[C@@H](C)c1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000437651162 330705856 /nfs/dbraw/zinc/70/58/56/330705856.db2.gz OINSVERASZZHHQ-LBPRGKRZSA-N 0 0 289.444 5.205 20 0 CKADRN Cc1sc(-c2ccncc2)nc1-c1ccc(C(C)C)cc1 ZINC000437653559 330706011 /nfs/dbraw/zinc/70/60/11/330706011.db2.gz KIJJOIDFACBYQA-UHFFFAOYSA-N 0 0 294.423 5.304 20 0 CKADRN CC(C)Oc1ccccc1-c1nc(C2CCCC2)cs1 ZINC000437673822 330706286 /nfs/dbraw/zinc/70/62/86/330706286.db2.gz ZZUGINHFEKAPOY-UHFFFAOYSA-N 0 0 287.428 5.255 20 0 CKADRN CC1=C(C(=O)Nc2c(C(C)C)cccc2C(C)C)CCC1 ZINC000437937880 330711479 /nfs/dbraw/zinc/71/14/79/330711479.db2.gz WGYGQMRIGCBHQA-UHFFFAOYSA-N 0 0 285.431 5.372 20 0 CKADRN CC(C)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000437954880 330711989 /nfs/dbraw/zinc/71/19/89/330711989.db2.gz OFTDIOXZNUQUBN-AWEZNQCLSA-N 0 0 299.439 5.134 20 0 CKADRN CC(C)(C)c1ccc(C(=O)Nc2ccsc2Cl)s1 ZINC000438558596 330727184 /nfs/dbraw/zinc/72/71/84/330727184.db2.gz RWHTUURXIXBRTB-UHFFFAOYSA-N 0 0 299.848 5.013 20 0 CKADRN CC/C(=C/c1nc(-c2ccsc2)no1)c1ccc(C)cc1 ZINC000438754756 330729066 /nfs/dbraw/zinc/72/90/66/330729066.db2.gz PFCWDLLEVWCRBD-RAXLEYEMSA-N 0 0 296.395 5.057 20 0 CKADRN COc1ccc2cc([C@@H](C)Sc3ccccn3)ccc2c1 ZINC000439275523 330736262 /nfs/dbraw/zinc/73/62/62/330736262.db2.gz LHPBCMFGCLTOLV-CYBMUJFWSA-N 0 0 295.407 5.097 20 0 CKADRN COc1ccc2cc([C@H](C)Sc3ccccn3)ccc2c1 ZINC000439275524 330736296 /nfs/dbraw/zinc/73/62/96/330736296.db2.gz LHPBCMFGCLTOLV-ZDUSSCGKSA-N 0 0 295.407 5.097 20 0 CKADRN Cc1nc(CNc2ccc(C(C)C)cc2C(C)C)oc1C ZINC000439545338 330740358 /nfs/dbraw/zinc/74/03/58/330740358.db2.gz DQWXOEBVJFUTGT-UHFFFAOYSA-N 0 0 286.419 5.150 20 0 CKADRN C[C@@H](Nc1ccc(Cl)cc1)c1ncc(-c2ccccc2)o1 ZINC000439546403 330740368 /nfs/dbraw/zinc/74/03/68/330740368.db2.gz IPJDGWBFMTUOGC-GFCCVEGCSA-N 0 0 298.773 5.168 20 0 CKADRN Cc1cc(C)cc(N[C@@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000439547995 330740324 /nfs/dbraw/zinc/74/03/24/330740324.db2.gz KZQAJBLHSZDOFB-HNNXBMFYSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1cc(C)cc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000439547996 330740283 /nfs/dbraw/zinc/74/02/83/330740283.db2.gz KZQAJBLHSZDOFB-OAHLLOKOSA-N 0 0 292.382 5.132 20 0 CKADRN CCc1cccc(N[C@H](C)c2ncc(-c3ccccc3)o2)c1 ZINC000439553574 330740488 /nfs/dbraw/zinc/74/04/88/330740488.db2.gz YEFXBNWRNWKYAX-CQSZACIVSA-N 0 0 292.382 5.077 20 0 CKADRN CCc1ccc(N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000439554146 330740415 /nfs/dbraw/zinc/74/04/15/330740415.db2.gz TUNVGCKLYIJHDO-AWEZNQCLSA-N 0 0 292.382 5.077 20 0 CKADRN Cc1cccc([C@H](C)Nc2cccc(COCC3CC3)c2)c1 ZINC000439567499 330740595 /nfs/dbraw/zinc/74/05/95/330740595.db2.gz HEWIPVVLIKUXLH-INIZCTEOSA-N 0 0 295.426 5.095 20 0 CKADRN Cc1cccc([C@H](C)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000439590261 330740895 /nfs/dbraw/zinc/74/08/95/330740895.db2.gz AOWVMIZNEVYXAD-ZDUSSCGKSA-N 0 0 293.332 5.273 20 0 CKADRN CCSCc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000439594245 330740874 /nfs/dbraw/zinc/74/08/74/330740874.db2.gz KFKNGSJKWSBTQI-CYBMUJFWSA-N 0 0 289.419 5.252 20 0 CKADRN CCSCc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000439594255 330740904 /nfs/dbraw/zinc/74/09/04/330740904.db2.gz KFKNGSJKWSBTQI-ZDUSSCGKSA-N 0 0 289.419 5.252 20 0 CKADRN CC[C@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000439596596 330740878 /nfs/dbraw/zinc/74/08/78/330740878.db2.gz LUFSPPZVXHKDMH-INIZCTEOSA-N 0 0 293.332 5.355 20 0 CKADRN CC[C@@H](Nc1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000439596598 330740948 /nfs/dbraw/zinc/74/09/48/330740948.db2.gz LUFSPPZVXHKDMH-MRXNPFEDSA-N 0 0 293.332 5.355 20 0 CKADRN CCSCc1cccc(N[C@@H](C)c2ccccc2)c1 ZINC000439596655 330741023 /nfs/dbraw/zinc/74/10/23/330741023.db2.gz LXQRZDTXMIWMBY-AWEZNQCLSA-N 0 0 271.429 5.113 20 0 CKADRN CCSCc1cccc(N[C@H](C)c2ccccc2F)c1 ZINC000439600175 330741009 /nfs/dbraw/zinc/74/10/09/330741009.db2.gz XYXVBMQNSQXDFF-CYBMUJFWSA-N 0 0 289.419 5.252 20 0 CKADRN CCSCc1cccc(N[C@@H](C)c2ccccc2F)c1 ZINC000439600177 330740956 /nfs/dbraw/zinc/74/09/56/330740956.db2.gz XYXVBMQNSQXDFF-ZDUSSCGKSA-N 0 0 289.419 5.252 20 0 CKADRN CCSCc1cccc(N[C@@H](C)c2ccc(F)cc2)c1 ZINC000439601290 330741005 /nfs/dbraw/zinc/74/10/05/330741005.db2.gz KTUVGBXJFAPPKP-ZDUSSCGKSA-N 0 0 289.419 5.252 20 0 CKADRN Cc1cccc([C@@H](C)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000439601989 330741010 /nfs/dbraw/zinc/74/10/10/330741010.db2.gz CXNHABKCINZJAB-CYBMUJFWSA-N 0 0 291.341 5.078 20 0 CKADRN Cc1cccc([C@H](C)Nc2ccc(C)c(OC(F)F)c2)c1 ZINC000439601990 330740947 /nfs/dbraw/zinc/74/09/47/330740947.db2.gz CXNHABKCINZJAB-ZDUSSCGKSA-N 0 0 291.341 5.078 20 0 CKADRN CC(C)c1ccc(NC(=O)CCc2ccoc2)c(C(C)C)c1 ZINC000439780910 330743031 /nfs/dbraw/zinc/74/30/31/330743031.db2.gz MEYBCRNZBPUIKS-UHFFFAOYSA-N 0 0 299.414 5.098 20 0 CKADRN CCCCN(C(=O)Nc1ccc(C)s1)C1CCCCC1 ZINC000440774526 330756046 /nfs/dbraw/zinc/75/60/46/330756046.db2.gz YATWZZSPFPPGLI-UHFFFAOYSA-N 0 0 294.464 5.023 20 0 CKADRN Cc1cc(C)c(NC(=O)CC[C@@H](C)c2ccccc2)c(C)c1 ZINC000441281341 330764919 /nfs/dbraw/zinc/76/49/19/330764919.db2.gz FOZYNTRVFHCQLW-OAHLLOKOSA-N 0 0 295.426 5.134 20 0 CKADRN CCSc1cccc(NC2CCC(C(F)F)CC2)c1 ZINC000442861349 330787875 /nfs/dbraw/zinc/78/78/75/330787875.db2.gz XRUSRSZZSSRZJB-UHFFFAOYSA-N 0 0 285.403 5.034 20 0 CKADRN CC(F)(F)c1cccc(NC2CCC(C(F)F)CC2)c1 ZINC000442861789 330787986 /nfs/dbraw/zinc/78/79/86/330787986.db2.gz YNJNTXALPSTTTB-UHFFFAOYSA-N 0 0 289.316 5.034 20 0 CKADRN CCC[C@H](Nc1ccc(COCC)cc1)c1ccsc1 ZINC000443083899 330794044 /nfs/dbraw/zinc/79/40/44/330794044.db2.gz DYMDQYTYADZYJB-KRWDZBQOSA-N 0 0 289.444 5.238 20 0 CKADRN CCC[C@@H](Nc1ccc(COCC)cc1)c1ccsc1 ZINC000443083900 330794184 /nfs/dbraw/zinc/79/41/84/330794184.db2.gz DYMDQYTYADZYJB-QGZVFWFLSA-N 0 0 289.444 5.238 20 0 CKADRN CCC[C@H](Nc1cccc(COCC)c1)c1ccsc1 ZINC000443087687 330794304 /nfs/dbraw/zinc/79/43/04/330794304.db2.gz QPKMLSJYUSGADW-KRWDZBQOSA-N 0 0 289.444 5.238 20 0 CKADRN CCC[C@H](N[C@H](C)c1c(F)cccc1F)c1ccsc1 ZINC000443093184 330794631 /nfs/dbraw/zinc/79/46/31/330794631.db2.gz LULPVPYRVXJKFT-ABAIWWIYSA-N 0 0 295.398 5.218 20 0 CKADRN CCC[C@@H](N[C@@H](C)c1c(F)cccc1F)c1ccsc1 ZINC000443093187 330794516 /nfs/dbraw/zinc/79/45/16/330794516.db2.gz LULPVPYRVXJKFT-XHDPSFHLSA-N 0 0 295.398 5.218 20 0 CKADRN CCC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1 ZINC000443098176 330794752 /nfs/dbraw/zinc/79/47/52/330794752.db2.gz ZDPDYWUJORIJMK-GUYCJALGSA-N 0 0 289.444 5.409 20 0 CKADRN CCC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1 ZINC000443098177 330794729 /nfs/dbraw/zinc/79/47/29/330794729.db2.gz ZDPDYWUJORIJMK-SUMWQHHRSA-N 0 0 289.444 5.409 20 0 CKADRN CCC[C@H](Nc1ccc2cnn(CC)c2c1)c1ccsc1 ZINC000443100338 330794793 /nfs/dbraw/zinc/79/47/93/330794793.db2.gz FKQWJLPRBBZYHW-INIZCTEOSA-N 0 0 299.443 5.071 20 0 CKADRN C[C@@H](SCc1ccccc1F)c1ncc(C(C)(C)C)o1 ZINC000443187804 267386830 /nfs/dbraw/zinc/38/68/30/267386830.db2.gz DIKIJPGTSZSCJL-LLVKDONJSA-N 0 0 293.407 5.106 20 0 CKADRN C[C@H](SCc1ccccc1F)c1ncc(C(C)(C)C)o1 ZINC000443187806 267386993 /nfs/dbraw/zinc/38/69/93/267386993.db2.gz DIKIJPGTSZSCJL-NSHDSACASA-N 0 0 293.407 5.106 20 0 CKADRN C[C@@H](SCc1ccc(F)cc1)c1ncc(C(C)(C)C)o1 ZINC000443188899 330796213 /nfs/dbraw/zinc/79/62/13/330796213.db2.gz IFCBTWDSSBBFGQ-LLVKDONJSA-N 0 0 293.407 5.106 20 0 CKADRN C[C@@H](SCc1cccc(F)c1)c1ncc(C(C)(C)C)o1 ZINC000443197160 330796441 /nfs/dbraw/zinc/79/64/41/330796441.db2.gz KMOPDXGHYQJNFG-LLVKDONJSA-N 0 0 293.407 5.106 20 0 CKADRN CCc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)o1 ZINC000443224898 330797409 /nfs/dbraw/zinc/79/74/09/330797409.db2.gz RDKSLDVKNPZSLE-CHWSQXEVSA-N 0 0 283.371 5.000 20 0 CKADRN CCCC(CCC)[S@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000443400229 330798903 /nfs/dbraw/zinc/79/89/03/330798903.db2.gz VCTHHQJLRATRSW-APWZRJJASA-N 0 0 298.879 5.045 20 0 CKADRN CCCC(CCC)[S@@](=O)[C@H]1CCc2c1cccc2Cl ZINC000443400233 330798908 /nfs/dbraw/zinc/79/89/08/330798908.db2.gz VCTHHQJLRATRSW-QFBILLFUSA-N 0 0 298.879 5.045 20 0 CKADRN CC(C)(C)Oc1ccccc1NCCCCC(F)(F)F ZINC000443459884 330799881 /nfs/dbraw/zinc/79/98/81/330799881.db2.gz HXXKFMZMEVUCKN-UHFFFAOYSA-N 0 0 289.341 5.008 20 0 CKADRN CCc1cccc(CC)c1NC(=O)CCCC1CCCC1 ZINC000443821381 330806198 /nfs/dbraw/zinc/80/61/98/330806198.db2.gz ISBZSWUEOGRBSY-UHFFFAOYSA-N 0 0 287.447 5.110 20 0 CKADRN CC(C)N(C(=O)c1cccc2ccccc21)C1CCCCC1 ZINC000443866075 330806877 /nfs/dbraw/zinc/80/68/77/330806877.db2.gz FOURFARVLRMPSF-UHFFFAOYSA-N 0 0 295.426 5.023 20 0 CKADRN CCCc1ccccc1NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000443879330 330807131 /nfs/dbraw/zinc/80/71/31/330807131.db2.gz SAYWVKZTCKCBIE-LJQANCHMSA-N 0 0 295.426 5.017 20 0 CKADRN Cc1cccc(C)c1NC(=O)Nc1cccc2ccsc21 ZINC000443882213 330807087 /nfs/dbraw/zinc/80/70/87/330807087.db2.gz WSHNKMMNVHDXKQ-UHFFFAOYSA-N 0 0 296.395 5.162 20 0 CKADRN Cc1ccc(C)c(NCc2csc(C3CCCC3)n2)c1 ZINC000444423008 330812469 /nfs/dbraw/zinc/81/24/69/330812469.db2.gz OTACZSAUGJRHMZ-UHFFFAOYSA-N 0 0 286.444 5.030 20 0 CKADRN Cc1cccc(C)c1NCc1csc(C2CCCC2)n1 ZINC000444423590 330812514 /nfs/dbraw/zinc/81/25/14/330812514.db2.gz RWRLEVCBOSMIFP-UHFFFAOYSA-N 0 0 286.444 5.030 20 0 CKADRN CC[C@H](CC1CCCC1)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444448027 330812888 /nfs/dbraw/zinc/81/28/88/330812888.db2.gz JLIROOHGXKCJQP-OAHLLOKOSA-N 0 0 298.430 5.021 20 0 CKADRN Cc1cc2cc[nH]c2cc1NC(=O)C1(CC(C)C)CCCC1 ZINC000444450544 330812941 /nfs/dbraw/zinc/81/29/41/330812941.db2.gz RTHMDHAPLVJVEG-UHFFFAOYSA-N 0 0 298.430 5.021 20 0 CKADRN Cc1c2cc(C)ccc2sc1C(=O)Nc1ccccc1C ZINC000445249124 262731681 /nfs/dbraw/zinc/73/16/81/262731681.db2.gz KZEJFDUTFHFOFZ-UHFFFAOYSA-N 0 0 295.407 5.079 20 0 CKADRN Cc1oncc1CSC(c1ccccc1)c1ccccc1 ZINC000445604514 330832687 /nfs/dbraw/zinc/83/26/87/330832687.db2.gz KRRDVLYADACQOW-UHFFFAOYSA-N 0 0 295.407 5.006 20 0 CKADRN CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1cccc(F)c1 ZINC000446890764 330857277 /nfs/dbraw/zinc/85/72/77/330857277.db2.gz PBVXBBLIPIPDBA-ACJLOTCBSA-N 0 0 287.378 5.096 20 0 CKADRN CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1cccc(F)c1 ZINC000446890766 330857364 /nfs/dbraw/zinc/85/73/64/330857364.db2.gz PBVXBBLIPIPDBA-SCLBCKFNSA-N 0 0 287.378 5.096 20 0 CKADRN C[C@@H](SCc1nccs1)c1ccc2ccccc2c1 ZINC000446954240 330858594 /nfs/dbraw/zinc/85/85/94/330858594.db2.gz MCJNVMLBNYMRBU-GFCCVEGCSA-N 0 0 285.437 5.291 20 0 CKADRN c1csc(-c2csc(-c3cccc4ccccc43)n2)n1 ZINC000447176106 330862582 /nfs/dbraw/zinc/86/25/82/330862582.db2.gz JAOGFLOOFYBXID-UHFFFAOYSA-N 0 0 294.404 5.087 20 0 CKADRN Clc1ccc2ccc(/C=C/C=C\c3ccncc3)nc2c1 ZINC000447353190 330865402 /nfs/dbraw/zinc/86/54/02/330865402.db2.gz DRMIRXHOWHZRNG-HSFFGMMNSA-N 0 0 292.769 5.010 20 0 CKADRN Clc1ccc2sc(/C=C/C=C\c3ccncc3)nc2c1 ZINC000447366440 330865699 /nfs/dbraw/zinc/86/56/99/330865699.db2.gz KLXYHVKCSGOOCV-HSFFGMMNSA-N 0 0 298.798 5.071 20 0 CKADRN Clc1ccc2sc(/C=C/C=C/c3ccncc3)nc2c1 ZINC000447366447 330865694 /nfs/dbraw/zinc/86/56/94/330865694.db2.gz KLXYHVKCSGOOCV-ZPUQHVIOSA-N 0 0 298.798 5.071 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)c(C)o1 ZINC000447603898 330873233 /nfs/dbraw/zinc/87/32/33/330873233.db2.gz ZGLHGKMJZQTKGI-LLVKDONJSA-N 0 0 296.370 5.088 20 0 CKADRN CCC(C)(C)c1ccc(N[C@H](C)c2nccs2)cc1 ZINC000448023811 260577643 /nfs/dbraw/zinc/57/76/43/260577643.db2.gz VDIGGTXSKVDAGR-GFCCVEGCSA-N 0 0 274.433 5.004 20 0 CKADRN COc1ccc2cc([C@H](C)Sc3ccncc3)ccc2c1 ZINC000448101386 260835435 /nfs/dbraw/zinc/83/54/35/260835435.db2.gz NRBUNYJUMHTWAN-ZDUSSCGKSA-N 0 0 295.407 5.097 20 0 CKADRN C[C@@H](Sc1ccncc1)c1ccc2ccccc2c1 ZINC000448101750 260836244 /nfs/dbraw/zinc/83/62/44/260836244.db2.gz FVNGBCSKSAPRRE-CYBMUJFWSA-N 0 0 265.381 5.088 20 0 CKADRN Cc1cc2ccccc2c(NCc2scnc2C2CC2)c1 ZINC000449414862 330923895 /nfs/dbraw/zinc/92/38/95/330923895.db2.gz XUSJSXPGTXAQGO-UHFFFAOYSA-N 0 0 294.423 5.094 20 0 CKADRN CSc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000450094930 330961203 /nfs/dbraw/zinc/96/12/03/330961203.db2.gz ZBXFJDKPOJUWCS-UHFFFAOYSA-N 0 0 299.439 5.093 20 0 CKADRN CC(C)CCCC(=O)Nc1cccc(C(F)F)c1Cl ZINC000450842573 331002363 /nfs/dbraw/zinc/00/23/63/331002363.db2.gz MROCWOIRWHIWSY-UHFFFAOYSA-N 0 0 289.753 5.042 20 0 CKADRN C[C@H](CSC1CCC(C(F)(F)F)CC1)C(F)(F)F ZINC000451039773 331013028 /nfs/dbraw/zinc/01/30/28/331013028.db2.gz ZMKKFJXOGHFWNH-AFPNSQJFSA-N 0 0 294.304 5.039 20 0 CKADRN C[C@@H](CSC1CCC(C(F)(F)F)CC1)C(F)(F)F ZINC000451039776 331013046 /nfs/dbraw/zinc/01/30/46/331013046.db2.gz ZMKKFJXOGHFWNH-UEJVZZJDSA-N 0 0 294.304 5.039 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000451293997 331023554 /nfs/dbraw/zinc/02/35/54/331023554.db2.gz IOWKOPHNXURIFX-RYRKJORJSA-N 0 0 299.458 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000451293999 331023629 /nfs/dbraw/zinc/02/36/29/331023629.db2.gz IOWKOPHNXURIFX-XYJFISCASA-N 0 0 299.458 5.137 20 0 CKADRN Cc1nc(C(C)C)ccc1CNc1cccc(C(F)F)c1 ZINC000453086174 331087809 /nfs/dbraw/zinc/08/78/09/331087809.db2.gz PIAXLWNEQJPJBA-UHFFFAOYSA-N 0 0 290.357 5.063 20 0 CKADRN CC[C@@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1 ZINC000453184022 331098393 /nfs/dbraw/zinc/09/83/93/331098393.db2.gz IZZCNCYPZBBTOQ-BLLLJJGKSA-N 0 0 275.417 5.019 20 0 CKADRN CC[C@H](Nc1cccc([C@H](C)OC)c1)c1ccsc1 ZINC000453184025 263198737 /nfs/dbraw/zinc/19/87/37/263198737.db2.gz IZZCNCYPZBBTOQ-LRDDRELGSA-N 0 0 275.417 5.019 20 0 CKADRN CC[C@@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1 ZINC000453184031 263198731 /nfs/dbraw/zinc/19/87/31/263198731.db2.gz IZZCNCYPZBBTOQ-MLGOLLRUSA-N 0 0 275.417 5.019 20 0 CKADRN CC[C@H](Nc1cccc([C@@H](C)OC)c1)c1ccsc1 ZINC000453184042 263200076 /nfs/dbraw/zinc/20/00/76/263200076.db2.gz IZZCNCYPZBBTOQ-WBMJQRKESA-N 0 0 275.417 5.019 20 0 CKADRN CC[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccncc1 ZINC000453199266 331100400 /nfs/dbraw/zinc/10/04/00/331100400.db2.gz XIZPQEFJLPBHIV-GFCCVEGCSA-N 0 0 296.748 5.236 20 0 CKADRN CC[C@H](Nc1cccc(C(F)F)c1Cl)c1ccncc1 ZINC000453199267 331100471 /nfs/dbraw/zinc/10/04/71/331100471.db2.gz XIZPQEFJLPBHIV-LBPRGKRZSA-N 0 0 296.748 5.236 20 0 CKADRN Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)cs1 ZINC000453243103 331106480 /nfs/dbraw/zinc/10/64/80/331106480.db2.gz RDJJPGGHWMNUGW-GFCCVEGCSA-N 0 0 295.398 5.019 20 0 CKADRN Cc1cc([C@H](C)[NH2+]Cc2ccc(C(C)(F)F)cc2)cs1 ZINC000453243115 331106411 /nfs/dbraw/zinc/10/64/11/331106411.db2.gz RDJJPGGHWMNUGW-LBPRGKRZSA-N 0 0 295.398 5.019 20 0 CKADRN C[C@H](Nc1ccccc1C(C)(F)F)c1cccs1 ZINC000453279218 331110302 /nfs/dbraw/zinc/11/03/02/331110302.db2.gz AEUPUKNWVQHCEU-JTQLQIEISA-N 0 0 267.344 5.033 20 0 CKADRN C[C@@H](Nc1ccccc1C(C)(F)F)c1cccs1 ZINC000453279219 331110418 /nfs/dbraw/zinc/11/04/18/331110418.db2.gz AEUPUKNWVQHCEU-SNVBAGLBSA-N 0 0 267.344 5.033 20 0 CKADRN C[C@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)cn1 ZINC000453297789 331112685 /nfs/dbraw/zinc/11/26/85/331112685.db2.gz SBEIKEGWXVQWIJ-JTQLQIEISA-N 0 0 296.748 5.020 20 0 CKADRN C[C@@H](Nc1ccccc1C(C)(F)F)c1ccc(Cl)cn1 ZINC000453297790 263222969 /nfs/dbraw/zinc/22/29/69/263222969.db2.gz SBEIKEGWXVQWIJ-SNVBAGLBSA-N 0 0 296.748 5.020 20 0 CKADRN C[C@H](Nc1ccccc1C(C)(F)F)c1ccsc1 ZINC000453301800 331113297 /nfs/dbraw/zinc/11/32/97/331113297.db2.gz XUTISPRBBGFELO-JTQLQIEISA-N 0 0 267.344 5.033 20 0 CKADRN C[C@@H](Nc1ccccc1C(C)(F)F)c1ccsc1 ZINC000453301802 331113360 /nfs/dbraw/zinc/11/33/60/331113360.db2.gz XUTISPRBBGFELO-SNVBAGLBSA-N 0 0 267.344 5.033 20 0 CKADRN Cc1nc(C)c([C@H](C)Nc2ccccc2C(C)(F)F)s1 ZINC000453302244 331113296 /nfs/dbraw/zinc/11/32/96/331113296.db2.gz YHWSWOTXLSQEQD-JTQLQIEISA-N 0 0 296.386 5.045 20 0 CKADRN Cc1nc(C)c([C@@H](C)Nc2ccccc2C(C)(F)F)s1 ZINC000453302245 331113323 /nfs/dbraw/zinc/11/33/23/331113323.db2.gz YHWSWOTXLSQEQD-SNVBAGLBSA-N 0 0 296.386 5.045 20 0 CKADRN COc1ccsc1[C@H](C)Nc1ccccc1C(C)(F)F ZINC000453302287 331113396 /nfs/dbraw/zinc/11/33/96/331113396.db2.gz YOVZQGRKCOMQCL-JTQLQIEISA-N 0 0 297.370 5.042 20 0 CKADRN COc1ccsc1[C@@H](C)Nc1ccccc1C(C)(F)F ZINC000453302288 331113363 /nfs/dbraw/zinc/11/33/63/331113363.db2.gz YOVZQGRKCOMQCL-SNVBAGLBSA-N 0 0 297.370 5.042 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)C1CCC1 ZINC000457759700 331233535 /nfs/dbraw/zinc/23/35/35/331233535.db2.gz VZORVNLTJCFWNS-AWEZNQCLSA-N 0 0 287.447 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)C1CCC1 ZINC000457759702 331233506 /nfs/dbraw/zinc/23/35/06/331233506.db2.gz VZORVNLTJCFWNS-CQSZACIVSA-N 0 0 287.447 5.137 20 0 CKADRN CC[C@@H](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000460030042 331304531 /nfs/dbraw/zinc/30/45/31/331304531.db2.gz NZBNRQWWDRPUCU-SSDOTTSWSA-N 0 0 294.609 5.022 20 0 CKADRN CC[C@H](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000460030054 331304517 /nfs/dbraw/zinc/30/45/17/331304517.db2.gz NZBNRQWWDRPUCU-ZETCQYMHSA-N 0 0 294.609 5.022 20 0 CKADRN CCC(CC)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000460246419 331308660 /nfs/dbraw/zinc/30/86/60/331308660.db2.gz PASRYESTNPKDCC-UHFFFAOYSA-N 0 0 293.476 5.011 20 0 CKADRN CCC(C)(C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000460249453 261300640 /nfs/dbraw/zinc/30/06/40/261300640.db2.gz AHHGDUYLVWMZOC-UHFFFAOYSA-N 0 0 293.476 5.011 20 0 CKADRN Cc1c(CSC(C)C)cccc1NC(=O)CCC(C)C ZINC000460262474 331308705 /nfs/dbraw/zinc/30/87/05/331308705.db2.gz SPAGRINLTULJBD-UHFFFAOYSA-N 0 0 293.476 5.011 20 0 CKADRN Cc1nc(CSCc2ccc(C(F)F)cc2)c(C)s1 ZINC000460779351 261745296 /nfs/dbraw/zinc/74/52/96/261745296.db2.gz CVNNRSUYIKIJJQ-UHFFFAOYSA-N 0 0 299.411 5.131 20 0 CKADRN CC[C@@H](N[C@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094236 331311455 /nfs/dbraw/zinc/31/14/55/331311455.db2.gz KPJAUSSYDVNNNP-BXUZGUMPSA-N 0 0 295.785 5.182 20 0 CKADRN CC[C@H](N[C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094237 331311412 /nfs/dbraw/zinc/31/14/12/331311412.db2.gz KPJAUSSYDVNNNP-FZMZJTMJSA-N 0 0 295.785 5.182 20 0 CKADRN CC[C@H](N[C@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094238 331311410 /nfs/dbraw/zinc/31/14/10/331311410.db2.gz KPJAUSSYDVNNNP-RISCZKNCSA-N 0 0 295.785 5.182 20 0 CKADRN CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1cccc(Cl)c1F ZINC000461094239 331311351 /nfs/dbraw/zinc/31/13/51/331311351.db2.gz KPJAUSSYDVNNNP-SMDDNHRTSA-N 0 0 295.785 5.182 20 0 CKADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1nc2ccccc2o1 ZINC000461099104 331311438 /nfs/dbraw/zinc/31/14/38/331311438.db2.gz CTJJCCWOFVFSFK-CYBMUJFWSA-N 0 0 292.382 5.268 20 0 CKADRN C[C@H](Nc1cccc(C2CCC2)c1)c1nc2ccccc2o1 ZINC000461099105 331311355 /nfs/dbraw/zinc/31/13/55/331311355.db2.gz CTJJCCWOFVFSFK-ZDUSSCGKSA-N 0 0 292.382 5.268 20 0 CKADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1ncc(C(C)(C)C)o1 ZINC000461099927 331311363 /nfs/dbraw/zinc/31/13/63/331311363.db2.gz GYQVMDMTAXBEIT-CYBMUJFWSA-N 0 0 298.430 5.413 20 0 CKADRN C[C@H](Nc1cccc(C2CCC2)c1)c1ncc(C(C)(C)C)o1 ZINC000461099928 331311444 /nfs/dbraw/zinc/31/14/44/331311444.db2.gz GYQVMDMTAXBEIT-ZDUSSCGKSA-N 0 0 298.430 5.413 20 0 CKADRN C[C@@H](SCc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000461238978 331312004 /nfs/dbraw/zinc/31/20/04/331312004.db2.gz HKLGRBQJDNNSQU-LLVKDONJSA-N 0 0 297.345 5.095 20 0 CKADRN C[C@H](SCc1cncc(C(F)(F)F)c1)c1ccccc1 ZINC000461238979 331312022 /nfs/dbraw/zinc/31/20/22/331312022.db2.gz HKLGRBQJDNNSQU-NSHDSACASA-N 0 0 297.345 5.095 20 0 CKADRN Nc1ccc(SCc2ccc(C(F)F)cc2)c(Cl)c1 ZINC000461402089 331313027 /nfs/dbraw/zinc/31/30/27/331313027.db2.gz BLZDJRDHXIDDCQ-UHFFFAOYSA-N 0 0 299.773 5.152 20 0 CKADRN CC(C)(C)c1cnc(SCc2ccc(C(F)F)cc2)o1 ZINC000461410991 331313139 /nfs/dbraw/zinc/31/31/39/331313139.db2.gz KOONKMHZVPCSOA-UHFFFAOYSA-N 0 0 297.370 5.202 20 0 CKADRN FC(F)c1ccc(CSc2nc3ccccc3o2)cc1 ZINC000461416565 331313203 /nfs/dbraw/zinc/31/32/03/331313203.db2.gz HWXORVDELQMLHH-UHFFFAOYSA-N 0 0 291.322 5.058 20 0 CKADRN FCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000461529386 331313679 /nfs/dbraw/zinc/31/36/79/331313679.db2.gz LQQLARLRZLIZDK-UHFFFAOYSA-N 0 0 299.370 5.070 20 0 CKADRN Cc1csc(CSc2c(Cl)cccc2Cl)n1 ZINC000461542747 331313769 /nfs/dbraw/zinc/31/37/69/331313769.db2.gz KNHGBCSRUQEUDD-UHFFFAOYSA-N 0 0 290.240 5.051 20 0 CKADRN Cc1nc(CSc2ccc(C(C)C)cc2)sc1C ZINC000461544717 331313806 /nfs/dbraw/zinc/31/38/06/331313806.db2.gz LLAUQZUPJNQFFC-UHFFFAOYSA-N 0 0 277.458 5.176 20 0 CKADRN Cc1nc(CSc2ccc3ccccc3c2)sc1C ZINC000461547115 331313748 /nfs/dbraw/zinc/31/37/48/331313748.db2.gz WRNGQPZGFRWGCI-UHFFFAOYSA-N 0 0 285.437 5.205 20 0 CKADRN Cc1csc(CSc2cc(Cl)ccc2Cl)n1 ZINC000461547299 331313791 /nfs/dbraw/zinc/31/37/91/331313791.db2.gz COHBOQIKQPDMDG-UHFFFAOYSA-N 0 0 290.240 5.051 20 0 CKADRN c1cnc2c(c1)cccc2CNc1cccc(C2CCC2)c1 ZINC000461727470 331314169 /nfs/dbraw/zinc/31/41/69/331314169.db2.gz PCKVTCAYLAWKSJ-UHFFFAOYSA-N 0 0 288.394 5.114 20 0 CKADRN CC(C)c1nc(CNc2cccc(C3CCC3)c2)cs1 ZINC000461728517 331314216 /nfs/dbraw/zinc/31/42/16/331314216.db2.gz OVMHVVHYLXDRJC-UHFFFAOYSA-N 0 0 286.444 5.146 20 0 CKADRN c1cnc2ccc(CNc3cccc(C4CCC4)c3)cc2c1 ZINC000461738769 331314281 /nfs/dbraw/zinc/31/42/81/331314281.db2.gz UIZBBGQLPBOJNZ-UHFFFAOYSA-N 0 0 288.394 5.114 20 0 CKADRN FC(F)(F)Cc1ccccc1NCc1ccc(Cl)cc1 ZINC000462170384 331318061 /nfs/dbraw/zinc/31/80/61/331318061.db2.gz KAJTWOQXPNNUAV-UHFFFAOYSA-N 0 0 299.723 5.057 20 0 CKADRN Cc1cccc(C)c1CNc1ccccc1CC(F)(F)F ZINC000462170755 331318121 /nfs/dbraw/zinc/31/81/21/331318121.db2.gz MKIFLBBQBCVICZ-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1c(CSC(C)C)cccc1NCCC(F)(F)F ZINC000462171314 331318053 /nfs/dbraw/zinc/31/80/53/331318053.db2.gz NVHWPFPSWAPEFV-UHFFFAOYSA-N 0 0 291.382 5.001 20 0 CKADRN FC(F)(F)Cc1cccc(NCc2ccccc2Cl)c1 ZINC000462175258 331318083 /nfs/dbraw/zinc/31/80/83/331318083.db2.gz JSOQCMFBBYLMIW-UHFFFAOYSA-N 0 0 299.723 5.057 20 0 CKADRN Cc1ccc(C)c(CNc2cccc(CC(F)(F)F)c2)c1 ZINC000462175870 331318042 /nfs/dbraw/zinc/31/80/42/331318042.db2.gz KXZJLGAKXMAEKM-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1cccc(C)c1CNc1cccc(CC(F)(F)F)c1 ZINC000462176096 331318070 /nfs/dbraw/zinc/31/80/70/331318070.db2.gz MPRKFLOSVFRSGY-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN FC(F)(F)Cc1ccccc1NCc1ccccc1Cl ZINC000462180281 331318132 /nfs/dbraw/zinc/31/81/32/331318132.db2.gz LUTGSHYYTGJYFM-UHFFFAOYSA-N 0 0 299.723 5.057 20 0 CKADRN Cc1ccc(C)c(CNc2ccccc2CC(F)(F)F)c1 ZINC000462180792 331318105 /nfs/dbraw/zinc/31/81/05/331318105.db2.gz IIVPBLWGRJUJOT-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN FC(F)(F)Cc1cccc(NCc2ccc(Cl)cc2)c1 ZINC000462185683 331318224 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KYNYUHMXMFUCLY-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN FC(F)(F)Cc1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000462245203 331318788 /nfs/dbraw/zinc/31/87/88/331318788.db2.gz HFRBTNGBAKUDNA-UHFFFAOYSA-N 0 0 299.723 5.057 20 0 CKADRN C[C@@H](Nc1nccc2occc21)c1ccc2ccccc2c1 ZINC000462372062 331320799 /nfs/dbraw/zinc/32/07/99/331320799.db2.gz SAGPAXJMMKZAFH-CYBMUJFWSA-N 0 0 288.350 5.154 20 0 CKADRN C[C@H](Nc1nccc2occc21)c1ccc2ccccc2c1 ZINC000462372064 331320769 /nfs/dbraw/zinc/32/07/69/331320769.db2.gz SAGPAXJMMKZAFH-ZDUSSCGKSA-N 0 0 288.350 5.154 20 0 CKADRN CC(C)C[C@@H](C)C(=O)Nc1ccccc1-c1cccs1 ZINC000462427837 261242268 /nfs/dbraw/zinc/24/22/68/261242268.db2.gz KPVQUNOGVCBLBL-CYBMUJFWSA-N 0 0 287.428 5.036 20 0 CKADRN CC(C)C[C@H](C)C(=O)Nc1ccccc1-c1cccs1 ZINC000462427838 261242427 /nfs/dbraw/zinc/24/24/27/261242427.db2.gz KPVQUNOGVCBLBL-ZDUSSCGKSA-N 0 0 287.428 5.036 20 0 CKADRN Cc1nc(C)c(COc2ccccc2-c2ccccc2)s1 ZINC000462559154 331323478 /nfs/dbraw/zinc/32/34/78/331323478.db2.gz PIRXDGYRYGNWKF-UHFFFAOYSA-N 0 0 295.407 5.006 20 0 CKADRN Fc1cccc(-c2ccc(CNc3ccccc3)s2)c1 ZINC000462672813 331324825 /nfs/dbraw/zinc/32/48/25/331324825.db2.gz GJVDKGZFWSDZCT-UHFFFAOYSA-N 0 0 283.371 5.166 20 0 CKADRN Cc1cc(F)ccc1-c1ccc(CNc2ccccc2)o1 ZINC000462677006 261529565 /nfs/dbraw/zinc/52/95/65/261529565.db2.gz IIMLLQUTUCFZAA-UHFFFAOYSA-N 0 0 281.330 5.006 20 0 CKADRN Cc1c(F)cccc1-c1ccc(CNc2ccccc2)o1 ZINC000462681476 331325076 /nfs/dbraw/zinc/32/50/76/331325076.db2.gz KAFKGRDKDVEYDK-UHFFFAOYSA-N 0 0 281.330 5.006 20 0 CKADRN O=C(Nc1cccc(C2CCC2)c1)c1sccc1C1CC1 ZINC000462720643 331325622 /nfs/dbraw/zinc/32/56/22/331325622.db2.gz QJNZEFKFUJWEMG-UHFFFAOYSA-N 0 0 297.423 5.145 20 0 CKADRN FC(F)(F)Cc1ccc(NCc2cccc(Cl)c2)cc1 ZINC000462726539 331325703 /nfs/dbraw/zinc/32/57/03/331325703.db2.gz RDLWNNGFHYKKSC-UHFFFAOYSA-N 0 0 299.723 5.057 20 0 CKADRN Cc1cc(C)cc(CNc2ccc(CC(F)(F)F)cc2)c1 ZINC000462727260 331325729 /nfs/dbraw/zinc/32/57/29/331325729.db2.gz CDTRYQZLYLJBOZ-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1cccc(CNc2ccc(CC(F)(F)F)cc2)c1C ZINC000462728940 331325867 /nfs/dbraw/zinc/32/58/67/331325867.db2.gz XRNGVPASKRWTOF-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1ccc(CNc2ccc(CC(F)(F)F)cc2)cc1C ZINC000462730155 331325845 /nfs/dbraw/zinc/32/58/45/331325845.db2.gz VHBRTUVDGGRXJA-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1ccc(CNc2ccc(CC(F)(F)F)cc2)c(C)c1 ZINC000462731353 331325919 /nfs/dbraw/zinc/32/59/19/331325919.db2.gz NAWZGVBKJZVKIA-UHFFFAOYSA-N 0 0 293.332 5.020 20 0 CKADRN Cc1ccoc1CNc1cccc(CSC(C)C)c1C ZINC000462754540 331327635 /nfs/dbraw/zinc/32/76/35/331327635.db2.gz MJFAQKMBDUMOAE-UHFFFAOYSA-N 0 0 289.444 5.150 20 0 CKADRN Cc1c(CSC(C)C)cccc1NCc1ccsc1 ZINC000462756263 331327700 /nfs/dbraw/zinc/32/77/00/331327700.db2.gz RSAWHTFGVVMMJP-UHFFFAOYSA-N 0 0 291.485 5.310 20 0 CKADRN Cc1ccc(CNc2cccc(CSC(C)C)c2C)o1 ZINC000462761191 331327899 /nfs/dbraw/zinc/32/78/99/331327899.db2.gz JFEZKFIIGAMRMQ-UHFFFAOYSA-N 0 0 289.444 5.150 20 0 CKADRN Cc1c(CSC(C)C)cccc1NCc1cccs1 ZINC000462764907 331327928 /nfs/dbraw/zinc/32/79/28/331327928.db2.gz RNLZWBUPIZINSJ-UHFFFAOYSA-N 0 0 291.485 5.310 20 0 CKADRN Cc1c2ccccc2oc1[C@@H](C)Nc1nccc2occc21 ZINC000462779572 331328586 /nfs/dbraw/zinc/32/85/86/331328586.db2.gz NVFQECACYSVHLD-GFCCVEGCSA-N 0 0 292.338 5.056 20 0 CKADRN Cc1c2ccccc2oc1[C@H](C)Nc1nccc2occc21 ZINC000462779573 331328571 /nfs/dbraw/zinc/32/85/71/331328571.db2.gz NVFQECACYSVHLD-LBPRGKRZSA-N 0 0 292.338 5.056 20 0 CKADRN CCc1cnccc1[C@H](C)[C@@H](c1ccccc1)C(F)(F)F ZINC000462820047 327786611 /nfs/dbraw/zinc/78/66/11/327786611.db2.gz UXWAHJPXEYZAJS-LRDDRELGSA-N 0 0 293.332 5.094 20 0 CKADRN CCSc1ccc([C@@H](C)Nc2nccc3occc32)cc1 ZINC000462825363 331331295 /nfs/dbraw/zinc/33/12/95/331331295.db2.gz HJTIBRJRBKGGLA-GFCCVEGCSA-N 0 0 298.411 5.113 20 0 CKADRN CCSc1ccc([C@H](C)Nc2nccc3occc32)cc1 ZINC000462825364 331331328 /nfs/dbraw/zinc/33/13/28/331331328.db2.gz HJTIBRJRBKGGLA-LBPRGKRZSA-N 0 0 298.411 5.113 20 0 CKADRN C[C@@H](Nc1nccc2occc21)c1cc2ccccc2s1 ZINC000462848267 261686573 /nfs/dbraw/zinc/68/65/73/261686573.db2.gz OSRBSNOGGVNZHJ-LLVKDONJSA-N 0 0 294.379 5.216 20 0 CKADRN c1nc(C2CCC2)sc1CNc1cccc(C2CCC2)c1 ZINC000462855859 331332847 /nfs/dbraw/zinc/33/28/47/331332847.db2.gz DHGVUSANRHAFMF-UHFFFAOYSA-N 0 0 298.455 5.290 20 0 CKADRN CC(C)c1ncc(CNc2cccc(C3CCC3)c2)s1 ZINC000462863136 331333046 /nfs/dbraw/zinc/33/30/46/331333046.db2.gz YZEAUYSRIPSTET-UHFFFAOYSA-N 0 0 286.444 5.146 20 0 CKADRN c1ccc2ncc(CNc3cccc(C4CCC4)c3)cc2c1 ZINC000462868586 331333301 /nfs/dbraw/zinc/33/33/01/331333301.db2.gz BLBDQKVDUZEYFK-UHFFFAOYSA-N 0 0 288.394 5.114 20 0 CKADRN CC(C)c1cnc(CNc2cccc(C3CCC3)c2)s1 ZINC000462873941 331333607 /nfs/dbraw/zinc/33/36/07/331333607.db2.gz YZUWAFPQWWEPFU-UHFFFAOYSA-N 0 0 286.444 5.146 20 0 CKADRN CC(C)c1ccc([C@@H](C)Nc2nccc3occc32)cc1 ZINC000462919056 331335204 /nfs/dbraw/zinc/33/52/04/331335204.db2.gz LWUNQZMSOFMYIJ-CYBMUJFWSA-N 0 0 280.371 5.124 20 0 CKADRN CC(C)c1ccc([C@H](C)Nc2nccc3occc32)cc1 ZINC000462919057 331335182 /nfs/dbraw/zinc/33/51/82/331335182.db2.gz LWUNQZMSOFMYIJ-ZDUSSCGKSA-N 0 0 280.371 5.124 20 0 CKADRN C[C@@H](Nc1nccc2occc21)c1cccc2ccccc21 ZINC000462923266 331335171 /nfs/dbraw/zinc/33/51/71/331335171.db2.gz ADMUEQSJUVFQQH-CYBMUJFWSA-N 0 0 288.350 5.154 20 0 CKADRN C[C@H](Nc1nccc2occc21)c1cccc2ccccc21 ZINC000462923267 331335142 /nfs/dbraw/zinc/33/51/42/331335142.db2.gz ADMUEQSJUVFQQH-ZDUSSCGKSA-N 0 0 288.350 5.154 20 0 CKADRN CC[C@H](Nc1nccc2occc21)c1ccc(Cl)cc1 ZINC000462927839 331335315 /nfs/dbraw/zinc/33/53/15/331335315.db2.gz IGAMCJJQDFLZKY-AWEZNQCLSA-N 0 0 286.762 5.044 20 0 CKADRN CC[C@@H](Nc1nccc2occc21)c1ccc(Cl)cc1 ZINC000462927840 331335249 /nfs/dbraw/zinc/33/52/49/331335249.db2.gz IGAMCJJQDFLZKY-CQSZACIVSA-N 0 0 286.762 5.044 20 0 CKADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)cn1 ZINC000462938856 331335388 /nfs/dbraw/zinc/33/53/88/331335388.db2.gz KCTCWLDSHZWSNK-GFCCVEGCSA-N 0 0 286.806 5.176 20 0 CKADRN C[C@H](Nc1cccc(C2CCC2)c1)c1ccc(Cl)cn1 ZINC000462938857 331335366 /nfs/dbraw/zinc/33/53/66/331335366.db2.gz KCTCWLDSHZWSNK-LBPRGKRZSA-N 0 0 286.806 5.176 20 0 CKADRN CCc1cccnc1[C@H](C)Nc1cccc(C2CCC2)c1 ZINC000462939107 331335562 /nfs/dbraw/zinc/33/55/62/331335562.db2.gz DZTZYSGRIAJWNW-AWEZNQCLSA-N 0 0 280.415 5.085 20 0 CKADRN CCc1cccnc1[C@@H](C)Nc1cccc(C2CCC2)c1 ZINC000462939108 331335581 /nfs/dbraw/zinc/33/55/81/331335581.db2.gz DZTZYSGRIAJWNW-CQSZACIVSA-N 0 0 280.415 5.085 20 0 CKADRN CC(C)[C@H](Nc1cccc(C2CCC2)c1)c1cccnc1 ZINC000462939531 331335519 /nfs/dbraw/zinc/33/55/19/331335519.db2.gz GFBHFLDEHXFMGY-IBGZPJMESA-N 0 0 280.415 5.158 20 0 CKADRN CC(C)[C@@H](Nc1cccc(C2CCC2)c1)c1cccnc1 ZINC000462939532 331335507 /nfs/dbraw/zinc/33/55/07/331335507.db2.gz GFBHFLDEHXFMGY-LJQANCHMSA-N 0 0 280.415 5.158 20 0 CKADRN CC[C@H](Nc1cccc(C2CCC2)c1)c1ccc(F)cn1 ZINC000462940394 331335462 /nfs/dbraw/zinc/33/54/62/331335462.db2.gz HVQLPGIZBZVULN-KRWDZBQOSA-N 0 0 284.378 5.051 20 0 CKADRN CC[C@@H](Nc1cccc(C2CCC2)c1)c1ccc(F)cn1 ZINC000462940422 331335506 /nfs/dbraw/zinc/33/55/06/331335506.db2.gz HVQLPGIZBZVULN-QGZVFWFLSA-N 0 0 284.378 5.051 20 0 CKADRN CCC[C@H](Nc1cccc(C2CCC2)c1)c1ccccn1 ZINC000462940665 331335470 /nfs/dbraw/zinc/33/54/70/331335470.db2.gz CGTKVAUCVNNEDO-IBGZPJMESA-N 0 0 280.415 5.302 20 0 CKADRN CCC[C@@H](Nc1cccc(C2CCC2)c1)c1ccccn1 ZINC000462940692 331335547 /nfs/dbraw/zinc/33/55/47/331335547.db2.gz CGTKVAUCVNNEDO-LJQANCHMSA-N 0 0 280.415 5.302 20 0 CKADRN C[C@H](Nc1cccc(C2CCC2)c1)c1ccc2c(c1)COC2 ZINC000462945725 331335676 /nfs/dbraw/zinc/33/56/76/331335676.db2.gz PFXMBQUTCVELNH-AWEZNQCLSA-N 0 0 293.410 5.157 20 0 CKADRN C[C@@H](Nc1cccc(C2CCC2)c1)c1ccc2c(c1)COC2 ZINC000462945726 331335667 /nfs/dbraw/zinc/33/56/67/331335667.db2.gz PFXMBQUTCVELNH-CQSZACIVSA-N 0 0 293.410 5.157 20 0 CKADRN Fc1cncc([C@@H](Nc2cccc(C3CCC3)c2)C2CC2)c1 ZINC000462946465 331335608 /nfs/dbraw/zinc/33/56/08/331335608.db2.gz VHHMRUMFEDTEQS-IBGZPJMESA-N 0 0 296.389 5.051 20 0 CKADRN Fc1cncc([C@H](Nc2cccc(C3CCC3)c2)C2CC2)c1 ZINC000462946466 331335616 /nfs/dbraw/zinc/33/56/16/331335616.db2.gz VHHMRUMFEDTEQS-LJQANCHMSA-N 0 0 296.389 5.051 20 0 CKADRN CCC[C@H](Nc1cccc(C2CCC2)c1)c1cccnc1 ZINC000462950351 331335744 /nfs/dbraw/zinc/33/57/44/331335744.db2.gz QQOUOXQCJKQVHG-IBGZPJMESA-N 0 0 280.415 5.302 20 0 CKADRN CCC[C@@H](Nc1cccc(C2CCC2)c1)c1cccnc1 ZINC000462950352 331335753 /nfs/dbraw/zinc/33/57/53/331335753.db2.gz QQOUOXQCJKQVHG-LJQANCHMSA-N 0 0 280.415 5.302 20 0 CKADRN Cc1c([C@H](C)Nc2cccc(C3CCC3)c2)cnn1C(C)C ZINC000462950376 331335811 /nfs/dbraw/zinc/33/58/11/331335811.db2.gz QUXZWZBBUFSHOU-AWEZNQCLSA-N 0 0 297.446 5.213 20 0 CKADRN Cc1c([C@@H](C)Nc2cccc(C3CCC3)c2)cnn1C(C)C ZINC000462950377 331335781 /nfs/dbraw/zinc/33/57/81/331335781.db2.gz QUXZWZBBUFSHOU-CQSZACIVSA-N 0 0 297.446 5.213 20 0 CKADRN Cc1nc(C)c([C@@H](C)Nc2cccc(C3CCC3)c2)s1 ZINC000462953116 331335759 /nfs/dbraw/zinc/33/57/59/331335759.db2.gz WIESCQUDJVYVHY-GFCCVEGCSA-N 0 0 286.444 5.201 20 0 CKADRN Cc1nc(C)c([C@H](C)Nc2cccc(C3CCC3)c2)s1 ZINC000462953117 331335752 /nfs/dbraw/zinc/33/57/52/331335752.db2.gz WIESCQUDJVYVHY-LBPRGKRZSA-N 0 0 286.444 5.201 20 0 CKADRN Cc1nc2c(s1)[C@@H](Nc1cccc(C3CCC3)c1)CCC2 ZINC000462954119 331336029 /nfs/dbraw/zinc/33/60/29/331336029.db2.gz YOCVOZHRIFQUHC-KRWDZBQOSA-N 0 0 298.455 5.209 20 0 CKADRN Cc1nc2c(s1)[C@H](Nc1cccc(C3CCC3)c1)CCC2 ZINC000462954120 331336004 /nfs/dbraw/zinc/33/60/04/331336004.db2.gz YOCVOZHRIFQUHC-QGZVFWFLSA-N 0 0 298.455 5.209 20 0 CKADRN c1cncc([C@@H](Nc2cccc(C3CCC3)c2)C2CCC2)c1 ZINC000462963363 331336140 /nfs/dbraw/zinc/33/61/40/331336140.db2.gz LDYDZKTWHPPRGR-FQEVSTJZSA-N 0 0 292.426 5.302 20 0 CKADRN c1cncc([C@H](Nc2cccc(C3CCC3)c2)C2CCC2)c1 ZINC000462963364 331336066 /nfs/dbraw/zinc/33/60/66/331336066.db2.gz LDYDZKTWHPPRGR-HXUWFJFHSA-N 0 0 292.426 5.302 20 0 CKADRN Cc1ccc(-c2cnc(CSc3ccccc3F)o2)cc1 ZINC000463035614 331337995 /nfs/dbraw/zinc/33/79/95/331337995.db2.gz HJTIFLMNNMVCOX-UHFFFAOYSA-N 0 0 299.370 5.081 20 0 CKADRN Cc1ccc(-c2cnc(CSCc3ccccc3)o2)cc1 ZINC000463036214 331337977 /nfs/dbraw/zinc/33/79/77/331337977.db2.gz JIQNJYUZYAERTF-UHFFFAOYSA-N 0 0 295.407 5.083 20 0 CKADRN Cc1ccc(-c2cnc(CSc3ccc(F)cc3)o2)cc1 ZINC000463040379 331338233 /nfs/dbraw/zinc/33/82/33/331338233.db2.gz VDXXQZUTHFEADC-UHFFFAOYSA-N 0 0 299.370 5.081 20 0 CKADRN Cc1ncsc1/C=C/c1nc(-c2ccc(C)cc2)cs1 ZINC000463043118 331338436 /nfs/dbraw/zinc/33/84/36/331338436.db2.gz MWAWSYJDQHMNHL-BQYQJAHWSA-N 0 0 298.436 5.054 20 0 CKADRN Cc1ncsc1/C=C\c1nc(-c2ccc(C)cc2)cs1 ZINC000463043119 331338323 /nfs/dbraw/zinc/33/83/23/331338323.db2.gz MWAWSYJDQHMNHL-FPLPWBNLSA-N 0 0 298.436 5.054 20 0 CKADRN CCSc1ccc([C@@H](C)Nc2ccc(Cl)cn2)cc1 ZINC000463053685 331338866 /nfs/dbraw/zinc/33/88/66/331338866.db2.gz JNBOHWWKFWMQDO-LLVKDONJSA-N 0 0 292.835 5.020 20 0 CKADRN CCSc1ccc([C@H](C)Nc2ccc(Cl)cn2)cc1 ZINC000463053687 331338891 /nfs/dbraw/zinc/33/88/91/331338891.db2.gz JNBOHWWKFWMQDO-NSHDSACASA-N 0 0 292.835 5.020 20 0 CKADRN C[C@@H](Nc1ccc(Cl)cn1)c1cccc2ccccc21 ZINC000463058891 331339044 /nfs/dbraw/zinc/33/90/44/331339044.db2.gz WBLVAJVGTWDZIF-GFCCVEGCSA-N 0 0 282.774 5.061 20 0 CKADRN C[C@H](Nc1ccc(Cl)cn1)c1cccc2ccccc21 ZINC000463058892 331339097 /nfs/dbraw/zinc/33/90/97/331339097.db2.gz WBLVAJVGTWDZIF-LBPRGKRZSA-N 0 0 282.774 5.061 20 0 CKADRN CCC[C@@H]1C[C@H]1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000463072014 331339378 /nfs/dbraw/zinc/33/93/78/331339378.db2.gz UXUNHIYHTPTAFZ-RHSMWYFYSA-N 0 0 287.447 5.308 20 0 CKADRN CC(C)c1ccc(NC(=O)CC2CCC2)c(C(C)C)c1 ZINC000463105593 331340488 /nfs/dbraw/zinc/34/04/88/331340488.db2.gz NWARLHPJTKOWBM-UHFFFAOYSA-N 0 0 273.420 5.062 20 0 CKADRN C[C@H](SCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000463187962 331341798 /nfs/dbraw/zinc/34/17/98/331341798.db2.gz AAEXYLBYLTVHJC-JTQLQIEISA-N 0 0 298.238 5.383 20 0 CKADRN C[C@@H](SCc1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000463187963 331341821 /nfs/dbraw/zinc/34/18/21/331341821.db2.gz AAEXYLBYLTVHJC-SNVBAGLBSA-N 0 0 298.238 5.383 20 0 CKADRN Cc1cccc([C@@H]2CCCN2C(=O)CCCC2CCCC2)c1 ZINC000463194735 331341962 /nfs/dbraw/zinc/34/19/62/331341962.db2.gz ZKYKYYHAYRWCEQ-IBGZPJMESA-N 0 0 299.458 5.019 20 0 CKADRN Cc1cccc([C@H]2CCCN2C(=O)CCCC2CCCC2)c1 ZINC000463194736 331341951 /nfs/dbraw/zinc/34/19/51/331341951.db2.gz ZKYKYYHAYRWCEQ-LJQANCHMSA-N 0 0 299.458 5.019 20 0 CKADRN FC(F)(F)CCSc1ccc(Cl)c(Cl)c1 ZINC000463197814 331342054 /nfs/dbraw/zinc/34/20/54/331342054.db2.gz SKNKKBYWMSDHOT-UHFFFAOYSA-N 0 0 275.122 5.038 20 0 CKADRN C[C@H](SCc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000463201307 331342061 /nfs/dbraw/zinc/34/20/61/331342061.db2.gz LFGDREBXEXZWLR-JTQLQIEISA-N 0 0 298.238 5.383 20 0 CKADRN C[C@@H](SCc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000463201308 331342064 /nfs/dbraw/zinc/34/20/64/331342064.db2.gz LFGDREBXEXZWLR-SNVBAGLBSA-N 0 0 298.238 5.383 20 0 CKADRN C[C@H](SCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000463207014 331342293 /nfs/dbraw/zinc/34/22/93/331342293.db2.gz YKHPHCPWQAOSKJ-JTQLQIEISA-N 0 0 298.238 5.383 20 0 CKADRN C[C@@H](SCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000463207015 331342186 /nfs/dbraw/zinc/34/21/86/331342186.db2.gz YKHPHCPWQAOSKJ-SNVBAGLBSA-N 0 0 298.238 5.383 20 0 CKADRN C[C@@H](Sc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000463209035 331342346 /nfs/dbraw/zinc/34/23/46/331342346.db2.gz HVPXMXMUBWBUSV-SECBINFHSA-N 0 0 284.211 5.242 20 0 CKADRN C[C@H](Sc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000463209036 331342395 /nfs/dbraw/zinc/34/23/95/331342395.db2.gz HVPXMXMUBWBUSV-VIFPVBQESA-N 0 0 284.211 5.242 20 0 CKADRN CC(C)[C@@H](C)S[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000463222322 331342831 /nfs/dbraw/zinc/34/28/31/331342831.db2.gz NIBMCRJKDDVRMW-CHWSQXEVSA-N 0 0 275.417 5.180 20 0 CKADRN CC(C)[C@@H](C)S[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000463222323 331342826 /nfs/dbraw/zinc/34/28/26/331342826.db2.gz NIBMCRJKDDVRMW-OLZOCXBDSA-N 0 0 275.417 5.180 20 0 CKADRN CC(C)[C@H](C)S[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000463222324 331342818 /nfs/dbraw/zinc/34/28/18/331342818.db2.gz NIBMCRJKDDVRMW-QWHCGFSZSA-N 0 0 275.417 5.180 20 0 CKADRN CC(C)[C@H](C)S[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000463222325 331342825 /nfs/dbraw/zinc/34/28/25/331342825.db2.gz NIBMCRJKDDVRMW-STQMWFEESA-N 0 0 275.417 5.180 20 0 CKADRN CC(C)[C@H](C)SCc1csc(-c2ccsc2)n1 ZINC000463224590 331342365 /nfs/dbraw/zinc/34/23/65/331342365.db2.gz XVRHORGTWIUTLY-JTQLQIEISA-N 0 0 283.487 5.149 20 0 CKADRN CC(C)[C@@H](C)SCc1csc(-c2ccsc2)n1 ZINC000463224591 331342417 /nfs/dbraw/zinc/34/24/17/331342417.db2.gz XVRHORGTWIUTLY-SNVBAGLBSA-N 0 0 283.487 5.149 20 0 CKADRN CC(C)[C@H](C)SCc1csc(-c2cccs2)n1 ZINC000463237283 331343542 /nfs/dbraw/zinc/34/35/42/331343542.db2.gz VIBSJEJTJHXGGB-JTQLQIEISA-N 0 0 283.487 5.149 20 0 CKADRN CC(C)[C@@H](C)SCc1csc(-c2cccs2)n1 ZINC000463237284 331343533 /nfs/dbraw/zinc/34/35/33/331343533.db2.gz VIBSJEJTJHXGGB-SNVBAGLBSA-N 0 0 283.487 5.149 20 0 CKADRN CCC(C)(C)CCSc1nnc(-c2sccc2C)o1 ZINC000463268286 331344657 /nfs/dbraw/zinc/34/46/57/331344657.db2.gz UCNWKWDRLDBUNV-UHFFFAOYSA-N 0 0 296.461 5.025 20 0 CKADRN Cc1ccc(-c2cnc(CSc3cccs3)o2)cc1 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331346967 /nfs/dbraw/zinc/34/69/67/331346967.db2.gz MRWIYRVPQKATCB-UHFFFAOYSA-N 0 0 291.410 5.012 20 0 CKADRN CCN(CC(C)(C)C)C(=O)Nc1c(C)cccc1C(C)C ZINC000463557600 331349467 /nfs/dbraw/zinc/34/94/67/331349467.db2.gz MQYPMKZIQIOIFB-UHFFFAOYSA-N 0 0 290.451 5.018 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)CC2CCC2)c(C)c1 ZINC000463623774 331350050 /nfs/dbraw/zinc/35/00/50/331350050.db2.gz NKQRTSMUOKIGDJ-CYBMUJFWSA-N 0 0 291.460 5.014 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)CC2CCC2)c(C)c1 ZINC000463623777 331350120 /nfs/dbraw/zinc/35/01/20/331350120.db2.gz NKQRTSMUOKIGDJ-ZDUSSCGKSA-N 0 0 291.460 5.014 20 0 CKADRN CC[C@@H](c1ccccc1)[S@](=O)c1ccc(C(C)C)cc1 ZINC000463680145 331350438 /nfs/dbraw/zinc/35/04/38/331350438.db2.gz DDBDWZYXSFRKCX-AZUAARDMSA-N 0 0 286.440 5.069 20 0 CKADRN CC[C@@H](c1ccccc1)[S@@](=O)c1ccc(C(C)C)cc1 ZINC000463680152 331350503 /nfs/dbraw/zinc/35/05/03/331350503.db2.gz DDBDWZYXSFRKCX-ICSRJNTNSA-N 0 0 286.440 5.069 20 0 CKADRN CC[C@H](c1ccccc1)[S@@](=O)c1ccc(C(C)C)cc1 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ZINC000467263357 331413151 /nfs/dbraw/zinc/41/31/51/331413151.db2.gz UIAZFJLOYJVFES-UHFFFAOYSA-N 0 0 298.411 5.139 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467285542 331413906 /nfs/dbraw/zinc/41/39/06/331413906.db2.gz HMHMENDYWTUURH-PIIMJCKOSA-N 0 0 299.458 5.308 20 0 CKADRN CC(C)c1ccc([C@H](C)S[C@@H](C)c2cnccn2)cc1 ZINC000467298690 331414325 /nfs/dbraw/zinc/41/43/25/331414325.db2.gz GAJIIIMAAISLJQ-KBPBESRZSA-N 0 0 286.444 5.155 20 0 CKADRN CC(C)c1ccc([C@@H](C)S[C@H](C)c2cnccn2)cc1 ZINC000467298700 331414341 /nfs/dbraw/zinc/41/43/41/331414341.db2.gz GAJIIIMAAISLJQ-ZIAGYGMSSA-N 0 0 286.444 5.155 20 0 CKADRN CC[C@H](S[C@@H](C)c1cnccn1)c1ccc(Cl)cc1 ZINC000467304643 331414566 /nfs/dbraw/zinc/41/45/66/331414566.db2.gz NUYAQGAEBAWCEC-NHYWBVRUSA-N 0 0 292.835 5.076 20 0 CKADRN Fc1cncc([C@@H](Nc2ccc(C3CCC3)cc2)C2CC2)c1 ZINC000467362878 331416329 /nfs/dbraw/zinc/41/63/29/331416329.db2.gz USHUUTYATDKLCI-IBGZPJMESA-N 0 0 296.389 5.051 20 0 CKADRN Cc1cncc([C@H](C)Nc2cccc(C(F)F)c2Cl)c1 ZINC000467643748 331422911 /nfs/dbraw/zinc/42/29/11/331422911.db2.gz NIXGOUTWLFLVHT-JTQLQIEISA-N 0 0 296.748 5.154 20 0 CKADRN Cc1cncc([C@@H](C)Nc2cccc(C(F)F)c2Cl)c1 ZINC000467643749 331422900 /nfs/dbraw/zinc/42/29/00/331422900.db2.gz NIXGOUTWLFLVHT-SNVBAGLBSA-N 0 0 296.748 5.154 20 0 CKADRN CCCCCN(C(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000467672853 331423066 /nfs/dbraw/zinc/42/30/66/331423066.db2.gz ZQXWNZKUOXFKRH-UHFFFAOYSA-N 0 0 296.842 5.081 20 0 CKADRN Cc1cncc([C@@H](C)Nc2cccc(-c3cccs3)c2)c1 ZINC000467737557 331423495 /nfs/dbraw/zinc/42/34/95/331423495.db2.gz LOWNDFAVTIQZPA-CQSZACIVSA-N 0 0 294.423 5.292 20 0 CKADRN CCc1ccc([C@@H]([NH2+][C@H](C)c2cncc(C)c2)C(C)C)cc1 ZINC000467749448 263278735 /nfs/dbraw/zinc/27/87/35/263278735.db2.gz NRJLAAFKZPRPKD-UZLBHIALSA-N 0 0 296.458 5.000 20 0 CKADRN CO[C@H](C)c1nc(CSC2CCC(C)(C)CC2)cs1 ZINC000468387348 331433393 /nfs/dbraw/zinc/43/33/93/331433393.db2.gz HLJHJTYTBORCTG-LLVKDONJSA-N 0 0 299.505 5.053 20 0 CKADRN CO[C@@H](C)c1nc(CSC2CCC(C)(C)CC2)cs1 ZINC000468387349 518108111 /nfs/dbraw/zinc/10/81/11/518108111.db2.gz HLJHJTYTBORCTG-NSHDSACASA-N 0 0 299.505 5.053 20 0 CKADRN Cc1cnc([C@H](C)SC/C=C\c2ccc(Cl)cc2)o1 ZINC000468653684 331438318 /nfs/dbraw/zinc/43/83/18/331438318.db2.gz XGRIKPWVTHQWJN-MVZIDQBPSA-N 0 0 293.819 5.144 20 0 CKADRN Cc1cnc([C@H](C)SC/C=C/c2ccc(Cl)cc2)o1 ZINC000468653685 331438348 /nfs/dbraw/zinc/43/83/48/331438348.db2.gz XGRIKPWVTHQWJN-PCAWENJQSA-N 0 0 293.819 5.144 20 0 CKADRN CCC(CC)CC(=O)Nc1ccccc1-c1cccs1 ZINC000468874932 331441581 /nfs/dbraw/zinc/44/15/81/331441581.db2.gz FOPIIYFTHMWGDG-UHFFFAOYSA-N 0 0 287.428 5.180 20 0 CKADRN Cc1c([C@@H](C)Nc2cccc3ccsc32)cnn1C(C)C ZINC000468878236 331441618 /nfs/dbraw/zinc/44/16/18/331441618.db2.gz IPVUSMGXIYJNRS-GFCCVEGCSA-N 0 0 299.443 5.160 20 0 CKADRN Cc1c([C@H](C)Nc2cccc3ccsc32)cnn1C(C)C ZINC000468878720 331441624 /nfs/dbraw/zinc/44/16/24/331441624.db2.gz IPVUSMGXIYJNRS-LBPRGKRZSA-N 0 0 299.443 5.160 20 0 CKADRN Cc1c([C@H](C)Nc2csc3ccccc23)cnn1C(C)C ZINC000468925765 331442465 /nfs/dbraw/zinc/44/24/65/331442465.db2.gz KVPVXRSSPDCONF-LBPRGKRZSA-N 0 0 299.443 5.160 20 0 CKADRN Cc1c([C@@H](C)Nc2ccc(C(C)(C)C)cc2)cnn1C(C)C ZINC000468938735 331442707 /nfs/dbraw/zinc/44/27/07/331442707.db2.gz LCANONPTWXGMDB-CQSZACIVSA-N 0 0 299.462 5.243 20 0 CKADRN C[C@@H](Nc1ccc2ccn(C)c2c1)c1csc(Cl)c1 ZINC000469192542 331447368 /nfs/dbraw/zinc/44/73/68/331447368.db2.gz NAGOVOFJLBRTCV-SNVBAGLBSA-N 0 0 290.819 5.066 20 0 CKADRN CC(=O)Nc1ccc(Cl)cc1-c1cccc2ccccc21 ZINC000469192875 331447297 /nfs/dbraw/zinc/44/72/97/331447297.db2.gz INCAVXXIKGYAPC-UHFFFAOYSA-N 0 0 295.769 5.119 20 0 CKADRN C[C@@H](c1cccc(Cl)c1)[S@](=O)C1CCC(C)(C)CC1 ZINC000469462457 331452144 /nfs/dbraw/zinc/45/21/44/331452144.db2.gz ITRGBMKZKXYDHL-BUXKBTBVSA-N 0 0 298.879 5.119 20 0 CKADRN Cc1ccc(C)c(N[C@H](C)c2csc(C(C)C)n2)c1 ZINC000469766989 331457355 /nfs/dbraw/zinc/45/73/55/331457355.db2.gz DUTIXPIHUPDHMP-CYBMUJFWSA-N 0 0 274.433 5.056 20 0 CKADRN Cc1ccc(C)c(N[C@@H](C)c2csc(C(C)C)n2)c1 ZINC000469766990 331457374 /nfs/dbraw/zinc/45/73/74/331457374.db2.gz DUTIXPIHUPDHMP-ZDUSSCGKSA-N 0 0 274.433 5.056 20 0 CKADRN CC(C)c1nc([C@@H](C)Nc2cccc3ccccc32)cs1 ZINC000469771108 331457499 /nfs/dbraw/zinc/45/74/99/331457499.db2.gz ZQODKBLNYFZIFW-CYBMUJFWSA-N 0 0 296.439 5.593 20 0 CKADRN CC(C)c1nc([C@H](C)Nc2cccc(Cl)c2)cs1 ZINC000469784958 331458555 /nfs/dbraw/zinc/45/85/55/331458555.db2.gz DWJAEKOIIWPXAI-JTQLQIEISA-N 0 0 280.824 5.093 20 0 CKADRN CC(C)c1nc([C@@H](C)Nc2cccc(Cl)c2)cs1 ZINC000469784959 331458746 /nfs/dbraw/zinc/45/87/46/331458746.db2.gz DWJAEKOIIWPXAI-SNVBAGLBSA-N 0 0 280.824 5.093 20 0 CKADRN Cc1ccc(N[C@H](C)c2csc(C(C)C)n2)c(C)c1 ZINC000469785424 331457398 /nfs/dbraw/zinc/45/73/98/331457398.db2.gz BUZXANGCHGXVTA-CYBMUJFWSA-N 0 0 274.433 5.056 20 0 CKADRN Cc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1C ZINC000469785842 331458750 /nfs/dbraw/zinc/45/87/50/331458750.db2.gz FVORWLPDVGUQNN-CYBMUJFWSA-N 0 0 274.433 5.056 20 0 CKADRN Cc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1C ZINC000469785843 331458758 /nfs/dbraw/zinc/45/87/58/331458758.db2.gz FVORWLPDVGUQNN-ZDUSSCGKSA-N 0 0 274.433 5.056 20 0 CKADRN CC(C)c1nc([C@H](C)Nc2ccc(F)c(Cl)c2)cs1 ZINC000469788000 331459079 /nfs/dbraw/zinc/45/90/79/331459079.db2.gz SKPPRGOQSQONTK-VIFPVBQESA-N 0 0 298.814 5.232 20 0 CKADRN CC(C)c1nc([C@@H](C)Nc2ccc(Cl)cc2)cs1 ZINC000469789068 331459081 /nfs/dbraw/zinc/45/90/81/331459081.db2.gz CFQVUYFUJQNBQV-SNVBAGLBSA-N 0 0 280.824 5.093 20 0 CKADRN CCc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1 ZINC000469795376 329242930 /nfs/dbraw/zinc/24/29/30/329242930.db2.gz CFSJJTXYHXZCMQ-LBPRGKRZSA-N 0 0 274.433 5.002 20 0 CKADRN CCc1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000469795990 331460255 /nfs/dbraw/zinc/46/02/55/331460255.db2.gz HQNRQFNIWIEOFA-LBPRGKRZSA-N 0 0 274.433 5.002 20 0 CKADRN CC1(CC(=O)Nc2ccc(Cl)cc2-c2ccccc2)CC1 ZINC000469813401 331461954 /nfs/dbraw/zinc/46/19/54/331461954.db2.gz FBMFRUAJTURKQA-UHFFFAOYSA-N 0 0 299.801 5.136 20 0 CKADRN Cc1cc(C)c(NC(=O)c2ccc3sccc3c2)c(C)c1 ZINC000471079739 331500546 /nfs/dbraw/zinc/50/05/46/331500546.db2.gz CWCMENDNOBOKFS-UHFFFAOYSA-N 0 0 295.407 5.079 20 0 CKADRN CC(C)c1ccccc1NC(=O)c1ccc2sccc2c1 ZINC000471096807 331501294 /nfs/dbraw/zinc/50/12/94/331501294.db2.gz YCYPQTMVXLBTOV-UHFFFAOYSA-N 0 0 295.407 5.277 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000471244153 331504729 /nfs/dbraw/zinc/50/47/29/331504729.db2.gz CHJDIIFTZMLSDJ-UHFFFAOYSA-N 0 0 287.790 5.024 20 0 CKADRN CCO[C@@H](C)c1nc(-c2cc(C)c(F)cc2Cl)cs1 ZINC000471253165 331504970 /nfs/dbraw/zinc/50/49/70/331504970.db2.gz VCPIBEDIQAWONH-VIFPVBQESA-N 0 0 299.798 5.009 20 0 CKADRN CCCc1cccc(C(C)C)c1NCc1ncc(C2CC2)o1 ZINC000471535426 331510101 /nfs/dbraw/zinc/51/01/01/331510101.db2.gz DWTLUGLHYXXVGZ-UHFFFAOYSA-N 0 0 298.430 5.240 20 0 CKADRN COc1ccsc1[C@@H](C)Nc1cccc2ccsc21 ZINC000471585691 331511256 /nfs/dbraw/zinc/51/12/56/331511256.db2.gz NLMITLWILRNKIU-SNVBAGLBSA-N 0 0 289.425 5.145 20 0 CKADRN COc1ccsc1[C@@H](C)Nc1cccc2ccccc21 ZINC000471601500 331512598 /nfs/dbraw/zinc/51/25/98/331512598.db2.gz JKTYMPKVODLKSB-GFCCVEGCSA-N 0 0 283.396 5.083 20 0 CKADRN COc1ccsc1[C@H](C)Nc1cccc2ccccc21 ZINC000471601501 331512535 /nfs/dbraw/zinc/51/25/35/331512535.db2.gz JKTYMPKVODLKSB-LBPRGKRZSA-N 0 0 283.396 5.083 20 0 CKADRN COc1ccsc1[C@@H](C)Nc1csc2ccccc12 ZINC000471605177 331512668 /nfs/dbraw/zinc/51/26/68/331512668.db2.gz KMAWBWFIWASLER-SNVBAGLBSA-N 0 0 289.425 5.145 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)NC(CC)CC ZINC000471869140 331522741 /nfs/dbraw/zinc/52/27/41/331522741.db2.gz HMTMSFZYAPUXFI-UHFFFAOYSA-N 0 0 290.451 5.073 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)N(CC)CCC ZINC000471871930 331523028 /nfs/dbraw/zinc/52/30/28/331523028.db2.gz NNGUOIVFFOLNBY-UHFFFAOYSA-N 0 0 290.451 5.026 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CC ZINC000471879333 331523018 /nfs/dbraw/zinc/52/30/18/331523018.db2.gz AVOJSWMLOWKKEN-UHFFFAOYSA-N 0 0 290.451 5.073 20 0 CKADRN CSc1cccc(C)c1NCc1ccc(C(F)F)cc1 ZINC000471971774 331525125 /nfs/dbraw/zinc/52/51/25/331525125.db2.gz BYDALYANTBYSBI-UHFFFAOYSA-N 0 0 293.382 5.267 20 0 CKADRN CSc1cccc(C)c1NC(=O)c1ccc(C(C)C)cc1 ZINC000472234600 331532719 /nfs/dbraw/zinc/53/27/19/331532719.db2.gz WANHVBLCPUKOCT-UHFFFAOYSA-N 0 0 299.439 5.093 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000472668517 331541057 /nfs/dbraw/zinc/54/10/57/331541057.db2.gz GSPWRFJLMPPQCQ-HOCLYGCPSA-N 0 0 287.447 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1C[C@]1(C)CC ZINC000472670044 331540922 /nfs/dbraw/zinc/54/09/22/331540922.db2.gz PXWJBLUHFRXQDB-APWZRJJASA-N 0 0 287.447 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@]1(C)CC ZINC000472670047 331540871 /nfs/dbraw/zinc/54/08/71/331540871.db2.gz PXWJBLUHFRXQDB-QFBILLFUSA-N 0 0 287.447 5.137 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CC(CC)CC ZINC000472673455 331540867 /nfs/dbraw/zinc/54/08/67/331540867.db2.gz VORUIVFAGNDPHK-UHFFFAOYSA-N 0 0 289.463 5.527 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000472673895 331541078 /nfs/dbraw/zinc/54/10/78/331541078.db2.gz YVPULCVGDRHNJT-GJZGRUSLSA-N 0 0 289.463 5.383 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H](C)[C@@H](C)CC ZINC000472673897 331541042 /nfs/dbraw/zinc/54/10/42/331541042.db2.gz YVPULCVGDRHNJT-LSDHHAIUSA-N 0 0 289.463 5.383 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@H](C)CCC ZINC000472676574 517619526 /nfs/dbraw/zinc/61/95/26/517619526.db2.gz WDQIVYLICNOKEX-OAHLLOKOSA-N 0 0 289.463 5.527 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C[C@H]1C=CCCC1 ZINC000472681328 331541289 /nfs/dbraw/zinc/54/12/89/331541289.db2.gz CNCWCQAGVMLARZ-INIZCTEOSA-N 0 0 299.458 5.447 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H](C)CC(C)C ZINC000472683594 331541122 /nfs/dbraw/zinc/54/11/22/331541122.db2.gz NCXXGBZBGAPDCZ-HNNXBMFYSA-N 0 0 289.463 5.383 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CCC(C)(C)C ZINC000472683820 331541281 /nfs/dbraw/zinc/54/12/81/331541281.db2.gz NSCMPDRNXBSPDC-UHFFFAOYSA-N 0 0 289.463 5.527 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)CC1=CCCCC1 ZINC000472685522 331541182 /nfs/dbraw/zinc/54/11/82/331541182.db2.gz JNTLBOYXFRAIJI-UHFFFAOYSA-N 0 0 299.458 5.592 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCC2 ZINC000472689273 331541292 /nfs/dbraw/zinc/54/12/92/331541292.db2.gz GYHKGYLDISTNLD-KRWDZBQOSA-N 0 0 299.458 5.281 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCC2 ZINC000472689274 331541226 /nfs/dbraw/zinc/54/12/26/331541226.db2.gz GYHKGYLDISTNLD-QGZVFWFLSA-N 0 0 299.458 5.281 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)C1=C(C)CCC1 ZINC000472823602 331543753 /nfs/dbraw/zinc/54/37/53/331543753.db2.gz LNQJODSTJJGWIN-UHFFFAOYSA-N 0 0 285.431 5.201 20 0 CKADRN CC(C)Sc1ccccc1NCCCCOC(C)(C)C ZINC000473662011 331555058 /nfs/dbraw/zinc/55/50/58/331555058.db2.gz HBWKYWXUDHSNNB-UHFFFAOYSA-N 0 0 295.492 5.194 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@@H](C)C2CCC(F)(F)CC2)c1 ZINC000474045336 331565243 /nfs/dbraw/zinc/56/52/43/331565243.db2.gz QFAZFORMIIUCCK-STQMWFEESA-N 0 0 297.389 5.020 20 0 CKADRN Cc1nc(-c2cccc(N[C@H]3CCC34CCCC4)c2)oc1C ZINC000474059936 331566634 /nfs/dbraw/zinc/56/66/34/331566634.db2.gz UEGDISIVGMCKFC-KRWDZBQOSA-N 0 0 296.414 5.093 20 0 CKADRN Cc1ccc(Cl)c(NC(=O)CC/C=C\c2ccccc2)c1 ZINC000474988670 331608382 /nfs/dbraw/zinc/60/83/82/331608382.db2.gz CFMBZVPQBKXEGP-UITAMQMPSA-N 0 0 299.801 5.081 20 0 CKADRN Cc1ccc(Cl)c(NC(=O)c2cccc3ccccc32)c1 ZINC000474997949 331608476 /nfs/dbraw/zinc/60/84/76/331608476.db2.gz JGQTVSAMDWSLBA-UHFFFAOYSA-N 0 0 295.769 5.054 20 0 CKADRN Cc1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000475000247 331608757 /nfs/dbraw/zinc/60/87/57/331608757.db2.gz FUWJYBOABFFARP-UHFFFAOYSA-N 0 0 295.769 5.054 20 0 CKADRN CC[C@H](c1ccccc1)[S@@](=O)c1ccc2ccccc2c1 ZINC000475048583 331611522 /nfs/dbraw/zinc/61/15/22/331611522.db2.gz IDJSFYLPCSUGSD-CTNGQTDRSA-N 0 0 294.419 5.099 20 0 CKADRN CC[C@@H](c1ccccc1)[S@](=O)c1ccc2ccccc2c1 ZINC000475048587 331611547 /nfs/dbraw/zinc/61/15/47/331611547.db2.gz IDJSFYLPCSUGSD-PZJWPPBQSA-N 0 0 294.419 5.099 20 0 CKADRN CC[C@H](c1ccccc1)[S@](=O)c1ccc2ccccc2c1 ZINC000475048588 331611435 /nfs/dbraw/zinc/61/14/35/331611435.db2.gz IDJSFYLPCSUGSD-TZIWHRDSSA-N 0 0 294.419 5.099 20 0 CKADRN Cc1cccc([C@H](C)[S@](=O)c2ccc3ccccc3c2)c1 ZINC000475050763 331611862 /nfs/dbraw/zinc/61/18/62/331611862.db2.gz ULLPOFHOSUSBMV-BTYIYWSLSA-N 0 0 294.419 5.017 20 0 CKADRN Cc1cccc([C@@H](C)[S@@](=O)c2ccc3ccccc3c2)c1 ZINC000475050766 331612044 /nfs/dbraw/zinc/61/20/44/331612044.db2.gz ULLPOFHOSUSBMV-QVKFZJNVSA-N 0 0 294.419 5.017 20 0 CKADRN Cc1cccc([C@H](C)[S@@](=O)c2ccc3ccccc3c2)c1 ZINC000475050770 331611877 /nfs/dbraw/zinc/61/18/77/331611877.db2.gz ULLPOFHOSUSBMV-YCRPNKLZSA-N 0 0 294.419 5.017 20 0 CKADRN Clc1ccc(-c2ccccc2)cc1NCc1cccnc1 ZINC000475355093 331628676 /nfs/dbraw/zinc/62/86/76/331628676.db2.gz OLWRSIFJWOSFFH-UHFFFAOYSA-N 0 0 294.785 5.014 20 0 CKADRN Clc1ccc(-c2ccccc2)cc1NCc1ccccn1 ZINC000475356865 331629082 /nfs/dbraw/zinc/62/90/82/331629082.db2.gz WWMNGIHGBSPTBB-UHFFFAOYSA-N 0 0 294.785 5.014 20 0 CKADRN Cc1ccc(-c2ccc(C)c(N[C@H](C)c3ccccn3)c2)o1 ZINC000475506196 331634156 /nfs/dbraw/zinc/63/41/56/331634156.db2.gz XFYWMNJIVMWOQV-OAHLLOKOSA-N 0 0 292.382 5.132 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC000475614115 331639539 /nfs/dbraw/zinc/63/95/39/331639539.db2.gz UVJAVZJWABVQFG-IAGOWNOFSA-N 0 0 287.447 5.164 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@H]1C(C)C ZINC000475614117 331639424 /nfs/dbraw/zinc/63/94/24/331639424.db2.gz UVJAVZJWABVQFG-IRXDYDNUSA-N 0 0 287.447 5.164 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1C[C@@H]1C(C)C ZINC000475614118 331639407 /nfs/dbraw/zinc/63/94/07/331639407.db2.gz UVJAVZJWABVQFG-SJORKVTESA-N 0 0 287.447 5.164 20 0 CKADRN CC(C)(C)c1cnc(SCc2cccc(C(F)F)c2)o1 ZINC000475883699 331647516 /nfs/dbraw/zinc/64/75/16/331647516.db2.gz MQYFGYSQQIKAQR-UHFFFAOYSA-N 0 0 297.370 5.202 20 0 CKADRN C[C@H](Sc1ccc(F)cc1F)c1ncc(C(C)(C)C)o1 ZINC000476477038 331664779 /nfs/dbraw/zinc/66/47/79/331664779.db2.gz RRDBNUZWLULGEV-VIFPVBQESA-N 0 0 297.370 5.104 20 0 CKADRN Cc1cccc(S[C@@H](C)c2ncc(C(C)(C)C)o2)c1 ZINC000476485619 331665060 /nfs/dbraw/zinc/66/50/60/331665060.db2.gz AEAZHLOKGPWREL-LBPRGKRZSA-N 0 0 275.417 5.134 20 0 CKADRN C[C@@H](Sc1cc(F)ccc1F)c1ncc(C(C)(C)C)o1 ZINC000476493374 331665187 /nfs/dbraw/zinc/66/51/87/331665187.db2.gz UDIRENRSLQHEGJ-SECBINFHSA-N 0 0 297.370 5.104 20 0 CKADRN C[C@H](Sc1cc(F)ccc1F)c1ncc(C(C)(C)C)o1 ZINC000476493377 331664715 /nfs/dbraw/zinc/66/47/15/331664715.db2.gz UDIRENRSLQHEGJ-VIFPVBQESA-N 0 0 297.370 5.104 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000476550612 331666200 /nfs/dbraw/zinc/66/62/00/331666200.db2.gz SSZRYWZXJPPEIE-ZDUSSCGKSA-N 0 0 286.419 5.269 20 0 CKADRN Cc1ccc(N[C@H](C)c2ncc(C(C)(C)C)o2)cc1Cl ZINC000476550681 331666217 /nfs/dbraw/zinc/66/62/17/331666217.db2.gz QVERURNGMAQGBJ-LLVKDONJSA-N 0 0 292.810 5.107 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)CC(C)(C)C ZINC000476888285 331670642 /nfs/dbraw/zinc/67/06/42/331670642.db2.gz BZRWRQIICHKKSC-CQSZACIVSA-N 0 0 275.436 5.129 20 0 CKADRN CCC[C@@H](CC)S[C@H](C)c1nnc(-c2cccs2)o1 ZINC000477037914 331673637 /nfs/dbraw/zinc/67/36/37/331673637.db2.gz RNGWEDQYGYKYPB-GHMZBOCLSA-N 0 0 296.461 5.171 20 0 CKADRN CCC[C@H](CC)S[C@H](C)c1nnc(-c2cccs2)o1 ZINC000477037915 331673642 /nfs/dbraw/zinc/67/36/42/331673642.db2.gz RNGWEDQYGYKYPB-MNOVXSKESA-N 0 0 296.461 5.171 20 0 CKADRN CCC[C@@H](CC)S[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000477037917 331673590 /nfs/dbraw/zinc/67/35/90/331673590.db2.gz RNGWEDQYGYKYPB-WDEREUQCSA-N 0 0 296.461 5.171 20 0 CKADRN CCC[C@@H](CC)S[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000477043650 331673799 /nfs/dbraw/zinc/67/37/99/331673799.db2.gz AEGWQQNJBDEZBA-GXTWGEPZSA-N 0 0 290.432 5.110 20 0 CKADRN CCC[C@@H](CC)S[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000477043653 331673809 /nfs/dbraw/zinc/67/38/09/331673809.db2.gz AEGWQQNJBDEZBA-TZMCWYRMSA-N 0 0 290.432 5.110 20 0 CKADRN CCC[C@H](CC)SCC(=O)Nc1ccccc1C(C)C ZINC000477077466 331675488 /nfs/dbraw/zinc/67/54/88/331675488.db2.gz OATVNYOTFMHASY-AWEZNQCLSA-N 0 0 293.476 5.060 20 0 CKADRN CCC[C@@H](CC)SCC(=O)Nc1ccccc1C(C)C ZINC000477077468 331675502 /nfs/dbraw/zinc/67/55/02/331675502.db2.gz OATVNYOTFMHASY-CQSZACIVSA-N 0 0 293.476 5.060 20 0 CKADRN CCC[C@H](CC)SCc1csc([C@H](C)OCC)n1 ZINC000477090883 331675996 /nfs/dbraw/zinc/67/59/96/331675996.db2.gz RMLJCOWSGIFJKY-AAEUAGOBSA-N 0 0 287.494 5.053 20 0 CKADRN CCC[C@@H](CC)SCc1csc([C@H](C)OCC)n1 ZINC000477090889 331675931 /nfs/dbraw/zinc/67/59/31/331675931.db2.gz RMLJCOWSGIFJKY-WCQYABFASA-N 0 0 287.494 5.053 20 0 CKADRN CCC[C@H](CC)SCc1csc([C@@H](C)OCC)n1 ZINC000477090890 331675947 /nfs/dbraw/zinc/67/59/47/331675947.db2.gz RMLJCOWSGIFJKY-YPMHNXCESA-N 0 0 287.494 5.053 20 0 CKADRN CCc1cc(N[C@H](C)c2ncc(C(C)(C)C)o2)ccc1C ZINC000477184767 331678594 /nfs/dbraw/zinc/67/85/94/331678594.db2.gz CPFLKZCJMZXUDG-CYBMUJFWSA-N 0 0 286.419 5.016 20 0 CKADRN CCc1cc(N[C@@H](C)c2ncc(C(C)(C)C)o2)ccc1C ZINC000477184768 331678606 /nfs/dbraw/zinc/67/86/06/331678606.db2.gz CPFLKZCJMZXUDG-ZDUSSCGKSA-N 0 0 286.419 5.016 20 0 CKADRN CCO[C@@H](C)c1nc(-c2csc3ccccc23)cs1 ZINC000477258105 331680331 /nfs/dbraw/zinc/68/03/31/331680331.db2.gz IXUYLEWDMRIZMJ-JTQLQIEISA-N 0 0 289.425 5.122 20 0 CKADRN FC(F)(F)Cc1nc(-c2csc3ccccc23)cs1 ZINC000477269894 331680751 /nfs/dbraw/zinc/68/07/51/331680751.db2.gz CFWYSFZKZYRDIL-UHFFFAOYSA-N 0 0 299.342 5.130 20 0 CKADRN CCS[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000477371285 331682925 /nfs/dbraw/zinc/68/29/25/331682925.db2.gz HEZOOYZZHZVNNV-JTQLQIEISA-N 0 0 281.808 5.118 20 0 CKADRN CCS[C@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000477371286 331682919 /nfs/dbraw/zinc/68/29/19/331682919.db2.gz HEZOOYZZHZVNNV-SNVBAGLBSA-N 0 0 281.808 5.118 20 0 CKADRN Cc1csc(CSc2ccc(Cl)c(Cl)c2)n1 ZINC000477535526 331686530 /nfs/dbraw/zinc/68/65/30/331686530.db2.gz FWNJCTIZLKATKH-UHFFFAOYSA-N 0 0 290.240 5.051 20 0 CKADRN Cc1ccc(-c2ccc(C)c(NC(=O)C3=C(C)CCC3)c2)o1 ZINC000477547939 331686726 /nfs/dbraw/zinc/68/67/26/331686726.db2.gz ABIIMNYINZQWCA-UHFFFAOYSA-N 0 0 295.382 5.002 20 0 CKADRN CCCN(CC)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000477561649 331687015 /nfs/dbraw/zinc/68/70/15/331687015.db2.gz OJQJVAQDFUAEOM-UHFFFAOYSA-N 0 0 290.451 5.197 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC12CCCCC2 ZINC000477755602 331690186 /nfs/dbraw/zinc/69/01/86/331690186.db2.gz OCXDOWGZSPPJKE-INIZCTEOSA-N 0 0 285.431 5.027 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CC12CCCCC2 ZINC000477755849 331690183 /nfs/dbraw/zinc/69/01/83/331690183.db2.gz OCXDOWGZSPPJKE-MRXNPFEDSA-N 0 0 285.431 5.027 20 0 CKADRN CCCCC(=O)Nc1cc(Cl)ccc1-c1ccc(C)o1 ZINC000477889478 331693092 /nfs/dbraw/zinc/69/30/92/331693092.db2.gz QVONWQGWGWILFH-UHFFFAOYSA-N 0 0 291.778 5.037 20 0 CKADRN CC[C@H](C)n1ncc(N[C@H](C)c2csc(Cl)c2)c1C ZINC000477922741 331694066 /nfs/dbraw/zinc/69/40/66/331694066.db2.gz RQVMAEDJIUCFBT-VHSXEESVSA-N 0 0 297.855 5.051 20 0 CKADRN CC[C@@H](C)n1ncc(N[C@@H](C)c2csc(Cl)c2)c1C ZINC000477922742 331694074 /nfs/dbraw/zinc/69/40/74/331694074.db2.gz RQVMAEDJIUCFBT-ZJUUUORDSA-N 0 0 297.855 5.051 20 0 CKADRN CC[C@@H](C)n1ncc(N[C@H](C)c2cc3ccccc3o2)c1C ZINC000477924748 331694331 /nfs/dbraw/zinc/69/43/31/331694331.db2.gz GTOCFCGRKSZGSF-CHWSQXEVSA-N 0 0 297.402 5.082 20 0 CKADRN CC[C@H](C)n1ncc(N[C@H](C)c2cc(C)sc2C)c1C ZINC000477946212 331695199 /nfs/dbraw/zinc/69/51/99/331695199.db2.gz QFCWVLOGGBTWIU-CMPLNLGQSA-N 0 0 291.464 5.014 20 0 CKADRN CC[C@H](C)n1ncc(N[C@@H](C)c2cc(C)sc2C)c1C ZINC000477946220 331695297 /nfs/dbraw/zinc/69/52/97/331695297.db2.gz QFCWVLOGGBTWIU-JQWIXIFHSA-N 0 0 291.464 5.014 20 0 CKADRN CC[C@@H](C)n1ncc(N[C@@H](C)c2cc(C)sc2C)c1C ZINC000477946223 331695256 /nfs/dbraw/zinc/69/52/56/331695256.db2.gz QFCWVLOGGBTWIU-PWSUYJOCSA-N 0 0 291.464 5.014 20 0 CKADRN CC[C@@H](C)n1ncc(N[C@H](C)c2cc(C)sc2C)c1C ZINC000477946226 331695266 /nfs/dbraw/zinc/69/52/66/331695266.db2.gz QFCWVLOGGBTWIU-ZYHUDNBSSA-N 0 0 291.464 5.014 20 0 CKADRN CC[C@@H](C)n1ncc(N[C@@H](C)c2ccc(Cl)s2)c1C ZINC000477952002 331695529 /nfs/dbraw/zinc/69/55/29/331695529.db2.gz YAGFFRGCJRZMQU-ZJUUUORDSA-N 0 0 297.855 5.051 20 0 CKADRN Cc1csc(C(=O)Nc2ccc(C(C)C)cc2)c1Cl ZINC000478205543 331700498 /nfs/dbraw/zinc/70/04/98/331700498.db2.gz BYXSLFZFNFMRDU-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN Cc1csc(C(=O)Nc2cccc(C(C)C)c2)c1Cl ZINC000478290684 331702976 /nfs/dbraw/zinc/70/29/76/331702976.db2.gz LCCDDWOQDFSTIH-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN Cc1cc(NCc2ccc3ncccc3c2)ccc1C1CC1 ZINC000478310530 331703463 /nfs/dbraw/zinc/70/34/63/331703463.db2.gz MXQMDBSUAFNIGV-UHFFFAOYSA-N 0 0 288.394 5.033 20 0 CKADRN CCC(CC)n1ccc(CNc2ccc(C3CC3)c(C)c2)n1 ZINC000478316288 331703753 /nfs/dbraw/zinc/70/37/53/331703753.db2.gz WVAHHZDPAWFHJG-UHFFFAOYSA-N 0 0 297.446 5.042 20 0 CKADRN C/C(=C\c1cccc(-c2ccccc2C)c1)c1cnccn1 ZINC000478337872 331704267 /nfs/dbraw/zinc/70/42/67/331704267.db2.gz MQKNOTPDPAYGNW-FOWTUZBSSA-N 0 0 286.378 5.013 20 0 CKADRN C/C(=C/c1cccc(-c2ccccc2C)c1)c1cnccn1 ZINC000478337876 331704133 /nfs/dbraw/zinc/70/41/33/331704133.db2.gz MQKNOTPDPAYGNW-VBKFSLOCSA-N 0 0 286.378 5.013 20 0 CKADRN Cc1cc(NCc2csc(C(C)C)n2)ccc1C1CC1 ZINC000478350268 331704443 /nfs/dbraw/zinc/70/44/43/331704443.db2.gz XEHVWKBBTBJPFO-UHFFFAOYSA-N 0 0 286.444 5.064 20 0 CKADRN Cc1cc(N[C@H](C)c2ncc(C(C)(C)C)o2)ccc1C1CC1 ZINC000478418985 331705622 /nfs/dbraw/zinc/70/56/22/331705622.db2.gz VXDWZHOKQAWAOC-CYBMUJFWSA-N 0 0 298.430 5.331 20 0 CKADRN Cc1cc(N[C@@H](C)c2nc3ccccc3o2)ccc1C1CC1 ZINC000478424148 331705834 /nfs/dbraw/zinc/70/58/34/331705834.db2.gz ZUVRKEJZODRMSW-ZDUSSCGKSA-N 0 0 292.382 5.187 20 0 CKADRN Cc1cnc([C@@H](C)S[C@H](C)c2cccc(Cl)c2F)o1 ZINC000478668010 331711459 /nfs/dbraw/zinc/71/14/59/331711459.db2.gz BTWLKYIOWVSIRE-NXEZZACHSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1cnc([C@@H](C)S[C@@H](C)c2cccc(Cl)c2F)o1 ZINC000478668012 331711469 /nfs/dbraw/zinc/71/14/69/331711469.db2.gz BTWLKYIOWVSIRE-VHSXEESVSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1cnc([C@H](C)S[C@H](C)c2cccc(Cl)c2F)o1 ZINC000478668013 331711445 /nfs/dbraw/zinc/71/14/45/331711445.db2.gz BTWLKYIOWVSIRE-ZJUUUORDSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1noc(C)c1CS[C@@H](C)c1cccc(Cl)c1F ZINC000478674395 331711432 /nfs/dbraw/zinc/71/14/32/331711432.db2.gz LCCYHKHURFVLLO-JTQLQIEISA-N 0 0 299.798 5.078 20 0 CKADRN Cc1noc(C)c1CS[C@H](C)c1cccc(Cl)c1F ZINC000478674396 331711451 /nfs/dbraw/zinc/71/14/51/331711451.db2.gz LCCYHKHURFVLLO-SNVBAGLBSA-N 0 0 299.798 5.078 20 0 CKADRN Cc1coc(S[C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000478712111 331712172 /nfs/dbraw/zinc/71/21/72/331712172.db2.gz RHRFNWDKSFBURR-MRXNPFEDSA-N 0 0 299.370 5.004 20 0 CKADRN Cc1coc(S[C@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000478726369 331712378 /nfs/dbraw/zinc/71/23/78/331712378.db2.gz XRFUDDPRKJEJSH-MRVPVSSYSA-N 0 0 288.199 5.143 20 0 CKADRN Cc1coc(S[C@@H](C)c2ccc(Cl)c(Cl)c2)n1 ZINC000478726370 331712323 /nfs/dbraw/zinc/71/23/23/331712323.db2.gz XRFUDDPRKJEJSH-QMMMGPOBSA-N 0 0 288.199 5.143 20 0 CKADRN Cc1ccc(CSCc2ccc(C(F)F)cc2)c(C)n1 ZINC000478904775 331716321 /nfs/dbraw/zinc/71/63/21/331716321.db2.gz BGMQZZQEEIQNHE-UHFFFAOYSA-N 0 0 293.382 5.069 20 0 CKADRN Cc1cc(NCc2cnc3ccccc3c2)ccc1C1CC1 ZINC000479419572 331728508 /nfs/dbraw/zinc/72/85/08/331728508.db2.gz QEXSSMXBEDMNEW-UHFFFAOYSA-N 0 0 288.394 5.033 20 0 CKADRN Cc1cc(NCc2cnc(C(C)C)s2)ccc1C1CC1 ZINC000479429650 331729023 /nfs/dbraw/zinc/72/90/23/331729023.db2.gz WOFGGTNJSPMBKU-UHFFFAOYSA-N 0 0 286.444 5.064 20 0 CKADRN Cc1nc(CSCc2cccc(C(F)F)c2)sc1C ZINC000479586982 331739329 /nfs/dbraw/zinc/73/93/29/331739329.db2.gz UCJFBCYNWOJFEE-UHFFFAOYSA-N 0 0 299.411 5.131 20 0 CKADRN Cc1nc(CSCc2cccc(C(F)F)c2)c(C)s1 ZINC000479601018 331739968 /nfs/dbraw/zinc/73/99/68/331739968.db2.gz NBWIKKCZZRVNEG-UHFFFAOYSA-N 0 0 299.411 5.131 20 0 CKADRN C[C@@H](CSCc1cccc(C(F)F)c1)C(F)(F)F ZINC000479602912 331740287 /nfs/dbraw/zinc/74/02/87/331740287.db2.gz YSQBLTNYNQTDGV-QMMMGPOBSA-N 0 0 284.293 5.056 20 0 CKADRN Cc1cc(C)c(NC(=O)c2ccc(C3CCC3)cc2)c(C)c1 ZINC000479628844 331741437 /nfs/dbraw/zinc/74/14/37/331741437.db2.gz ZNNQYYIYYFLAEM-UHFFFAOYSA-N 0 0 293.410 5.132 20 0 CKADRN CCc1cccc(C)c1NC(=O)c1ccc(C2CCC2)cc1 ZINC000479630036 331741476 /nfs/dbraw/zinc/74/14/76/331741476.db2.gz SPARPDADAPWJSC-UHFFFAOYSA-N 0 0 293.410 5.077 20 0 CKADRN CC[C@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000479656929 331741874 /nfs/dbraw/zinc/74/18/74/331741874.db2.gz HEPDEFJBGDKHQV-AWEZNQCLSA-N 0 0 275.436 5.308 20 0 CKADRN CC[C@@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000479656931 331741844 /nfs/dbraw/zinc/74/18/44/331741844.db2.gz HEPDEFJBGDKHQV-CQSZACIVSA-N 0 0 275.436 5.308 20 0 CKADRN Cc1ccc(-c2cccnc2)cc1N[C@H](C)c1ccccc1 ZINC000479815241 331746336 /nfs/dbraw/zinc/74/63/36/331746336.db2.gz DETBZDYGFFLQOJ-MRXNPFEDSA-N 0 0 288.394 5.230 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)c1ccc(C2CCC2)cc1 ZINC000479872809 534734650 /nfs/dbraw/zinc/73/46/50/534734650.db2.gz KVOWMJXTADJNBZ-UHFFFAOYSA-N 0 0 299.801 5.168 20 0 CKADRN CCCC(CCC)[S@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000480006988 331754122 /nfs/dbraw/zinc/75/41/22/331754122.db2.gz BQTKMRNYWLQEFL-KZULUSFZSA-N 0 0 286.868 5.119 20 0 CKADRN CCCC(CCC)[S@@](=O)[C@@H](C)c1cccc(Cl)c1 ZINC000480006990 331754088 /nfs/dbraw/zinc/75/40/88/331754088.db2.gz BQTKMRNYWLQEFL-SGTLLEGYSA-N 0 0 286.868 5.119 20 0 CKADRN CCCC(CCC)[S@@](=O)[C@H](C)c1cccc(Cl)c1 ZINC000480006991 331754128 /nfs/dbraw/zinc/75/41/28/331754128.db2.gz BQTKMRNYWLQEFL-XIKOKIGWSA-N 0 0 286.868 5.119 20 0 CKADRN CSc1cccc(NCc2cccc(C(F)F)c2)c1C ZINC000480131687 331758992 /nfs/dbraw/zinc/75/89/92/331758992.db2.gz DLCMFPQGKAXJOV-UHFFFAOYSA-N 0 0 293.382 5.267 20 0 CKADRN FC(F)(F)Cc1nc(-c2ccc3ccccc3c2)cs1 ZINC000480148276 331759884 /nfs/dbraw/zinc/75/98/84/331759884.db2.gz SNZQEOFOPGDKQZ-UHFFFAOYSA-N 0 0 293.313 5.068 20 0 CKADRN CSc1cccc(C)c1NCc1cccc(C(F)F)c1 ZINC000480148427 331759887 /nfs/dbraw/zinc/75/98/87/331759887.db2.gz MAJXIFBBXNQMSD-UHFFFAOYSA-N 0 0 293.382 5.267 20 0 CKADRN CC(F)(F)c1cccc(NCc2cccc(C(F)F)c2)c1 ZINC000480161409 331760279 /nfs/dbraw/zinc/76/02/79/331760279.db2.gz ISYSYKVEKFODLM-UHFFFAOYSA-N 0 0 297.295 5.348 20 0 CKADRN CC(C)c1cccc(N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000480172453 331761429 /nfs/dbraw/zinc/76/14/29/331761429.db2.gz SXMRYPYQGWYZIR-GFCCVEGCSA-N 0 0 274.795 5.032 20 0 CKADRN CC(C)c1cccc(N[C@@H](C)c2ccc(Cl)cn2)c1 ZINC000480172454 331761492 /nfs/dbraw/zinc/76/14/92/331761492.db2.gz SXMRYPYQGWYZIR-LBPRGKRZSA-N 0 0 274.795 5.032 20 0 CKADRN CC(C)c1ccc(N[C@H](C)c2ccc(Cl)cn2)cc1 ZINC000480182845 331761868 /nfs/dbraw/zinc/76/18/68/331761868.db2.gz QGCKVRJNDRYPNO-GFCCVEGCSA-N 0 0 274.795 5.032 20 0 CKADRN Clc1cccc(-c2cnc(CSC3CCCC3)o2)c1 ZINC000480236902 331764163 /nfs/dbraw/zinc/76/41/63/331764163.db2.gz OTPVLPJDGFXAEG-UHFFFAOYSA-N 0 0 293.819 5.171 20 0 CKADRN Clc1ccc(-c2nc(CSC3CCCC3)co2)cc1 ZINC000480262900 331764970 /nfs/dbraw/zinc/76/49/70/331764970.db2.gz JMAHLNXYIWRWTN-UHFFFAOYSA-N 0 0 293.819 5.171 20 0 CKADRN CSc1ccc(C)c(N[C@H](C)CCCC(F)(F)F)c1 ZINC000480294812 331766564 /nfs/dbraw/zinc/76/65/64/331766564.db2.gz PUIJRSCNUITYGY-LLVKDONJSA-N 0 0 291.382 5.250 20 0 CKADRN 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CKADRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)CCC2CC2)cc1 ZINC000489481417 332055204 /nfs/dbraw/zinc/05/52/04/332055204.db2.gz DXHAFJAMAHFFQZ-IBGZPJMESA-N 0 0 299.458 5.054 20 0 CKADRN CC(C)c1ccc([C@H]2CCCCN2C(=O)CCC2CC2)cc1 ZINC000489481419 332055295 /nfs/dbraw/zinc/05/52/95/332055295.db2.gz DXHAFJAMAHFFQZ-LJQANCHMSA-N 0 0 299.458 5.054 20 0 CKADRN CC(C)c1ccc([C@@H]2CCCCN2C(=O)C2CCCC2)cc1 ZINC000489491032 332055921 /nfs/dbraw/zinc/05/59/21/332055921.db2.gz VFBOKADOMNZKTK-IBGZPJMESA-N 0 0 299.458 5.054 20 0 CKADRN CC(C)c1ccc([C@H]2CCCCN2C(=O)C2CCCC2)cc1 ZINC000489491035 332056092 /nfs/dbraw/zinc/05/60/92/332056092.db2.gz VFBOKADOMNZKTK-LJQANCHMSA-N 0 0 299.458 5.054 20 0 CKADRN C(=C\c1cccc(-c2cccnc2)c1)\c1nc2ccccc2o1 ZINC000489724918 332066155 /nfs/dbraw/zinc/06/61/55/332066155.db2.gz BKNMRVJBBNSLIK-KHPPLWFESA-N 0 0 298.345 5.060 20 0 CKADRN C(=C/c1cccc(-c2cccnc2)c1)\c1nc2ccccc2o1 ZINC000489724919 332066130 /nfs/dbraw/zinc/06/61/30/332066130.db2.gz BKNMRVJBBNSLIK-ZHACJKMWSA-N 0 0 298.345 5.060 20 0 CKADRN CCN(C(=O)c1ccc(C(C)C)cc1)c1cc(C)ccc1C ZINC000489958506 332074508 /nfs/dbraw/zinc/07/45/08/332074508.db2.gz QBQBVVNMVZYJRY-UHFFFAOYSA-N 0 0 295.426 5.094 20 0 CKADRN CC(C)c1noc([C@@H](C)Sc2ccc3ccccc3c2)n1 ZINC000490259238 332085617 /nfs/dbraw/zinc/08/56/17/332085617.db2.gz NFIIJSNSPZSOBZ-GFCCVEGCSA-N 0 0 298.411 5.200 20 0 CKADRN CC(C)c1noc([C@H](C)Sc2ccc3ccccc3c2)n1 ZINC000490259262 332085631 /nfs/dbraw/zinc/08/56/31/332085631.db2.gz NFIIJSNSPZSOBZ-LBPRGKRZSA-N 0 0 298.411 5.200 20 0 CKADRN O=C(Nc1csc2ccccc12)c1sccc1C1CC1 ZINC000490289759 332086085 /nfs/dbraw/zinc/08/60/85/332086085.db2.gz QVDCSQVOAMQOOZ-UHFFFAOYSA-N 0 0 299.420 5.093 20 0 CKADRN Cc1cccc(C)c1NC(=O)Nc1csc2ccccc12 ZINC000491366924 332197950 /nfs/dbraw/zinc/19/79/50/332197950.db2.gz KPEKKKBDIWUVEN-UHFFFAOYSA-N 0 0 296.395 5.162 20 0 CKADRN Clc1ccc(CSc2cccc3cccnc32)s1 ZINC000491376857 332200569 /nfs/dbraw/zinc/20/05/69/332200569.db2.gz YCMPBEKPVIFBQC-UHFFFAOYSA-N 0 0 291.828 5.242 20 0 CKADRN Cc1c(Cl)cccc1C(=O)Nc1ccccc1C(C)C ZINC000491867706 332372863 /nfs/dbraw/zinc/37/28/63/332372863.db2.gz JNHWANRZMHRGQX-UHFFFAOYSA-N 0 0 287.790 5.024 20 0 CKADRN CC(C)c1ccccc1OCc1cc(-c2ccccc2)no1 ZINC000492122977 332383807 /nfs/dbraw/zinc/38/38/07/332383807.db2.gz UGGUYHHWTZYFPC-UHFFFAOYSA-N 0 0 293.366 5.044 20 0 CKADRN CC[C@@H](Sc1nc2ccccc2o1)c1ccccc1 ZINC000494093037 332463269 /nfs/dbraw/zinc/46/32/69/332463269.db2.gz WAZOVFDVKBGEJK-OAHLLOKOSA-N 0 0 269.369 5.071 20 0 CKADRN Cc1ccc(N[C@H](C)c2cccs2)cc1OC(C)C ZINC000494465600 332474284 /nfs/dbraw/zinc/47/42/84/332474284.db2.gz BPFAIYNJGDBGHM-CYBMUJFWSA-N 0 0 275.417 5.017 20 0 CKADRN CC[C@@H](Nc1ccc(C2CCC2)cc1)c1ccc(F)cn1 ZINC000494468220 332474592 /nfs/dbraw/zinc/47/45/92/332474592.db2.gz BGLLOUZVKSIEEP-QGZVFWFLSA-N 0 0 284.378 5.051 20 0 CKADRN CCc1cccnc1[C@@H](C)Nc1ccc(C2CCC2)cc1 ZINC000494468231 332474577 /nfs/dbraw/zinc/47/45/77/332474577.db2.gz AKBBBOSLMHWULX-CQSZACIVSA-N 0 0 280.415 5.085 20 0 CKADRN Cc1nc(C)c([C@@H](C)Nc2ccc(C3CCC3)cc2)s1 ZINC000494474602 332474735 /nfs/dbraw/zinc/47/47/35/332474735.db2.gz KPPQLQSGIHBLQW-GFCCVEGCSA-N 0 0 286.444 5.201 20 0 CKADRN Cc1c([C@H](C)Nc2ccc(C3CCC3)cc2)cnn1C(C)C ZINC000494479424 332475063 /nfs/dbraw/zinc/47/50/63/332475063.db2.gz XUUOZTZSYUJIEV-AWEZNQCLSA-N 0 0 297.446 5.213 20 0 CKADRN Cc1c([C@@H](C)Nc2ccc(C3CCC3)cc2)cnn1C(C)C ZINC000494479427 332475069 /nfs/dbraw/zinc/47/50/69/332475069.db2.gz XUUOZTZSYUJIEV-CQSZACIVSA-N 0 0 297.446 5.213 20 0 CKADRN C[C@H](Nc1ccc(C2CCC2)cc1)c1ccc2c(c1)COC2 ZINC000494489111 332475603 /nfs/dbraw/zinc/47/56/03/332475603.db2.gz VHIGAPXWZWNIGK-AWEZNQCLSA-N 0 0 293.410 5.157 20 0 CKADRN CCC[C@@H](Nc1ccc(C)c(OC(C)C)c1)c1cccnc1 ZINC000494494946 332475764 /nfs/dbraw/zinc/47/57/64/332475764.db2.gz MJYLJXDNHJWKGQ-GOSISDBHSA-N 0 0 298.430 5.131 20 0 CKADRN CCC[C@H](Nc1ccc(C)c(OC(C)C)c1)c1cccnc1 ZINC000494494948 332475782 /nfs/dbraw/zinc/47/57/82/332475782.db2.gz MJYLJXDNHJWKGQ-SFHVURJKSA-N 0 0 298.430 5.131 20 0 CKADRN CCC[C@@H](Nc1ccc(C2CCC2)cc1)c1cccnc1 ZINC000494496695 332475965 /nfs/dbraw/zinc/47/59/65/332475965.db2.gz VABBNFKVYIHTIT-LJQANCHMSA-N 0 0 280.415 5.302 20 0 CKADRN Cc1ccc(N[C@H](C)c2ccsc2)cc1OC(C)C ZINC000494513718 332476622 /nfs/dbraw/zinc/47/66/22/332476622.db2.gz UVBNSSNMZSGPCD-CYBMUJFWSA-N 0 0 275.417 5.017 20 0 CKADRN CCCc1nc(CSc2ccc(Cl)cc2)cs1 ZINC000495309176 332514358 /nfs/dbraw/zinc/51/43/58/332514358.db2.gz ANNDZCHHQHFEOB-UHFFFAOYSA-N 0 0 283.849 5.041 20 0 CKADRN C[C@H](Nc1csc2ccccc12)c1ccc2c(c1)COC2 ZINC000495405887 332517384 /nfs/dbraw/zinc/51/73/84/332517384.db2.gz CNPNAMBEKFJVRC-LBPRGKRZSA-N 0 0 295.407 5.105 20 0 CKADRN CC(C)[C@H](Nc1csc2ccccc12)c1cccnc1 ZINC000495406454 332517457 /nfs/dbraw/zinc/51/74/57/332517457.db2.gz FXJDAPWBLCZGNP-KRWDZBQOSA-N 0 0 282.412 5.106 20 0 CKADRN C[C@H](Nc1csc2ccccc12)c1cccs1 ZINC000495420836 332518455 /nfs/dbraw/zinc/51/84/55/332518455.db2.gz LPJYWFVBFJARDT-JTQLQIEISA-N 0 0 259.399 5.136 20 0 CKADRN CC(C)c1cc(S[C@H](C)c2ccc(Cl)cc2)ncn1 ZINC000495494693 332520793 /nfs/dbraw/zinc/52/07/93/332520793.db2.gz GBMLTPCVMDSMFW-LLVKDONJSA-N 0 0 292.835 5.107 20 0 CKADRN CC(C)c1cc(S[C@@H](C)c2ccc(Cl)cc2)ncn1 ZINC000495494694 332520770 /nfs/dbraw/zinc/52/07/70/332520770.db2.gz GBMLTPCVMDSMFW-NSHDSACASA-N 0 0 292.835 5.107 20 0 CKADRN CC(C)OCc1ccc(N[C@@H](C)CCc2ccccc2)cc1 ZINC000495637097 332525742 /nfs/dbraw/zinc/52/57/42/332525742.db2.gz JGTHXMYSTQUKAT-KRWDZBQOSA-N 0 0 297.442 5.045 20 0 CKADRN CC[C@@H](Nc1ccc(CCSC)cc1)c1ccccc1 ZINC000495670391 332526689 /nfs/dbraw/zinc/52/66/89/332526689.db2.gz RBHPTYNBNACWOE-GOSISDBHSA-N 0 0 285.456 5.155 20 0 CKADRN CC[C@H](Nc1ccc(CCSC)cc1)c1ccccc1 ZINC000495670396 332526669 /nfs/dbraw/zinc/52/66/69/332526669.db2.gz RBHPTYNBNACWOE-SFHVURJKSA-N 0 0 285.456 5.155 20 0 CKADRN C[C@H](Nc1ccc2scnc2c1)c1cccc(Cl)c1 ZINC000495723615 332528176 /nfs/dbraw/zinc/52/81/76/332528176.db2.gz HZAFFFIDKMBPAA-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN C[C@H](Nc1ccc2scnc2c1)c1ccccc1Cl ZINC000495723887 332528336 /nfs/dbraw/zinc/52/83/36/332528336.db2.gz KQEWYKNJRURWKP-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN C[C@@H](Nc1ccc2scnc2c1)c1ccccc1Cl ZINC000495723888 332528309 /nfs/dbraw/zinc/52/83/09/332528309.db2.gz KQEWYKNJRURWKP-SNVBAGLBSA-N 0 0 288.803 5.123 20 0 CKADRN C[C@H](Nc1ccc2scnc2c1)c1ccc(Cl)cc1 ZINC000495726686 332528276 /nfs/dbraw/zinc/52/82/76/332528276.db2.gz SRJVAPASOANUSM-JTQLQIEISA-N 0 0 288.803 5.123 20 0 CKADRN C[C@@H](Nc1ccc2scnc2c1)c1ccc(Cl)cc1 ZINC000495726687 332528325 /nfs/dbraw/zinc/52/83/25/332528325.db2.gz SRJVAPASOANUSM-SNVBAGLBSA-N 0 0 288.803 5.123 20 0 CKADRN CC[C@H](Nc1ccc(CSC)cc1)c1ccccc1 ZINC000495728121 262294208 /nfs/dbraw/zinc/29/42/08/262294208.db2.gz WHRWDWPWZLJJCI-KRWDZBQOSA-N 0 0 271.429 5.113 20 0 CKADRN CC[C@@H](Nc1ccc(CSC)cc1)c1ccccc1 ZINC000495728134 262293981 /nfs/dbraw/zinc/29/39/81/262293981.db2.gz WHRWDWPWZLJJCI-QGZVFWFLSA-N 0 0 271.429 5.113 20 0 CKADRN CSc1ccc(C)c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000497206852 262104428 /nfs/dbraw/zinc/10/44/28/262104428.db2.gz RSNIUVMMYOCKPM-UHFFFAOYSA-N 0 0 299.439 5.093 20 0 CKADRN CCCc1ccccc1NC(=O)[C@H](CCC)c1ccccc1 ZINC000497472385 262166908 /nfs/dbraw/zinc/16/69/08/262166908.db2.gz YSBCQMBYIUAJIV-GOSISDBHSA-N 0 0 295.426 5.162 20 0 CKADRN CCCc1ccccc1NC(=O)[C@@H](CCC)c1ccccc1 ZINC000497472388 262167158 /nfs/dbraw/zinc/16/71/58/262167158.db2.gz YSBCQMBYIUAJIV-SFHVURJKSA-N 0 0 295.426 5.162 20 0 CKADRN CCCc1ccccc1NC(=O)c1ccc(C(C)C)cc1 ZINC000497476404 262167891 /nfs/dbraw/zinc/16/78/91/262167891.db2.gz JWXDYQMLPSPEDS-UHFFFAOYSA-N 0 0 281.399 5.015 20 0 CKADRN CCCc1ccccc1NC(=O)c1csc2ccccc12 ZINC000497480843 262168593 /nfs/dbraw/zinc/16/85/93/262168593.db2.gz PBHKVXCZEULARB-UHFFFAOYSA-N 0 0 295.407 5.106 20 0 CKADRN CCCc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000497516861 262172347 /nfs/dbraw/zinc/17/23/47/262172347.db2.gz KNAWOCWSIBYYHS-UHFFFAOYSA-N 0 0 281.399 5.015 20 0 CKADRN CC(C)c1ccccc1NC(=O)c1csc2ccccc12 ZINC000497519992 262172359 /nfs/dbraw/zinc/17/23/59/262172359.db2.gz FUONFLPETHEKAG-UHFFFAOYSA-N 0 0 295.407 5.277 20 0 CKADRN Cc1cccc(Oc2ccccc2NC(=O)[C@@H](C)C(C)C)c1 ZINC000497530952 262173912 /nfs/dbraw/zinc/17/39/12/262173912.db2.gz BQTBKWAOKWJWAL-HNNXBMFYSA-N 0 0 297.398 5.018 20 0 CKADRN Cc1cccc(Oc2ccccc2NC(=O)[C@H](C)C(C)C)c1 ZINC000497530957 262173809 /nfs/dbraw/zinc/17/38/09/262173809.db2.gz BQTBKWAOKWJWAL-OAHLLOKOSA-N 0 0 297.398 5.018 20 0 CKADRN Cc1cccc2cc(C(=O)Nc3ccccc3C(C)C)oc21 ZINC000497533691 262173471 /nfs/dbraw/zinc/17/34/71/262173471.db2.gz OKEOFJUHJDBHGP-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)C(C)C)cc1 ZINC000497544469 327867953 /nfs/dbraw/zinc/86/79/53/327867953.db2.gz YZUOZXXIAVXTHJ-HNNXBMFYSA-N 0 0 297.398 5.018 20 0 CKADRN Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)C(C)C)cc1 ZINC000497544470 262174448 /nfs/dbraw/zinc/17/44/48/262174448.db2.gz YZUOZXXIAVXTHJ-OAHLLOKOSA-N 0 0 297.398 5.018 20 0 CKADRN Cc1ccccc1SCc1csc(C(C)(C)C)n1 ZINC000497564414 262176430 /nfs/dbraw/zinc/17/64/30/262176430.db2.gz NQKWHEKOEAHUSV-UHFFFAOYSA-N 0 0 277.458 5.041 20 0 CKADRN CC(C)c1ccccc1OCc1cc(F)cc2cccnc21 ZINC000497672235 262187390 /nfs/dbraw/zinc/18/73/90/262187390.db2.gz ZJAVYNNRUJUCDE-UHFFFAOYSA-N 0 0 295.357 5.076 20 0 CKADRN C[C@@H](Sc1ccc(O)cc1)c1ccc(F)c(Cl)c1 ZINC000497687521 262190111 /nfs/dbraw/zinc/19/01/11/262190111.db2.gz USFXPEVJRJTJMW-SECBINFHSA-N 0 0 282.767 5.038 20 0 CKADRN C[C@H](Sc1ccc(O)cc1)c1ccc(F)c(Cl)c1 ZINC000497687522 262190116 /nfs/dbraw/zinc/19/01/16/262190116.db2.gz USFXPEVJRJTJMW-VIFPVBQESA-N 0 0 282.767 5.038 20 0 CKADRN C/C=C\c1ccc(Oc2nc3ccccc3s2)c(OC)c1 ZINC000497722379 262195943 /nfs/dbraw/zinc/19/59/43/262195943.db2.gz BQBNIYGHJMYRHO-UTCJRWHESA-N 0 0 297.379 5.130 20 0 CKADRN CCCCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000497766386 262203133 /nfs/dbraw/zinc/20/31/33/262203133.db2.gz NIUNPMVMRFHSNU-UHFFFAOYSA-N 0 0 294.609 5.166 20 0 CKADRN CC(C)(C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000497772419 262203985 /nfs/dbraw/zinc/20/39/85/262203985.db2.gz FVJBVPZUEPKSQH-UHFFFAOYSA-N 0 0 294.609 5.022 20 0 CKADRN CC(C)CCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000497775955 262205181 /nfs/dbraw/zinc/20/51/81/262205181.db2.gz OYHKGADAQAEICG-UHFFFAOYSA-N 0 0 294.609 5.022 20 0 CKADRN CC(C)c1ccc(NC(=O)[C@H](C)C(C)C)c(C(C)C)c1 ZINC000497803702 327878620 /nfs/dbraw/zinc/87/86/20/327878620.db2.gz HZVOUEHPFBDAOW-CQSZACIVSA-N 0 0 275.436 5.164 20 0 CKADRN CC(C)[C@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1 ZINC000497829984 262214164 /nfs/dbraw/zinc/21/41/64/262214164.db2.gz ASDWRBNVYLZRLB-DLBZAZTESA-N 0 0 295.426 5.073 20 0 CKADRN CC(C)[C@@H](C)C(=O)N(c1ccccc1)[C@H](C)c1ccccc1 ZINC000497829985 262214503 /nfs/dbraw/zinc/21/45/03/262214503.db2.gz ASDWRBNVYLZRLB-IAGOWNOFSA-N 0 0 295.426 5.073 20 0 CKADRN CC(C)[C@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 ZINC000497829986 262214518 /nfs/dbraw/zinc/21/45/18/262214518.db2.gz ASDWRBNVYLZRLB-IRXDYDNUSA-N 0 0 295.426 5.073 20 0 CKADRN CC(C)[C@@H](C)C(=O)N(c1ccccc1)[C@@H](C)c1ccccc1 ZINC000497829987 262214160 /nfs/dbraw/zinc/21/41/60/262214160.db2.gz ASDWRBNVYLZRLB-SJORKVTESA-N 0 0 295.426 5.073 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000498051599 262265723 /nfs/dbraw/zinc/26/57/23/262265723.db2.gz CLWNDNWWYIMBNC-KBPBESRZSA-N 0 0 293.476 5.116 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)[C@@H](C)C(C)C)c(C)c1 ZINC000498051600 262266027 /nfs/dbraw/zinc/26/60/27/262266027.db2.gz CLWNDNWWYIMBNC-KGLIPLIRSA-N 0 0 293.476 5.116 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)[C@H](C)C(C)C)c(C)c1 ZINC000498051601 262265644 /nfs/dbraw/zinc/26/56/44/262265644.db2.gz CLWNDNWWYIMBNC-UONOGXRCSA-N 0 0 293.476 5.116 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)[C@H](C)C(C)C)c(C)c1 ZINC000498051602 262265901 /nfs/dbraw/zinc/26/59/01/262265901.db2.gz CLWNDNWWYIMBNC-ZIAGYGMSSA-N 0 0 293.476 5.116 20 0 CKADRN Cc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)s1 ZINC000498094146 534260926 /nfs/dbraw/zinc/26/09/26/534260926.db2.gz FWTLIXOHQNIXMZ-UHFFFAOYSA-N 0 0 299.439 5.036 20 0 CKADRN Cc1ccsc1C(=O)N(c1ccccc1)C1CCCCC1 ZINC000498094896 534457384 /nfs/dbraw/zinc/45/73/84/534457384.db2.gz MCLRSDDHVJQVDU-UHFFFAOYSA-N 0 0 299.439 5.036 20 0 CKADRN CC(=O)[C@@H](Sc1ccc(C(C)C)cc1)c1ccccc1 ZINC000498109165 329362972 /nfs/dbraw/zinc/36/29/72/329362972.db2.gz WXKYNFWIAPHPDF-GOSISDBHSA-N 0 0 284.424 5.232 20 0 CKADRN CC(=O)[C@H](Sc1ccc(C(C)C)cc1)c1ccccc1 ZINC000498109166 329362998 /nfs/dbraw/zinc/36/29/98/329362998.db2.gz WXKYNFWIAPHPDF-SFHVURJKSA-N 0 0 284.424 5.232 20 0 CKADRN Cc1noc(C)c1CS[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000498133039 329412769 /nfs/dbraw/zinc/41/27/69/329412769.db2.gz VCCHDDBSXAUQTL-JTQLQIEISA-N 0 0 299.798 5.078 20 0 CKADRN CC(C)SCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000498565526 332044673 /nfs/dbraw/zinc/04/46/73/332044673.db2.gz ZPRPKLHXJJNHNJ-UHFFFAOYSA-N 0 0 297.876 5.029 20 0 CKADRN CC(C)c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000498747033 332572286 /nfs/dbraw/zinc/57/22/86/332572286.db2.gz IJDYDDWIDMDXHR-GOSISDBHSA-N 0 0 286.394 5.153 20 0 CKADRN CC(C)c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000498747034 332572266 /nfs/dbraw/zinc/57/22/66/332572266.db2.gz IJDYDDWIDMDXHR-SFHVURJKSA-N 0 0 286.394 5.153 20 0 CKADRN CC(C)c1cccc(N[C@@H](c2ccc(F)cn2)C(C)C)c1 ZINC000498748735 332572312 /nfs/dbraw/zinc/57/23/12/332572312.db2.gz OFKIEQACZJHQLF-GOSISDBHSA-N 0 0 286.394 5.153 20 0 CKADRN CCC[C@@H](C)CC(=O)Nc1ccccc1-c1cccs1 ZINC000499287542 332583548 /nfs/dbraw/zinc/58/35/48/332583548.db2.gz LJJWTXINSLIWCA-CYBMUJFWSA-N 0 0 287.428 5.180 20 0 CKADRN Cc1ncc(CSc2ccc(Cl)c(Cl)c2)s1 ZINC000499311599 332584023 /nfs/dbraw/zinc/58/40/23/332584023.db2.gz UBNYLWWRXWONEZ-UHFFFAOYSA-N 0 0 290.240 5.051 20 0 CKADRN CCC[C@H](C)CC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000499339454 332584515 /nfs/dbraw/zinc/58/45/15/332584515.db2.gz DZTRDCRETGMALU-LBPRGKRZSA-N 0 0 295.854 5.230 20 0 CKADRN CCCCC(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000499725021 332592231 /nfs/dbraw/zinc/59/22/31/332592231.db2.gz KVYFCPWJLSBLRS-ZDUSSCGKSA-N 0 0 279.449 5.014 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)CCC(C)C)c(C)c1 ZINC000499728629 332592179 /nfs/dbraw/zinc/59/21/79/332592179.db2.gz YKXKKJQAOYSFNN-AWEZNQCLSA-N 0 0 293.476 5.260 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)CCC(C)C)c(C)c1 ZINC000499728630 332591646 /nfs/dbraw/zinc/59/16/46/332591646.db2.gz YKXKKJQAOYSFNN-CQSZACIVSA-N 0 0 293.476 5.260 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)C2CCCC2)c(C)c1 ZINC000499732499 332592496 /nfs/dbraw/zinc/59/24/96/332592496.db2.gz PMOGQVWHYPNTRC-CYBMUJFWSA-N 0 0 291.460 5.014 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)C2CCCC2)c(C)c1 ZINC000499732502 332592586 /nfs/dbraw/zinc/59/25/86/332592586.db2.gz PMOGQVWHYPNTRC-ZDUSSCGKSA-N 0 0 291.460 5.014 20 0 CKADRN CCC[C@@H](C)C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000499742236 332592775 /nfs/dbraw/zinc/59/27/75/332592775.db2.gz KAJLUDPUZQMXGR-OCCSQVGLSA-N 0 0 293.476 5.260 20 0 CKADRN CCC[C@@H](C)C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000499742237 332592641 /nfs/dbraw/zinc/59/26/41/332592641.db2.gz KAJLUDPUZQMXGR-TZMCWYRMSA-N 0 0 293.476 5.260 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)CC(C)(C)C)c(C)c1 ZINC000499800232 332593555 /nfs/dbraw/zinc/59/35/55/332593555.db2.gz OGUGPBAYOLYWDP-ZDUSSCGKSA-N 0 0 293.476 5.260 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000499805224 332593666 /nfs/dbraw/zinc/59/36/66/332593666.db2.gz VYFVIADOWULILS-AWEZNQCLSA-N 0 0 299.439 5.138 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000499805227 332593430 /nfs/dbraw/zinc/59/34/30/332593430.db2.gz VYFVIADOWULILS-CQSZACIVSA-N 0 0 299.439 5.138 20 0 CKADRN CCCC[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000500029194 332597864 /nfs/dbraw/zinc/59/78/64/332597864.db2.gz ZVNWGKQVONYQKS-HNNXBMFYSA-N 0 0 281.399 5.118 20 0 CKADRN CCCC[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000500029195 332597747 /nfs/dbraw/zinc/59/77/47/332597747.db2.gz ZVNWGKQVONYQKS-OAHLLOKOSA-N 0 0 281.399 5.118 20 0 CKADRN CC(C)(C)c1cnc(CSCc2ccc(Cl)cc2)o1 ZINC000500260019 332604016 /nfs/dbraw/zinc/60/40/16/332604016.db2.gz DBUSPMMASUEWDN-UHFFFAOYSA-N 0 0 295.835 5.059 20 0 CKADRN CC(C)(C)c1cnc(CSCc2ccccc2Cl)o1 ZINC000500264988 332603944 /nfs/dbraw/zinc/60/39/44/332603944.db2.gz BVAVUAWRRQFXOU-UHFFFAOYSA-N 0 0 295.835 5.059 20 0 CKADRN Cc1ccc(CSCc2ncc(-c3ccccc3)o2)cc1 ZINC000500269112 332604263 /nfs/dbraw/zinc/60/42/63/332604263.db2.gz WUPAREBADQZRLP-UHFFFAOYSA-N 0 0 295.407 5.083 20 0 CKADRN Cc1cc(C)cc(CSCc2ncc(C(C)(C)C)o2)c1 ZINC000500275206 332604150 /nfs/dbraw/zinc/60/41/50/332604150.db2.gz GKPOBJRFBSOZSM-UHFFFAOYSA-N 0 0 289.444 5.022 20 0 CKADRN Cc1cc2cc(N[C@H](C)c3ccccc3Cl)ccc2[nH]1 ZINC000500280882 332604256 /nfs/dbraw/zinc/60/42/56/332604256.db2.gz PUWLZGKPXWSHAH-GFCCVEGCSA-N 0 0 284.790 5.303 20 0 CKADRN Cc1cc2cc(N[C@@H](C)c3ccccc3Cl)ccc2[nH]1 ZINC000500280894 332604255 /nfs/dbraw/zinc/60/42/55/332604255.db2.gz PUWLZGKPXWSHAH-LBPRGKRZSA-N 0 0 284.790 5.303 20 0 CKADRN C[C@H](SCc1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000500282461 332604375 /nfs/dbraw/zinc/60/43/75/332604375.db2.gz SAKZMXCGAZTIAU-AWEZNQCLSA-N 0 0 295.407 5.336 20 0 CKADRN Cc1cc2cc(N[C@H](C)c3cccc(Cl)c3)ccc2[nH]1 ZINC000500286854 332604339 /nfs/dbraw/zinc/60/43/39/332604339.db2.gz JDOCSWGDDUWVMQ-GFCCVEGCSA-N 0 0 284.790 5.303 20 0 CKADRN CC[C@H](Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 ZINC000500288796 332604360 /nfs/dbraw/zinc/60/43/60/332604360.db2.gz JLZVYBJMSCTGEO-KRWDZBQOSA-N 0 0 264.372 5.040 20 0 CKADRN CC[C@@H](Nc1ccc2[nH]c(C)cc2c1)c1ccccc1 ZINC000500288797 332604362 /nfs/dbraw/zinc/60/43/62/332604362.db2.gz JLZVYBJMSCTGEO-QGZVFWFLSA-N 0 0 264.372 5.040 20 0 CKADRN CCCCCC(=O)N1CCC[C@H]1c1cccc2ccccc21 ZINC000500584927 332613758 /nfs/dbraw/zinc/61/37/58/332613758.db2.gz GYGFWELUCPWNNH-IBGZPJMESA-N 0 0 295.426 5.084 20 0 CKADRN Cc1cc(Sc2ccccc2)ccc1NC(=O)CC(C)C ZINC000500758353 332617948 /nfs/dbraw/zinc/61/79/48/332617948.db2.gz KIEYXEXXNDIAFA-UHFFFAOYSA-N 0 0 299.439 5.131 20 0 CKADRN CCCCC(=O)Nc1ccc(Sc2ccccc2)cc1C ZINC000500758979 332617936 /nfs/dbraw/zinc/61/79/36/332617936.db2.gz MWAKAMVFJKLVRV-UHFFFAOYSA-N 0 0 299.439 5.275 20 0 CKADRN Clc1cccc(-c2nc(CSC3CCCC3)co2)c1 ZINC000501520380 332634718 /nfs/dbraw/zinc/63/47/18/332634718.db2.gz FLNUMXLICODPMI-UHFFFAOYSA-N 0 0 293.819 5.171 20 0 CKADRN CCCC[C@@H](C)C(=O)Nc1ccccc1-c1cccs1 ZINC000501558075 332635688 /nfs/dbraw/zinc/63/56/88/332635688.db2.gz BFXFGYNLQHAESJ-CYBMUJFWSA-N 0 0 287.428 5.180 20 0 CKADRN CCCC[C@H](C)C(=O)Nc1ccccc1-c1cccs1 ZINC000501558076 332635654 /nfs/dbraw/zinc/63/56/54/332635654.db2.gz BFXFGYNLQHAESJ-ZDUSSCGKSA-N 0 0 287.428 5.180 20 0 CKADRN CCc1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1C ZINC000502385726 332655835 /nfs/dbraw/zinc/65/58/35/332655835.db2.gz DWQSDDUFSXFRQC-OAHLLOKOSA-N 0 0 297.446 5.042 20 0 CKADRN CC(C)c1cccc(N[C@H](C)c2cnn(C3CCCC3)c2)c1 ZINC000502388451 332655945 /nfs/dbraw/zinc/65/59/45/332655945.db2.gz DSQOIPYSRAJZCY-OAHLLOKOSA-N 0 0 297.446 5.295 20 0 CKADRN Cc1cc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)oc1C ZINC000502405184 332656906 /nfs/dbraw/zinc/65/69/06/332656906.db2.gz ISKFKQWEHZGDMX-NSHDSACASA-N 0 0 296.370 5.088 20 0 CKADRN Cc1cc([C@@H](C)Nc2ccc3nc(C4CC4)oc3c2)oc1C ZINC000502409372 332657509 /nfs/dbraw/zinc/65/75/09/332657509.db2.gz RFCQWZITLAFINF-LLVKDONJSA-N 0 0 296.370 5.088 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000502425976 332658734 /nfs/dbraw/zinc/65/87/34/332658734.db2.gz FGBLGRIDLTVNSA-HNNXBMFYSA-N 0 0 297.446 5.295 20 0 CKADRN Cc1cc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)oc1C ZINC000502426350 332658634 /nfs/dbraw/zinc/65/86/34/332658634.db2.gz FVJCXDWAQPWLOF-CHWSQXEVSA-N 0 0 283.371 5.054 20 0 CKADRN Cc1cc([C@H](C)N[C@H](C)c2cc3ccccc3o2)oc1C ZINC000502426357 332658620 /nfs/dbraw/zinc/65/86/20/332658620.db2.gz FVJCXDWAQPWLOF-QWHCGFSZSA-N 0 0 283.371 5.054 20 0 CKADRN Cc1cc([C@H](C)N[C@H](C)c2c(F)cccc2Cl)oc1C ZINC000502459105 332661191 /nfs/dbraw/zinc/66/11/91/332661191.db2.gz ZNBIESMLKYDQOF-WDEREUQCSA-N 0 0 295.785 5.101 20 0 CKADRN Cc1cc([C@@H](C)Nc2cccc(-c3nccs3)c2)oc1C ZINC000502464278 332661655 /nfs/dbraw/zinc/66/16/55/332661655.db2.gz SHHOKDANYVBDLQ-GFCCVEGCSA-N 0 0 298.411 5.193 20 0 CKADRN Cc1cc([C@H](C)Nc2cccc(-c3nccs3)c2)oc1C ZINC000502464281 332661861 /nfs/dbraw/zinc/66/18/61/332661861.db2.gz SHHOKDANYVBDLQ-LBPRGKRZSA-N 0 0 298.411 5.193 20 0 CKADRN O=C1CCCC[C@H]1SC(c1ccccc1)c1ccccc1 ZINC000502535588 332665066 /nfs/dbraw/zinc/66/50/66/332665066.db2.gz KBVPHESYAPPQSW-GOSISDBHSA-N 0 0 296.435 5.021 20 0 CKADRN CC(C)(C)C(=O)CSC(c1ccccc1)c1ccccc1 ZINC000502535897 332664792 /nfs/dbraw/zinc/66/47/92/332664792.db2.gz OFTZZLGAHNSUDJ-UHFFFAOYSA-N 0 0 298.451 5.124 20 0 CKADRN CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1-c1cccs1 ZINC000502553081 332665514 /nfs/dbraw/zinc/66/55/14/332665514.db2.gz GIYDHIPOAPPNRV-QWHCGFSZSA-N 0 0 287.428 5.036 20 0 CKADRN Cc1cccc(NC(=O)Nc2cccc(C(C)C)c2)c1C ZINC000502667678 332668073 /nfs/dbraw/zinc/66/80/73/332668073.db2.gz JYHJOXQVPGNYPH-UHFFFAOYSA-N 0 0 282.387 5.071 20 0 CKADRN CCc1cccc(NC(=O)Nc2c(CC)cccc2CC)c1 ZINC000502698666 332669845 /nfs/dbraw/zinc/66/98/45/332669845.db2.gz KCOGDPWXYAHHEP-UHFFFAOYSA-N 0 0 296.414 5.018 20 0 CKADRN C[C@H](Sc1cccc2cccnc21)c1ccc(F)cc1 ZINC000502827566 332673566 /nfs/dbraw/zinc/67/35/66/332673566.db2.gz NMUVBQLLEWMFTL-LBPRGKRZSA-N 0 0 283.371 5.227 20 0 CKADRN C[C@@H](Sc1cccc2cccnc21)c1cccc(F)c1 ZINC000502828312 332673631 /nfs/dbraw/zinc/67/36/31/332673631.db2.gz QBWFUGGIMMWBMX-GFCCVEGCSA-N 0 0 283.371 5.227 20 0 CKADRN O=C(Nc1cccc2ccsc21)c1sccc1C1CC1 ZINC000502922821 332676457 /nfs/dbraw/zinc/67/64/57/332676457.db2.gz BRUGVSXJXLHJIS-UHFFFAOYSA-N 0 0 299.420 5.093 20 0 CKADRN CCC(CC)CN(CC)C(=O)Nc1ccccc1C(C)C ZINC000503308854 332686128 /nfs/dbraw/zinc/68/61/28/332686128.db2.gz GMMFAGTUEFVHKJ-UHFFFAOYSA-N 0 0 290.451 5.100 20 0 CKADRN CCC(CC)NC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000503513411 332691100 /nfs/dbraw/zinc/69/11/00/332691100.db2.gz MJMFQGTZQYQQNC-UHFFFAOYSA-N 0 0 290.451 5.244 20 0 CKADRN Fc1cccc(-c2nc(CSC3CCCCC3)co2)c1 ZINC000503887553 332697857 /nfs/dbraw/zinc/69/78/57/332697857.db2.gz ATIUDFDPTZFDTN-UHFFFAOYSA-N 0 0 291.391 5.047 20 0 CKADRN CC[C@@H](C)c1ccc(-c2csc([C@@H](C)COC)n2)cc1 ZINC000503949572 332700762 /nfs/dbraw/zinc/70/07/62/332700762.db2.gz GEFQIMIVHLCTCZ-OLZOCXBDSA-N 0 0 289.444 5.074 20 0 CKADRN CC[C@H](C)c1ccc(-c2csc([C@H](C)COC)n2)cc1 ZINC000503949574 332700690 /nfs/dbraw/zinc/70/06/90/332700690.db2.gz GEFQIMIVHLCTCZ-QWHCGFSZSA-N 0 0 289.444 5.074 20 0 CKADRN CCCc1ccccc1NC(=O)C[C@H](CC)c1ccccc1 ZINC000504323992 332708242 /nfs/dbraw/zinc/70/82/42/332708242.db2.gz GJTDFYITMOCGRH-INIZCTEOSA-N 0 0 295.426 5.162 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000504351097 332708777 /nfs/dbraw/zinc/70/87/77/332708777.db2.gz WHUIULPBENAKKY-ZBFHGGJFSA-N 0 0 287.447 5.273 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)CCCC(C)(C)C ZINC000504416117 332711277 /nfs/dbraw/zinc/71/12/77/332711277.db2.gz MRWBFYWSOIXPFZ-UHFFFAOYSA-N 0 0 275.436 5.273 20 0 CKADRN FC(F)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000504424467 332711489 /nfs/dbraw/zinc/71/14/89/332711489.db2.gz PCHAZTIIMORBOY-UHFFFAOYSA-N 0 0 280.126 5.055 20 0 CKADRN CC(C)(C)CCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000504451503 332712164 /nfs/dbraw/zinc/71/21/64/332712164.db2.gz CKUJVJFQHMWUGM-UHFFFAOYSA-N 0 0 288.218 5.148 20 0 CKADRN CC[C@@H](CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504453037 332712428 /nfs/dbraw/zinc/71/24/28/332712428.db2.gz JVQDJWRXPAJHPI-KRWDZBQOSA-N 0 0 295.426 5.134 20 0 CKADRN CC[C@H](CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 ZINC000504453039 332712421 /nfs/dbraw/zinc/71/24/21/332712421.db2.gz JVQDJWRXPAJHPI-QGZVFWFLSA-N 0 0 295.426 5.134 20 0 CKADRN CCc1cccc(C)c1NC(=O)C[C@H](CC)c1ccccc1 ZINC000504467103 332712420 /nfs/dbraw/zinc/71/24/20/332712420.db2.gz JAJYYYKSXZMPGZ-KRWDZBQOSA-N 0 0 295.426 5.080 20 0 CKADRN CCc1cccc(C)c1NC(=O)C[C@@H](CC)c1ccccc1 ZINC000504467104 332712349 /nfs/dbraw/zinc/71/23/49/332712349.db2.gz JAJYYYKSXZMPGZ-QGZVFWFLSA-N 0 0 295.426 5.080 20 0 CKADRN CC(C)(C)CCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000504479637 332712720 /nfs/dbraw/zinc/71/27/20/332712720.db2.gz BOJOAJJZRAUCGH-UHFFFAOYSA-N 0 0 295.426 5.509 20 0 CKADRN CC(C)c1ccc(C(=O)N(c2ccc(F)cc2)C(C)C)cc1 ZINC000505070919 332730008 /nfs/dbraw/zinc/73/00/08/332730008.db2.gz PLCWZXAOSYTENE-UHFFFAOYSA-N 0 0 299.389 5.004 20 0 CKADRN Cc1oc(C(C)C)cc1C(=O)Nc1ccccc1C(C)C ZINC000505097970 332731016 /nfs/dbraw/zinc/73/10/16/332731016.db2.gz HOHSEWPWVNNLRE-UHFFFAOYSA-N 0 0 285.387 5.087 20 0 CKADRN Cc1ccsc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000505854704 332755225 /nfs/dbraw/zinc/75/52/25/332755225.db2.gz JEZRBSQCIGHNTC-UHFFFAOYSA-N 0 0 299.420 5.037 20 0 CKADRN Cc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)s1 ZINC000505854959 332755125 /nfs/dbraw/zinc/75/51/25/332755125.db2.gz MNBZOTPKSLXXLP-UHFFFAOYSA-N 0 0 299.420 5.037 20 0 CKADRN C[C@H](CC(=O)Nc1cccc(C(F)F)c1)C1CCCCC1 ZINC000505983806 332758762 /nfs/dbraw/zinc/75/87/62/332758762.db2.gz DIHMHHCKCSJKMF-GFCCVEGCSA-N 0 0 295.373 5.169 20 0 CKADRN CC(C)c1ccsc1C(=O)Nc1cccc(C(F)F)c1 ZINC000506030271 332760130 /nfs/dbraw/zinc/76/01/30/332760130.db2.gz HCGDTVMMOPHJBQ-UHFFFAOYSA-N 0 0 295.354 5.061 20 0 CKADRN Fc1ccc(Cl)cc1SCc1nc(C2CC2)cs1 ZINC000506393530 332772227 /nfs/dbraw/zinc/77/22/27/332772227.db2.gz FEXDWXLMGWQKED-UHFFFAOYSA-N 0 0 299.823 5.105 20 0 CKADRN C[C@@H](Nc1ccccn1)c1ccccc1Oc1ccccc1 ZINC000506771259 332779451 /nfs/dbraw/zinc/77/94/51/332779451.db2.gz XFEVSRHYDCWKLS-OAHLLOKOSA-N 0 0 290.366 5.047 20 0 CKADRN COc1cccc(CNc2cccc(-c3cccs3)c2)c1 ZINC000506892439 332781936 /nfs/dbraw/zinc/78/19/36/332781936.db2.gz VBKNVWZELKDCBT-UHFFFAOYSA-N 0 0 295.407 5.036 20 0 CKADRN c1nc2cc(NCc3cccc4ccccc43)ccc2s1 ZINC000506924107 332782087 /nfs/dbraw/zinc/78/20/87/332782087.db2.gz VKNHKYFNXDWSOF-UHFFFAOYSA-N 0 0 290.391 5.062 20 0 CKADRN O=C(Nc1cccc(C(F)F)c1)c1cccc2ccccc21 ZINC000507120394 332788576 /nfs/dbraw/zinc/78/85/76/332788576.db2.gz SAJFBBAOQCCGOV-UHFFFAOYSA-N 0 0 297.304 5.030 20 0 CKADRN Clc1ccc(NCc2cccc(-c3ccncc3)c2)cc1 ZINC000507440615 332805629 /nfs/dbraw/zinc/80/56/29/332805629.db2.gz JSTUXJXNGYUVOL-UHFFFAOYSA-N 0 0 294.785 5.014 20 0 CKADRN CCc1cccnc1[C@@H](C)Nc1cccc2ccsc21 ZINC000507448661 332806311 /nfs/dbraw/zinc/80/63/11/332806311.db2.gz LFRBQJALFNUMOI-GFCCVEGCSA-N 0 0 282.412 5.032 20 0 CKADRN CCc1cccnc1[C@H](C)Nc1cccc2ccsc21 ZINC000507448662 332806225 /nfs/dbraw/zinc/80/62/25/332806225.db2.gz LFRBQJALFNUMOI-LBPRGKRZSA-N 0 0 282.412 5.032 20 0 CKADRN COc1ccc([C@@H](C)Nc2ccc(C)cc2C)cc1Cl ZINC000507458265 332806663 /nfs/dbraw/zinc/80/66/63/332806663.db2.gz FKTKVWUFLPDGQJ-CYBMUJFWSA-N 0 0 289.806 5.139 20 0 CKADRN COc1ccc([C@H](C)Nc2cc(C)ccc2C)cc1Cl ZINC000507460463 332806700 /nfs/dbraw/zinc/80/67/00/332806700.db2.gz NDVLKKZYWYLVDC-ZDUSSCGKSA-N 0 0 289.806 5.139 20 0 CKADRN CCc1cccnc1[C@H](C)Nc1csc2ccccc12 ZINC000507477939 332808449 /nfs/dbraw/zinc/80/84/49/332808449.db2.gz LVWMRITXGVUINZ-LBPRGKRZSA-N 0 0 282.412 5.032 20 0 CKADRN C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1nc2ccccc2o1 ZINC000507486593 332809134 /nfs/dbraw/zinc/80/91/34/332809134.db2.gz OZMQAPBLVQSVGX-LLVKDONJSA-N 0 0 296.345 5.017 20 0 CKADRN Cc1nc(CS[C@H](C)c2ccc(F)c(F)c2)c(C)s1 ZINC000507589700 332815622 /nfs/dbraw/zinc/81/56/22/332815622.db2.gz ZPBRXXUAPGWZBP-MRVPVSSYSA-N 0 0 299.411 5.033 20 0 CKADRN Cc1nc(CS[C@@H](C)c2ccc(F)c(F)c2)c(C)s1 ZINC000507589704 332815648 /nfs/dbraw/zinc/81/56/48/332815648.db2.gz ZPBRXXUAPGWZBP-QMMMGPOBSA-N 0 0 299.411 5.033 20 0 CKADRN CCCc1nc(CSCCCCC(F)(F)F)cs1 ZINC000507616298 332816811 /nfs/dbraw/zinc/81/68/11/332816811.db2.gz JTEISTZHSDNHKY-UHFFFAOYSA-N 0 0 297.411 5.061 20 0 CKADRN FC(F)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000507695765 332819351 /nfs/dbraw/zinc/81/93/51/332819351.db2.gz XHARNUMANPUYCR-UHFFFAOYSA-N 0 0 280.126 5.055 20 0 CKADRN CC[C@@H](SCc1ncc(C(C)(C)C)o1)c1ccccc1 ZINC000507731265 332821281 /nfs/dbraw/zinc/82/12/81/332821281.db2.gz LMSVCAICYYKYQT-CQSZACIVSA-N 0 0 289.444 5.357 20 0 CKADRN CC[C@H](SCc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000507732285 332821152 /nfs/dbraw/zinc/82/11/52/332821152.db2.gz PDQGHKMBPYCQHM-SFHVURJKSA-N 0 0 299.439 5.030 20 0 CKADRN CCc1nc(CS[C@@H](CC)c2ccccc2)cs1 ZINC000507739675 332821413 /nfs/dbraw/zinc/82/14/13/332821413.db2.gz FHGSPDBXLFQQCL-AWEZNQCLSA-N 0 0 277.458 5.090 20 0 CKADRN CC[C@@H](SCc1cc(-c2ccco2)on1)c1ccccc1 ZINC000507762233 332822135 /nfs/dbraw/zinc/82/21/35/332822135.db2.gz QQZQVRSYGFPTEF-QGZVFWFLSA-N 0 0 299.395 5.319 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)C1CC(C)(C)C1 ZINC000507768039 332822407 /nfs/dbraw/zinc/82/24/07/332822407.db2.gz SJUQHYSKJYNDJQ-UHFFFAOYSA-N 0 0 287.447 5.308 20 0 CKADRN Cc1noc(C)c1CSCc1ccc(C(C)(C)C)cc1 ZINC000507832032 332826850 /nfs/dbraw/zinc/82/68/50/332826850.db2.gz WNMYTWYQAZRYNJ-UHFFFAOYSA-N 0 0 289.444 5.022 20 0 CKADRN CCCCCN(C(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000508105766 332833726 /nfs/dbraw/zinc/83/37/26/332833726.db2.gz UXECNOSIZUOFKB-UHFFFAOYSA-N 0 0 296.842 5.081 20 0 CKADRN CCCCCN(C(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000508106054 332833636 /nfs/dbraw/zinc/83/36/36/332833636.db2.gz OYCTWCWVXKSMMI-UHFFFAOYSA-N 0 0 296.842 5.081 20 0 CKADRN Cc1occc1S[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000508133467 332834042 /nfs/dbraw/zinc/83/40/42/332834042.db2.gz GWEPHKFZSLCWTF-GFCCVEGCSA-N 0 0 285.368 5.096 20 0 CKADRN Cc1occc1S[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000508133468 332834018 /nfs/dbraw/zinc/83/40/18/332834018.db2.gz GWEPHKFZSLCWTF-LBPRGKRZSA-N 0 0 285.368 5.096 20 0 CKADRN CCCCCN(C(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000508147597 332834258 /nfs/dbraw/zinc/83/42/58/332834258.db2.gz LEPOTUZAASDYCF-UHFFFAOYSA-N 0 0 296.842 5.081 20 0 CKADRN Cc1occc1SCc1csc(-c2cccs2)n1 ZINC000508181110 332834691 /nfs/dbraw/zinc/83/46/91/332834691.db2.gz WDKGTHRNOHTKEO-UHFFFAOYSA-N 0 0 293.438 5.065 20 0 CKADRN Cc1cc(C)c(NC(=O)C[C@H](C)C2CCCCC2)c(C)c1 ZINC000508867756 332851820 /nfs/dbraw/zinc/85/18/20/332851820.db2.gz DILISBWGJQYWRS-AWEZNQCLSA-N 0 0 287.447 5.157 20 0 CKADRN Cc1cc(C)c(NC(=O)C[C@@H](C)C2CCCCC2)c(C)c1 ZINC000508867757 332851823 /nfs/dbraw/zinc/85/18/23/332851823.db2.gz DILISBWGJQYWRS-CQSZACIVSA-N 0 0 287.447 5.157 20 0 CKADRN CCc1cccc(C)c1NC(=O)C[C@H](C)C1CCCCC1 ZINC000508897245 332852312 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283.371 5.166 20 0 CKADRN CC1(C)CC[C@@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000513715229 333034900 /nfs/dbraw/zinc/03/49/00/333034900.db2.gz NESRIHNMYDHPRA-CYBMUJFWSA-N 0 0 299.439 5.180 20 0 CKADRN CC1(C)CC[C@H](C(=O)Nc2ccccc2-c2cccs2)C1 ZINC000513715230 333034928 /nfs/dbraw/zinc/03/49/28/333034928.db2.gz NESRIHNMYDHPRA-ZDUSSCGKSA-N 0 0 299.439 5.180 20 0 CKADRN Clc1cccc2nc(-c3cccc4cccnc43)sc21 ZINC000513857525 333043684 /nfs/dbraw/zinc/04/36/84/333043684.db2.gz MXMRDUKARBRUPG-UHFFFAOYSA-N 0 0 296.782 5.165 20 0 CKADRN c1ccc(-c2ccc(-c3nc4cnccc4s3)cc2)cc1 ZINC000513859244 333043807 /nfs/dbraw/zinc/04/38/07/333043807.db2.gz JIDOFODKVSPBGY-UHFFFAOYSA-N 0 0 288.375 5.025 20 0 CKADRN CCCCN(CCCC)C(=O)Nc1cccc(C(F)F)c1 ZINC000513912790 333050441 /nfs/dbraw/zinc/05/04/41/333050441.db2.gz ICCHQOXGCWWKAE-UHFFFAOYSA-N 0 0 298.377 5.058 20 0 CKADRN CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000514067790 333063561 /nfs/dbraw/zinc/06/35/61/333063561.db2.gz VDJKMZQAUFJABK-KBPBESRZSA-N 0 0 293.476 5.060 20 0 CKADRN CCCCS[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000514067791 333063577 /nfs/dbraw/zinc/06/35/77/333063577.db2.gz VDJKMZQAUFJABK-KGLIPLIRSA-N 0 0 293.476 5.060 20 0 CKADRN CCCCS[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000514067792 333063566 /nfs/dbraw/zinc/06/35/66/333063566.db2.gz VDJKMZQAUFJABK-UONOGXRCSA-N 0 0 293.476 5.060 20 0 CKADRN CCCCS[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000514067793 333063493 /nfs/dbraw/zinc/06/34/93/333063493.db2.gz VDJKMZQAUFJABK-ZIAGYGMSSA-N 0 0 293.476 5.060 20 0 CKADRN c1ccc(C(SCc2ccncc2)c2ccccc2)cc1 ZINC000514563253 328834146 /nfs/dbraw/zinc/83/41/46/328834146.db2.gz GUBOMALMNZKSQX-UHFFFAOYSA-N 0 0 291.419 5.104 20 0 CKADRN CC(C)CSc1nnc(-c2ccccc2)c2ccccc21 ZINC000514591240 266008861 /nfs/dbraw/zinc/00/88/61/266008861.db2.gz AKUKEORSYKRATH-UHFFFAOYSA-N 0 0 294.423 5.045 20 0 CKADRN Cc1ccc(-c2nc(CSCc3ccccc3)co2)cc1 ZINC000514705204 330148720 /nfs/dbraw/zinc/14/87/20/330148720.db2.gz BSNTXKOQMVCKOA-UHFFFAOYSA-N 0 0 295.407 5.083 20 0 CKADRN CCCCN(CCCC)C(=O)Nc1ccc(C)cc1Cl ZINC000515376965 330475918 /nfs/dbraw/zinc/47/59/18/330475918.db2.gz WFQQXFIXVQPAHY-UHFFFAOYSA-N 0 0 296.842 5.083 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)CCC(C)C ZINC000515378432 330475965 /nfs/dbraw/zinc/47/59/65/330475965.db2.gz QPCMLQJLOQXSPG-OAHLLOKOSA-N 0 0 290.451 5.065 20 0 CKADRN CC(C)c1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2)c1 ZINC000515382193 330476080 /nfs/dbraw/zinc/47/60/80/330476080.db2.gz DPUNZSLGYBJDEG-HNNXBMFYSA-N 0 0 296.414 5.035 20 0 CKADRN CC(C)c1cccc(NC(=O)N(C)[C@H](C)c2ccccc2)c1 ZINC000515382194 330476104 /nfs/dbraw/zinc/47/61/04/330476104.db2.gz DPUNZSLGYBJDEG-OAHLLOKOSA-N 0 0 296.414 5.035 20 0 CKADRN Cc1c(C)c(-c2ccccc2OC(F)F)nc2ccccc12 ZINC000515570982 330479930 /nfs/dbraw/zinc/47/99/30/330479930.db2.gz VIDBQAGYEYQXGO-UHFFFAOYSA-N 0 0 299.320 5.120 20 0 CKADRN CCCc1nc(CS[C@H](C)c2ccccc2)cs1 ZINC000515721886 330482036 /nfs/dbraw/zinc/48/20/36/330482036.db2.gz XCRJTKJXPCXBCZ-GFCCVEGCSA-N 0 0 277.458 5.090 20 0 CKADRN CCCc1nc(CS[C@@H](C)c2ccccc2)cs1 ZINC000515721887 330481980 /nfs/dbraw/zinc/48/19/80/330481980.db2.gz XCRJTKJXPCXBCZ-LBPRGKRZSA-N 0 0 277.458 5.090 20 0 CKADRN CCC(CC)CN(CC)C(=O)Nc1cccc2ccccc21 ZINC000515782870 330483286 /nfs/dbraw/zinc/48/32/86/330483286.db2.gz YLPLLGFAXSHMIW-UHFFFAOYSA-N 0 0 298.430 5.130 20 0 CKADRN CC(=O)c1cccc(N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000515834834 541318278 /nfs/dbraw/zinc/31/82/78/541318278.db2.gz DHEDJMPLDMWORA-CQSZACIVSA-N 0 0 289.378 5.216 20 0 CKADRN Cc1nc(S[C@@H](C)c2ccc3ccccc3c2)oc1C ZINC000515852529 330483488 /nfs/dbraw/zinc/48/34/88/330483488.db2.gz CWMTWMGHHFQCEC-ZDUSSCGKSA-N 0 0 283.396 5.298 20 0 CKADRN C[C@H](SCCc1ccccn1)c1cccc2ccccc21 ZINC000516380986 330492140 /nfs/dbraw/zinc/49/21/40/330492140.db2.gz SRRWAQARRJDPFF-HNNXBMFYSA-N 0 0 293.435 5.272 20 0 CKADRN C[C@@H](SCCc1ccccn1)c1cccc2ccccc21 ZINC000516380987 330492058 /nfs/dbraw/zinc/49/20/58/330492058.db2.gz SRRWAQARRJDPFF-OAHLLOKOSA-N 0 0 293.435 5.272 20 0 CKADRN CCC[C@@H](C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C ZINC000516509789 330493983 /nfs/dbraw/zinc/49/39/83/330493983.db2.gz BVDULICHJXIHMC-GFCCVEGCSA-N 0 0 299.817 5.047 20 0 CKADRN CCC[C@H](C)CC(=O)N(c1ccc(F)cc1Cl)C(C)C ZINC000516509790 330493964 /nfs/dbraw/zinc/49/39/64/330493964.db2.gz BVDULICHJXIHMC-LBPRGKRZSA-N 0 0 299.817 5.047 20 0 CKADRN CCCCCN(C(=O)Nc1cccc2ccccc21)C(C)C ZINC000516593765 332696170 /nfs/dbraw/zinc/69/61/70/332696170.db2.gz WIKOCXIAUHRXMZ-UHFFFAOYSA-N 0 0 298.430 5.272 20 0 CKADRN C[C@@H](Sc1ccccn1)c1cccc2ccccc21 ZINC000516704431 333081041 /nfs/dbraw/zinc/08/10/41/333081041.db2.gz BLCKBMRWQQCYIQ-CYBMUJFWSA-N 0 0 265.381 5.088 20 0 CKADRN CCCc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000516719626 333081435 /nfs/dbraw/zinc/08/14/35/333081435.db2.gz CMXHUGCTOHAGEN-UHFFFAOYSA-N 0 0 295.426 5.323 20 0 CKADRN Cc1cc(CSc2cccc3cccnc32)c(C)s1 ZINC000516834177 333083701 /nfs/dbraw/zinc/08/37/01/333083701.db2.gz DIWNUMPDZIZNBJ-UHFFFAOYSA-N 0 0 285.437 5.205 20 0 CKADRN Cc1cc(CSCc2ncc(C(C)(C)C)o2)c(C)s1 ZINC000516836540 333083662 /nfs/dbraw/zinc/08/36/62/333083662.db2.gz ZAQBPCWEQUNEAV-UHFFFAOYSA-N 0 0 295.473 5.084 20 0 CKADRN CC(=O)c1cccc(N[C@@H](C)c2cccc3ccccc32)c1 ZINC000516836878 333083779 /nfs/dbraw/zinc/08/37/79/333083779.db2.gz CLMZIFVRQZYFJW-AWEZNQCLSA-N 0 0 289.378 5.216 20 0 CKADRN CC(=O)c1cccc(N[C@H](C)c2cccc3ccccc32)c1 ZINC000516836880 333083803 /nfs/dbraw/zinc/08/38/03/333083803.db2.gz CLMZIFVRQZYFJW-CQSZACIVSA-N 0 0 289.378 5.216 20 0 CKADRN COc1c(Cl)cccc1N[C@@H](C)c1ccccc1Cl ZINC000516837867 333083808 /nfs/dbraw/zinc/08/38/08/333083808.db2.gz ASZGDHDKDRHZCM-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1c(Cl)cccc1N[C@H](C)c1ccccc1Cl ZINC000516837868 333083806 /nfs/dbraw/zinc/08/38/06/333083806.db2.gz ASZGDHDKDRHZCM-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN C/C=C/c1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000516885661 333085330 /nfs/dbraw/zinc/08/53/30/333085330.db2.gz PMSBOMDZDRWGSI-KPUAHBEZSA-N 0 0 278.399 5.068 20 0 CKADRN C/C=C\c1ccc(N[C@H](c2cccnc2)C2CCC2)cc1 ZINC000516885662 333085328 /nfs/dbraw/zinc/08/53/28/333085328.db2.gz PMSBOMDZDRWGSI-LVXZVAJSSA-N 0 0 278.399 5.068 20 0 CKADRN C/C=C\c1ccc(N[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000516885663 333085269 /nfs/dbraw/zinc/08/52/69/333085269.db2.gz PMSBOMDZDRWGSI-QDVBSOPMSA-N 0 0 278.399 5.068 20 0 CKADRN C/C=C/c1ccc(N[C@H](c2cccnc2)C2CCC2)cc1 ZINC000516885664 260224478 /nfs/dbraw/zinc/22/44/78/260224478.db2.gz PMSBOMDZDRWGSI-XUYKHGSPSA-N 0 0 278.399 5.068 20 0 CKADRN Cc1ccc2oc(C(=O)Nc3ccccc3C(C)C)cc2c1 ZINC000517169864 333093695 /nfs/dbraw/zinc/09/36/95/333093695.db2.gz FUZJTDSSJWCFGD-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN CCCCN(C(=O)c1cc2sccc2s1)[C@H](C)CC ZINC000517383555 333098653 /nfs/dbraw/zinc/09/86/53/333098653.db2.gz QAIDTLJPPKIMBI-LLVKDONJSA-N 0 0 295.473 5.004 20 0 CKADRN CCCCN(C(=O)c1cc2sccc2s1)[C@@H](C)CC ZINC000517383561 333098356 /nfs/dbraw/zinc/09/83/56/333098356.db2.gz QAIDTLJPPKIMBI-NSHDSACASA-N 0 0 295.473 5.004 20 0 CKADRN Cc1cccc(SCc2csc(-c3ccoc3)n2)c1 ZINC000517448894 333099682 /nfs/dbraw/zinc/09/96/82/333099682.db2.gz MPQKMHMQXYGRPK-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN Cc1ccccc1SCc1csc(-c2ccoc2)n1 ZINC000517449484 333099634 /nfs/dbraw/zinc/09/96/34/333099634.db2.gz UHRWYNZUISPORD-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN C(=C/c1ccc2ccccc2n1)\c1coc(-c2ccccc2)n1 ZINC000517622212 333104076 /nfs/dbraw/zinc/10/40/76/333104076.db2.gz CDPLHZVIYUJVLG-OUKQBFOZSA-N 0 0 298.345 5.060 20 0 CKADRN C(=C\c1ccc2ccccc2n1)\c1coc(-c2ccccc2)n1 ZINC000517622217 333104056 /nfs/dbraw/zinc/10/40/56/333104056.db2.gz CDPLHZVIYUJVLG-SEYXRHQNSA-N 0 0 298.345 5.060 20 0 CKADRN Cc1oc(-c2ccccc2)nc1CSc1cccs1 ZINC000517622395 333104083 /nfs/dbraw/zinc/10/40/83/333104083.db2.gz HFHXHTFDNUMAKA-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN Cc1oc(-c2cccs2)nc1CSc1cccs1 ZINC000517622853 333104154 /nfs/dbraw/zinc/10/41/54/333104154.db2.gz ROLUPMYTQUQZRX-UHFFFAOYSA-N 0 0 293.438 5.065 20 0 CKADRN Cc1ccc(-c2nc(CSc3cccs3)cs2)o1 ZINC000517625422 333104418 /nfs/dbraw/zinc/10/44/18/333104418.db2.gz XLOMPRTZOBYXQM-UHFFFAOYSA-N 0 0 293.438 5.065 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC(C)(C)C ZINC000517706448 333106245 /nfs/dbraw/zinc/10/62/45/333106245.db2.gz LHAPFEYMTHEOSO-UHFFFAOYSA-N 0 0 290.451 5.101 20 0 CKADRN c1ccc(-c2ccc(SCc3ccccn3)cc2)cc1 ZINC000517794920 327139587 /nfs/dbraw/zinc/13/95/87/327139587.db2.gz YNCBIWOUFOQUIR-UHFFFAOYSA-N 0 0 277.392 5.041 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000517942411 260322816 /nfs/dbraw/zinc/32/28/16/260322816.db2.gz ISBUUWVDVLIBPB-ZWKOTPCHSA-N 0 0 299.458 5.137 20 0 CKADRN COc1c(Cl)cccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000518013296 327145221 /nfs/dbraw/zinc/14/52/21/327145221.db2.gz HEISDQPXGKGVSD-JTQLQIEISA-N 0 0 296.197 5.175 20 0 CKADRN COc1c(Cl)cccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000518013304 327145145 /nfs/dbraw/zinc/14/51/45/327145145.db2.gz HEISDQPXGKGVSD-SNVBAGLBSA-N 0 0 296.197 5.175 20 0 CKADRN CCCCN(CCCC)C(=O)c1cc2sccc2s1 ZINC000518216781 260357618 /nfs/dbraw/zinc/35/76/18/260357618.db2.gz QUNTZAYJGUHJCL-UHFFFAOYSA-N 0 0 295.473 5.005 20 0 CKADRN CCCCCN(C(=O)c1cc2sccc2s1)C(C)C ZINC000518262804 260365260 /nfs/dbraw/zinc/36/52/60/260365260.db2.gz GNKGDKTVVSCITF-UHFFFAOYSA-N 0 0 295.473 5.004 20 0 CKADRN C[C@@H](Sc1ccnc2ccccc21)c1ccccc1 ZINC000518304601 260372046 /nfs/dbraw/zinc/37/20/46/260372046.db2.gz CIXHMGDRLWPQBE-CYBMUJFWSA-N 0 0 265.381 5.088 20 0 CKADRN C[C@H](Sc1ccnc2ccccc21)c1ccccc1 ZINC000518304602 260372257 /nfs/dbraw/zinc/37/22/57/260372257.db2.gz CIXHMGDRLWPQBE-ZDUSSCGKSA-N 0 0 265.381 5.088 20 0 CKADRN Cc1cc(CS[C@H](C)c2cccc3ccccc32)on1 ZINC000518740460 260522416 /nfs/dbraw/zinc/52/24/16/260522416.db2.gz GKCFAKLMBVSZSV-CYBMUJFWSA-N 0 0 283.396 5.131 20 0 CKADRN Cc1ccccc1SCc1ncc(-c2cccs2)o1 ZINC000518789163 262188312 /nfs/dbraw/zinc/18/83/12/262188312.db2.gz CSRUYQHROGZYPX-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN Cc1ncc(CS[C@H](C)c2cccc(Cl)c2)s1 ZINC000518819323 264003798 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QAVMEVILJMXGKE-IBGZPJMESA-N 0 0 299.458 5.101 20 0 CKADRN O=C(CCC1CCCC1)N1CCCCC[C@@H]1c1ccccc1 ZINC000519115485 328648080 /nfs/dbraw/zinc/64/80/80/328648080.db2.gz QAVMEVILJMXGKE-LJQANCHMSA-N 0 0 299.458 5.101 20 0 CKADRN Cc1cccc(SCc2coc(-c3cccs3)n2)c1 ZINC000519120744 265326325 /nfs/dbraw/zinc/32/63/25/265326325.db2.gz RKQDOMHFBKXPGF-UHFFFAOYSA-N 0 0 287.409 5.004 20 0 CKADRN CCCc1ccc(C(=O)N(c2ccccc2C)C(C)C)cc1 ZINC000519230495 265373818 /nfs/dbraw/zinc/37/38/18/265373818.db2.gz DBPSJZZDMKZIHN-UHFFFAOYSA-N 0 0 295.426 5.003 20 0 CKADRN CCCC[C@@H](CCC)Sc1nnc(-c2ccoc2C)o1 ZINC000519321348 265394714 /nfs/dbraw/zinc/39/47/14/265394714.db2.gz LKITTZKWZUHWEY-GFCCVEGCSA-N 0 0 294.420 5.089 20 0 CKADRN CCCC[C@H](CCC)Sc1nnc(-c2ccoc2C)o1 ZINC000519321349 265394143 /nfs/dbraw/zinc/39/41/43/265394143.db2.gz LKITTZKWZUHWEY-LBPRGKRZSA-N 0 0 294.420 5.089 20 0 CKADRN Cc1ccc(C(=O)Nc2ccccc2CCC(C)C)c(C)c1 ZINC000519330645 265395770 /nfs/dbraw/zinc/39/57/70/265395770.db2.gz GFTVXISRQYBNPR-UHFFFAOYSA-N 0 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Cc1ncc(CS[C@@H](C)c2ccc3ccccc3c2)s1 ZINC000520992799 263050059 /nfs/dbraw/zinc/05/00/59/263050059.db2.gz PNEROQYYYJHZLB-LBPRGKRZSA-N 0 0 299.464 5.599 20 0 CKADRN COc1cc(CSc2ccc(C)cc2)ccc1SC ZINC000520996132 333109620 /nfs/dbraw/zinc/10/96/20/333109620.db2.gz HDVPUWUYUHWNKJ-UHFFFAOYSA-N 0 0 290.453 5.018 20 0 CKADRN COc1cc(CSc2cccc(C)c2)ccc1SC ZINC000520996856 333109637 /nfs/dbraw/zinc/10/96/37/333109637.db2.gz HFFNUKGKVBQSKV-UHFFFAOYSA-N 0 0 290.453 5.018 20 0 CKADRN CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccccc1C ZINC000521192022 333114242 /nfs/dbraw/zinc/11/42/42/333114242.db2.gz SSMZZAYUNIECMX-GOSISDBHSA-N 0 0 296.414 5.000 20 0 CKADRN CC[C@@H](c1ccccc1)N(CC)C(=O)Nc1ccccc1C ZINC000521192023 333114290 /nfs/dbraw/zinc/11/42/90/333114290.db2.gz SSMZZAYUNIECMX-SFHVURJKSA-N 0 0 296.414 5.000 20 0 CKADRN CCC(CC)SCc1csc(-c2ccsc2)n1 ZINC000521340881 260081249 /nfs/dbraw/zinc/08/12/49/260081249.db2.gz DZTVPCCVCXIXIU-UHFFFAOYSA-N 0 0 283.487 5.293 20 0 CKADRN CCC(CC)S[C@@H](C)C(=O)Nc1ccccc1C(C)C 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Cc1cccc(C(C)C)c1NC(=O)C1CCCCCC1 ZINC000523183926 333312258 /nfs/dbraw/zinc/31/22/58/333312258.db2.gz XQAFWVSWJJQJSD-UHFFFAOYSA-N 0 0 273.420 5.027 20 0 CKADRN Cc1ccc(-c2ccncc2)cc1N[C@@H](C)c1ccccc1 ZINC000523206343 333312776 /nfs/dbraw/zinc/31/27/76/333312776.db2.gz ZWDPEYAYRMHNAW-INIZCTEOSA-N 0 0 288.394 5.230 20 0 CKADRN Cc1ccc(-c2ccncc2)cc1N[C@H](C)c1ccccc1 ZINC000523206344 333312672 /nfs/dbraw/zinc/31/26/72/333312672.db2.gz ZWDPEYAYRMHNAW-MRXNPFEDSA-N 0 0 288.394 5.230 20 0 CKADRN c1ccc2oc(CS[C@H]3CCCc4ccccc43)nc2c1 ZINC000523225852 333313142 /nfs/dbraw/zinc/31/31/42/333313142.db2.gz QQCITWDIRXBUIW-KRWDZBQOSA-N 0 0 295.407 5.139 20 0 CKADRN c1ccc2oc(CS[C@@H]3CCCc4ccccc43)nc2c1 ZINC000523225853 333313077 /nfs/dbraw/zinc/31/30/77/333313077.db2.gz QQCITWDIRXBUIW-QGZVFWFLSA-N 0 0 295.407 5.139 20 0 CKADRN CCCCCN(C(=O)Nc1ccccc1C(C)C)C(C)C ZINC000523377913 333324730 /nfs/dbraw/zinc/32/47/30/333324730.db2.gz FLRDDEKJSFPDBC-UHFFFAOYSA-N 0 0 290.451 5.243 20 0 CKADRN CC[C@H](Nc1cccc(SC)c1)c1ccc(F)cc1F ZINC000523388238 333325209 /nfs/dbraw/zinc/32/52/09/333325209.db2.gz BSXXEXWYJXGOGQ-INIZCTEOSA-N 0 0 293.382 5.250 20 0 CKADRN CC[C@@H](Nc1cccc(SC)c1)c1ccc(F)cc1F ZINC000523388239 333325233 /nfs/dbraw/zinc/32/52/33/333325233.db2.gz BSXXEXWYJXGOGQ-MRXNPFEDSA-N 0 0 293.382 5.250 20 0 CKADRN CC[C@H](Nc1ccc2[nH]c(C)cc2c1)c1ccc(F)cc1 ZINC000523389206 333325213 /nfs/dbraw/zinc/32/52/13/333325213.db2.gz ITLZRPLYRDLLNY-KRWDZBQOSA-N 0 0 282.362 5.179 20 0 CKADRN CC[C@@H](Nc1ccc2[nH]c(C)cc2c1)c1ccc(F)cc1 ZINC000523389207 333325250 /nfs/dbraw/zinc/32/52/50/333325250.db2.gz ITLZRPLYRDLLNY-QGZVFWFLSA-N 0 0 282.362 5.179 20 0 CKADRN CC[C@H](SCc1csc(C)n1)c1ccc(F)cc1F ZINC000523391789 333325624 /nfs/dbraw/zinc/32/56/24/333325624.db2.gz JXMXATBGLHMMKB-AWEZNQCLSA-N 0 0 299.411 5.114 20 0 CKADRN CC[C@@H](SCc1csc(C)n1)c1ccc(F)cc1F ZINC000523391790 333325563 /nfs/dbraw/zinc/32/55/63/333325563.db2.gz JXMXATBGLHMMKB-CQSZACIVSA-N 0 0 299.411 5.114 20 0 CKADRN 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ZINC000524218648 333356701 /nfs/dbraw/zinc/35/67/01/333356701.db2.gz AMBFYGHKNBOARP-AWEZNQCLSA-N 0 0 281.808 5.021 20 0 CKADRN CC[C@@H](SCc1cc(C)on1)c1ccc(Cl)cc1 ZINC000524218649 333356588 /nfs/dbraw/zinc/35/65/88/333356588.db2.gz AMBFYGHKNBOARP-CQSZACIVSA-N 0 0 281.808 5.021 20 0 CKADRN C[C@H](SCc1ccc2ccccc2n1)c1ccccc1 ZINC000524242987 333357716 /nfs/dbraw/zinc/35/77/16/333357716.db2.gz RHHKIWQSMQLFEG-AWEZNQCLSA-N 0 0 279.408 5.229 20 0 CKADRN C[C@@H](SCc1ccc2ccccc2n1)c1ccccc1 ZINC000524242988 333357753 /nfs/dbraw/zinc/35/77/53/333357753.db2.gz RHHKIWQSMQLFEG-CQSZACIVSA-N 0 0 279.408 5.229 20 0 CKADRN CC(C)C[C@H](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000524243344 333357697 /nfs/dbraw/zinc/35/76/97/333357697.db2.gz CRUPZTKAFZBSRP-JTQLQIEISA-N 0 0 288.218 5.004 20 0 CKADRN CC(C)C[C@@H](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000524243345 333357657 /nfs/dbraw/zinc/35/76/57/333357657.db2.gz CRUPZTKAFZBSRP-SNVBAGLBSA-N 0 0 288.218 5.004 20 0 CKADRN C[C@@H](S[C@@H](C)c1cccnc1)c1ccc(Cl)cc1 ZINC000524402077 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333363365 /nfs/dbraw/zinc/36/33/65/333363365.db2.gz OFQJYGMXIAMUOU-UHFFFAOYSA-N 0 0 273.420 5.062 20 0 CKADRN CC[C@@H](C)Sc1ccc(NC(=O)CCC2CC2)c(C)c1 ZINC000524503454 333363764 /nfs/dbraw/zinc/36/37/64/333363764.db2.gz QLRVCTQAOSJBME-CYBMUJFWSA-N 0 0 291.460 5.014 20 0 CKADRN CC[C@H](C)Sc1ccc(NC(=O)CCC2CC2)c(C)c1 ZINC000524503455 333363769 /nfs/dbraw/zinc/36/37/69/333363769.db2.gz QLRVCTQAOSJBME-ZDUSSCGKSA-N 0 0 291.460 5.014 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)CC1CCC(C)CC1 ZINC000524537609 333365279 /nfs/dbraw/zinc/36/52/79/333365279.db2.gz XTGZILSRJYUVQC-UHFFFAOYSA-N 0 0 287.447 5.273 20 0 CKADRN FC(F)Oc1ccc2ccccc2c1CNc1ccccc1 ZINC000524678668 333371112 /nfs/dbraw/zinc/37/11/12/333371112.db2.gz RKHFLSFMYOCNMA-UHFFFAOYSA-N 0 0 299.320 5.053 20 0 CKADRN CCCCCN(C(=O)Nc1cccc(C)c1Cl)C(C)C ZINC000524723441 333372964 /nfs/dbraw/zinc/37/29/64/333372964.db2.gz VFIDZHBUROOOBQ-UHFFFAOYSA-N 0 0 296.842 5.081 20 0 CKADRN Cc1cccc(NC(=O)c2cccc3ccccc32)c1Cl ZINC000524793701 333388340 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CC[C@H](C)c1ccc([C@@H](C)N[C@@H](C)c2cscn2)cc1 ZINC000527910876 330290690 /nfs/dbraw/zinc/29/06/90/330290690.db2.gz FJTZVFRPUHOKCJ-MJBXVCDLSA-N 0 0 288.460 5.068 20 0 CKADRN Cc1cocc1C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000527919701 330295522 /nfs/dbraw/zinc/29/55/22/330295522.db2.gz JNEUJFRYJBOXQE-UHFFFAOYSA-N 0 0 285.387 5.087 20 0 CKADRN Cc1cocc1C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000528115876 330308568 /nfs/dbraw/zinc/30/85/68/330308568.db2.gz QHZUJDODMPQVBI-UHFFFAOYSA-N 0 0 285.387 5.087 20 0 CKADRN CCc1cnc(CNc2c(C(C)C)cccc2C(C)C)o1 ZINC000530489487 326817773 /nfs/dbraw/zinc/81/77/73/326817773.db2.gz JACIBGMWRPJSCI-UHFFFAOYSA-N 0 0 286.419 5.096 20 0 CKADRN Cc1nc(CS[C@@H](C)c2ccc(F)c(F)c2)sc1C ZINC000531037655 327225334 /nfs/dbraw/zinc/22/53/34/327225334.db2.gz GGZLCWYGXDKGKP-JTQLQIEISA-N 0 0 299.411 5.033 20 0 CKADRN Cc1nc(CS[C@H](C)c2ccc(F)c(F)c2)sc1C ZINC000531037656 327225314 /nfs/dbraw/zinc/22/53/14/327225314.db2.gz GGZLCWYGXDKGKP-SNVBAGLBSA-N 0 0 299.411 5.033 20 0 CKADRN Cc1cc(C)c(NC(=O)CC/C=C\c2ccccc2)c(C)c1 ZINC000531122768 327406207 /nfs/dbraw/zinc/40/62/07/327406207.db2.gz ONYOCIQJFCUPBE-XFFZJAGNSA-N 0 0 293.410 5.044 20 0 CKADRN Cc1cc(C)c(NC(=O)CC/C=C/c2ccccc2)c(C)c1 ZINC000531122769 327406219 /nfs/dbraw/zinc/40/62/19/327406219.db2.gz ONYOCIQJFCUPBE-YRNVUSSQSA-N 0 0 293.410 5.044 20 0 CKADRN C[C@@H](Nc1cccc(CCC(F)(F)F)c1)c1ccccc1 ZINC000531486450 327942218 /nfs/dbraw/zinc/94/22/18/327942218.db2.gz VPIUNZOTCUBQNS-CYBMUJFWSA-N 0 0 293.332 5.355 20 0 CKADRN C[C@H](Nc1cccc(CCC(F)(F)F)c1)c1ccccc1 ZINC000531486460 327942165 /nfs/dbraw/zinc/94/21/65/327942165.db2.gz VPIUNZOTCUBQNS-ZDUSSCGKSA-N 0 0 293.332 5.355 20 0 CKADRN CC(C)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000531522299 328013709 /nfs/dbraw/zinc/01/37/09/328013709.db2.gz IQRJROAVWACIOG-UHFFFAOYSA-N 0 0 297.185 5.001 20 0 CKADRN Cc1ccccc1[C@H](C)Nc1cccc(COCC2CC2)c1 ZINC000531677183 328023020 /nfs/dbraw/zinc/02/30/20/328023020.db2.gz CNSKEQUURYBXIE-INIZCTEOSA-N 0 0 295.426 5.095 20 0 CKADRN Cc1ccccc1[C@@H](C)Nc1cccc(COCC2CC2)c1 ZINC000531677184 328023115 /nfs/dbraw/zinc/02/31/15/328023115.db2.gz CNSKEQUURYBXIE-MRXNPFEDSA-N 0 0 295.426 5.095 20 0 CKADRN Cc1cccc([C@H]([NH2+][C@H](C)c2ccoc2)C(C)(C)C)c1 ZINC000531721526 328028767 /nfs/dbraw/zinc/02/87/67/328028767.db2.gz JWNMVYYQCLPBTC-PBHICJAKSA-N 0 0 271.404 5.026 20 0 CKADRN Cc1cccc([C@@H]([NH2+][C@H](C)c2ccoc2)C(C)(C)C)c1 ZINC000531721527 328028758 /nfs/dbraw/zinc/02/87/58/328028758.db2.gz JWNMVYYQCLPBTC-RHSMWYFYSA-N 0 0 271.404 5.026 20 0 CKADRN Cc1cccc([C@@H]([NH2+][C@@H](C)c2ccoc2)C(C)(C)C)c1 ZINC000531721528 328028751 /nfs/dbraw/zinc/02/87/51/328028751.db2.gz JWNMVYYQCLPBTC-WMLDXEAASA-N 0 0 271.404 5.026 20 0 CKADRN Cc1cccc([C@H]([NH2+][C@@H](C)c2ccoc2)C(C)(C)C)c1 ZINC000531721529 328028778 /nfs/dbraw/zinc/02/87/78/328028778.db2.gz JWNMVYYQCLPBTC-YOEHRIQHSA-N 0 0 271.404 5.026 20 0 CKADRN CC[C@H](S[C@@H](C)c1cccnc1)c1ccccc1 ZINC000531810945 328039083 /nfs/dbraw/zinc/03/90/83/328039083.db2.gz ASDRBZFCMYUEIH-BBRMVZONSA-N 0 0 257.402 5.027 20 0 CKADRN CC[C@H](S[C@H](C)c1cccnc1)c1ccccc1 ZINC000531810948 328039004 /nfs/dbraw/zinc/03/90/04/328039004.db2.gz ASDRBZFCMYUEIH-CJNGLKHVSA-N 0 0 257.402 5.027 20 0 CKADRN CC[C@@H](S[C@H](C)c1cccnc1)c1ccccc1 ZINC000531810949 328038962 /nfs/dbraw/zinc/03/89/62/328038962.db2.gz ASDRBZFCMYUEIH-CZUORRHYSA-N 0 0 257.402 5.027 20 0 CKADRN CC[C@@H](S[C@@H](C)c1cccnc1)c1ccccc1 ZINC000531810950 328038971 /nfs/dbraw/zinc/03/89/71/328038971.db2.gz ASDRBZFCMYUEIH-XJKSGUPXSA-N 0 0 257.402 5.027 20 0 CKADRN CCc1cnc(CS[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000531857944 328046645 /nfs/dbraw/zinc/04/66/45/328046645.db2.gz GVYFPVYGWOQNAB-SECBINFHSA-N 0 0 299.798 5.024 20 0 CKADRN CCc1cnc(CS[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000531857945 328046641 /nfs/dbraw/zinc/04/66/41/328046641.db2.gz GVYFPVYGWOQNAB-VIFPVBQESA-N 0 0 299.798 5.024 20 0 CKADRN CCCc1nnc(S[C@H](C)c2cccc3ccccc32)o1 ZINC000532016592 328390395 /nfs/dbraw/zinc/39/03/95/328390395.db2.gz 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CKADRN Cc1csc(-c2ccc(N[C@H](C)c3ccc(C)o3)cc2)n1 ZINC000539733360 333687975 /nfs/dbraw/zinc/68/79/75/333687975.db2.gz AUCNYZSJWUEHPI-CYBMUJFWSA-N 0 0 298.411 5.193 20 0 CKADRN CSCc1ccc(N[C@@H]2CCCc3sccc32)cc1 ZINC000539733429 333687627 /nfs/dbraw/zinc/68/76/27/333687627.db2.gz DGAALJBRKMVABI-OAHLLOKOSA-N 0 0 289.469 5.101 20 0 CKADRN CSCc1ccc(N[C@H](C)c2sccc2C)cc1 ZINC000539734230 333688140 /nfs/dbraw/zinc/68/81/40/333688140.db2.gz OOIJRMYYFDXNEW-GFCCVEGCSA-N 0 0 277.458 5.093 20 0 CKADRN CSCc1ccc(N[C@@H](C)c2sccc2C)cc1 ZINC000539734240 333688138 /nfs/dbraw/zinc/68/81/38/333688138.db2.gz OOIJRMYYFDXNEW-LBPRGKRZSA-N 0 0 277.458 5.093 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H](C)c2cc(C)sc2C)c1 ZINC000539734304 333688135 /nfs/dbraw/zinc/68/81/35/333688135.db2.gz JENFMGXPCQSYEQ-CHWSQXEVSA-N 0 0 289.444 5.245 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](C)c2cc(C)sc2C)c1 ZINC000539734306 333688217 /nfs/dbraw/zinc/68/82/17/333688217.db2.gz JENFMGXPCQSYEQ-QWHCGFSZSA-N 0 0 289.444 5.245 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000539735401 333688410 /nfs/dbraw/zinc/68/84/10/333688410.db2.gz YYMDRIFVPNRBSK-BFUOFWGJSA-N 0 0 299.389 5.023 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000539735404 333688441 /nfs/dbraw/zinc/68/84/41/333688441.db2.gz YYMDRIFVPNRBSK-YJYMSZOUSA-N 0 0 299.389 5.023 20 0 CKADRN CC[C@@H](Nc1ccc(CSC)cc1)c1cccs1 ZINC000539735519 333688462 /nfs/dbraw/zinc/68/84/62/333688462.db2.gz GARQDCILRLFZPA-CQSZACIVSA-N 0 0 277.458 5.174 20 0 CKADRN CSCc1cccc(N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000539735546 333688418 /nfs/dbraw/zinc/68/84/18/333688418.db2.gz GUJNCOQNYKBVQK-LLVKDONJSA-N 0 0 293.382 5.001 20 0 CKADRN CSCc1cccc(N[C@H](C)c2cc(F)cc(F)c2)c1 ZINC000539735933 333688425 /nfs/dbraw/zinc/68/84/25/333688425.db2.gz MNZZSRMJOXWOKI-LLVKDONJSA-N 0 0 293.382 5.001 20 0 CKADRN CSCc1cccc(N[C@@H](C)c2cc(F)cc(F)c2)c1 ZINC000539735934 333688484 /nfs/dbraw/zinc/68/84/84/333688484.db2.gz MNZZSRMJOXWOKI-NSHDSACASA-N 0 0 293.382 5.001 20 0 CKADRN 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C[C@H](Nc1cccc(-c2cccs2)c1)c1cscn1 ZINC000539739900 333687894 /nfs/dbraw/zinc/68/78/94/333687894.db2.gz CXXPYLXVVNWEHB-NSHDSACASA-N 0 0 286.425 5.045 20 0 CKADRN CC[C@H](Nc1ccc(C)c(-c2ncco2)c1)c1ccccc1 ZINC000539742243 333689039 /nfs/dbraw/zinc/68/90/39/333689039.db2.gz ZOSICGTZDXMQSN-SFHVURJKSA-N 0 0 292.382 5.213 20 0 CKADRN CSc1ccc(C)c(N[C@@H](C)c2nc3ccccc3o2)c1 ZINC000539773160 333690062 /nfs/dbraw/zinc/69/00/62/333690062.db2.gz QPISQFSMSQWYAJ-LBPRGKRZSA-N 0 0 298.411 5.031 20 0 CKADRN CCc1ccc(N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1C ZINC000539853656 333699031 /nfs/dbraw/zinc/69/90/31/333699031.db2.gz AGIQLBUBCHWJLX-ZDUSSCGKSA-N 0 0 286.419 5.016 20 0 CKADRN Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(Cl)cc2)o1 ZINC000539951254 333704243 /nfs/dbraw/zinc/70/42/43/333704243.db2.gz UHTAPVDMOVQFLK-WDEREUQCSA-N 0 0 281.808 5.192 20 0 CKADRN Cc1cnc([C@H](C)SCc2ccc3ccccc3c2)o1 ZINC000539952485 333704086 /nfs/dbraw/zinc/70/40/86/333704086.db2.gz DSCCEFFARUKGPK-ZDUSSCGKSA-N 0 0 283.396 5.131 20 0 CKADRN Cc1cnc([C@@H](C)SCCCc2ccc(Cl)cc2)o1 ZINC000539952554 333704019 /nfs/dbraw/zinc/70/40/19/333704019.db2.gz GTIFITJQSWJITP-GFCCVEGCSA-N 0 0 295.835 5.063 20 0 CKADRN Cc1cnc([C@@H](C)Sc2c(Cl)cccc2Cl)o1 ZINC000539996201 333705740 /nfs/dbraw/zinc/70/57/40/333705740.db2.gz LLUGUBXUWMSASF-MRVPVSSYSA-N 0 0 288.199 5.143 20 0 CKADRN Cc1cnc([C@H](C)Sc2c(Cl)cccc2Cl)o1 ZINC000539996203 333705674 /nfs/dbraw/zinc/70/56/74/333705674.db2.gz LLUGUBXUWMSASF-QMMMGPOBSA-N 0 0 288.199 5.143 20 0 CKADRN CCc1ccc([C@H](C)N[C@@H](C)c2c(F)cccc2Cl)o1 ZINC000540187022 327807665 /nfs/dbraw/zinc/80/76/65/327807665.db2.gz DSFSMEZFSAZNFN-QWRGUYRKSA-N 0 0 295.785 5.046 20 0 CKADRN Cc1cc(C)c(NC(=O)c2cccc(C3CCC3)c2)c(C)c1 ZINC000540604097 333737406 /nfs/dbraw/zinc/73/74/06/333737406.db2.gz OVCHXKJCBYRZFE-UHFFFAOYSA-N 0 0 293.410 5.132 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000540648777 333740183 /nfs/dbraw/zinc/74/01/83/333740183.db2.gz DNMGZTLLWFMWMJ-CABCVRRESA-N 0 0 287.447 5.308 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000540648779 333740246 /nfs/dbraw/zinc/74/02/46/333740246.db2.gz DNMGZTLLWFMWMJ-HUUCEWRRSA-N 0 0 287.447 5.308 20 0 CKADRN COCc1cccc(N[C@@H](CC(C)C)c2cccs2)c1 ZINC000540697586 333742142 /nfs/dbraw/zinc/74/21/42/333742142.db2.gz FFNHUFCIHYVVQO-INIZCTEOSA-N 0 0 289.444 5.094 20 0 CKADRN Cc1ccc(N[C@@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000540707894 333742827 /nfs/dbraw/zinc/74/28/27/333742827.db2.gz FPMPCKVIRFLRMB-AWEZNQCLSA-N 0 0 294.423 5.292 20 0 CKADRN Cc1ccc(N[C@H](C)c2nc(-c3ccccc3)cs2)cc1 ZINC000540707895 333742716 /nfs/dbraw/zinc/74/27/16/333742716.db2.gz FPMPCKVIRFLRMB-CQSZACIVSA-N 0 0 294.423 5.292 20 0 CKADRN Cc1nc(C(C)C)sc1[C@H](C)Nc1cccc(C)c1 ZINC000540710982 333743221 /nfs/dbraw/zinc/74/32/21/333743221.db2.gz YBVMDSYEZFUPMP-LBPRGKRZSA-N 0 0 274.433 5.056 20 0 CKADRN CC(C)CCCS[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000540715905 333743395 /nfs/dbraw/zinc/74/33/95/333743395.db2.gz UAYPWFYUVZLRAH-NSHDSACASA-N 0 0 296.461 5.029 20 0 CKADRN CC[C@@H](Nc1cccc(COC)c1)c1ccc(Cl)s1 ZINC000540738556 333744687 /nfs/dbraw/zinc/74/46/87/333744687.db2.gz ZJAHPWKEHNIYEZ-CYBMUJFWSA-N 0 0 295.835 5.111 20 0 CKADRN C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1 ZINC000540749562 333745040 /nfs/dbraw/zinc/74/50/40/333745040.db2.gz HKEQRIPOZMPDDO-LLVKDONJSA-N 0 0 296.345 5.017 20 0 CKADRN C[C@H](Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)cc1 ZINC000540749565 333744950 /nfs/dbraw/zinc/74/49/50/333744950.db2.gz HKEQRIPOZMPDDO-NSHDSACASA-N 0 0 296.345 5.017 20 0 CKADRN Cc1c(COC(C)(C)C)cccc1N[C@@H](C)c1ccco1 ZINC000540752642 333745579 /nfs/dbraw/zinc/74/55/79/333745579.db2.gz AZRCYLPBFJGPMC-AWEZNQCLSA-N 0 0 287.403 5.076 20 0 CKADRN Cc1c(COC(C)(C)C)cccc1N[C@H](C)c1ccco1 ZINC000540752646 333745560 /nfs/dbraw/zinc/74/55/60/333745560.db2.gz AZRCYLPBFJGPMC-CQSZACIVSA-N 0 0 287.403 5.076 20 0 CKADRN C[C@@H](Nc1cccc2ccsc21)c1ccc2c(c1)COC2 ZINC000540831106 333749055 /nfs/dbraw/zinc/74/90/55/333749055.db2.gz CKLJJAJFOYHXCT-GFCCVEGCSA-N 0 0 295.407 5.105 20 0 CKADRN C[C@H](Nc1cccc2ccsc21)c1ccc2c(c1)COC2 ZINC000540831107 333749091 /nfs/dbraw/zinc/74/90/91/333749091.db2.gz CKLJJAJFOYHXCT-LBPRGKRZSA-N 0 0 295.407 5.105 20 0 CKADRN Cc1ccsc1[C@H](C)Nc1ccc2cnn(C(C)C)c2c1 ZINC000540832371 333749074 /nfs/dbraw/zinc/74/90/74/333749074.db2.gz DROSOVPQFSSHDC-ZDUSSCGKSA-N 0 0 299.443 5.160 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H](C)c2cccc(C)c2C)c1 ZINC000540833001 333749287 /nfs/dbraw/zinc/74/92/87/333749287.db2.gz NUVLCCGBDFVECV-CVEARBPZSA-N 0 0 283.415 5.184 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@@H](C)c2cccc(C)c2C)c1 ZINC000540833004 333749318 /nfs/dbraw/zinc/74/93/18/333749318.db2.gz NUVLCCGBDFVECV-HOTGVXAUSA-N 0 0 283.415 5.184 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H](c2ccccc2)C(C)C)c1 ZINC000540834267 333749268 /nfs/dbraw/zinc/74/92/68/333749268.db2.gz ZNTKBFOVNFDXEK-BEFAXECRSA-N 0 0 283.415 5.203 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](c2ccccc2)C(C)C)c1 ZINC000540834269 333749292 /nfs/dbraw/zinc/74/92/92/333749292.db2.gz ZNTKBFOVNFDXEK-DNVCBOLYSA-N 0 0 283.415 5.203 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@@H](c2ccccc2)C(C)C)c1 ZINC000540834271 333749315 /nfs/dbraw/zinc/74/93/15/333749315.db2.gz ZNTKBFOVNFDXEK-HNAYVOBHSA-N 0 0 283.415 5.203 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H](c2ccccc2)C(C)C)c1 ZINC000540834272 333749302 /nfs/dbraw/zinc/74/93/02/333749302.db2.gz ZNTKBFOVNFDXEK-KXBFYZLASA-N 0 0 283.415 5.203 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](c2ccc(F)cc2)C2CC2)c1 ZINC000540835356 333749537 /nfs/dbraw/zinc/74/95/37/333749537.db2.gz KBHLBGAHXKNNEP-BFUOFWGJSA-N 0 0 299.389 5.096 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000540835357 333749530 /nfs/dbraw/zinc/74/95/30/333749530.db2.gz KBHLBGAHXKNNEP-DJJJIMSYSA-N 0 0 299.389 5.096 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H](c2ccc(F)cc2)C2CC2)c1 ZINC000540835359 333749582 /nfs/dbraw/zinc/74/95/82/333749582.db2.gz KBHLBGAHXKNNEP-YJYMSZOUSA-N 0 0 299.389 5.096 20 0 CKADRN CSCc1ccc(N[C@H](C)c2cccc(F)c2F)cc1 ZINC000540835362 333749603 /nfs/dbraw/zinc/74/96/03/333749603.db2.gz KKFKLLCGWFTGHC-LLVKDONJSA-N 0 0 293.382 5.001 20 0 CKADRN CCSc1ccc(Cl)cc1N[C@H](C)c1cscn1 ZINC000540835730 333749492 /nfs/dbraw/zinc/74/94/92/333749492.db2.gz QERPFOSBQRPXID-SECBINFHSA-N 0 0 298.864 5.082 20 0 CKADRN CCSc1ccc(Cl)cc1N[C@@H](C)c1cscn1 ZINC000540835734 333749561 /nfs/dbraw/zinc/74/95/61/333749561.db2.gz QERPFOSBQRPXID-VIFPVBQESA-N 0 0 298.864 5.082 20 0 CKADRN CSCc1ccc(N[C@H](C)c2cc(F)cc(F)c2)cc1 ZINC000540835759 333749498 /nfs/dbraw/zinc/74/94/98/333749498.db2.gz QVCCRMLEQCTYQG-LLVKDONJSA-N 0 0 293.382 5.001 20 0 CKADRN CSCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000540835761 333749538 /nfs/dbraw/zinc/74/95/38/333749538.db2.gz QVCCRMLEQCTYQG-NSHDSACASA-N 0 0 293.382 5.001 20 0 CKADRN Cc1ccncc1[C@H](C)Nc1cccc(-c2cccs2)c1 ZINC000540839414 333749978 /nfs/dbraw/zinc/74/99/78/333749978.db2.gz UYFRSXXTBLMRPS-AWEZNQCLSA-N 0 0 294.423 5.292 20 0 CKADRN C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccoc1 ZINC000540839574 333750047 /nfs/dbraw/zinc/75/00/47/333750047.db2.gz WOKXOGNHYSDXCU-GFCCVEGCSA-N 0 0 269.369 5.181 20 0 CKADRN C[C@H](Nc1cccc(-c2cccs2)c1)c1ccoc1 ZINC000540839577 333749979 /nfs/dbraw/zinc/74/99/79/333749979.db2.gz WOKXOGNHYSDXCU-LBPRGKRZSA-N 0 0 269.369 5.181 20 0 CKADRN C[C@@H](Nc1cccc(-c2cccs2)c1)c1ccco1 ZINC000540840532 333749975 /nfs/dbraw/zinc/74/99/75/333749975.db2.gz AVTLLPWYEKFAAD-GFCCVEGCSA-N 0 0 269.369 5.181 20 0 CKADRN CC(C)c1ccc(N[C@H](C)c2nc3ccccc3o2)cc1 ZINC000540854353 333750153 /nfs/dbraw/zinc/75/01/53/333750153.db2.gz PFUMYMPYAJHYTD-CYBMUJFWSA-N 0 0 280.371 5.124 20 0 CKADRN CC(C)c1ccc(N[C@@H](C)c2nc3ccccc3o2)cc1 ZINC000540854363 333750208 /nfs/dbraw/zinc/75/02/08/333750208.db2.gz PFUMYMPYAJHYTD-ZDUSSCGKSA-N 0 0 280.371 5.124 20 0 CKADRN CC(C)c1cnc(CNc2cccc3ccsc32)s1 ZINC000541382262 333774662 /nfs/dbraw/zinc/77/46/62/333774662.db2.gz UGDBFRLHQFHJQW-UHFFFAOYSA-N 0 0 288.441 5.093 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)[C@H](C)CCC(C)(C)C ZINC000541581097 333782054 /nfs/dbraw/zinc/78/20/54/333782054.db2.gz COCWQCARCBOHIR-GFCCVEGCSA-N 0 0 281.827 5.049 20 0 CKADRN Cc1cccc(Cl)c1NC(=O)[C@@H](C)CCC(C)(C)C ZINC000541581101 333782046 /nfs/dbraw/zinc/78/20/46/333782046.db2.gz COCWQCARCBOHIR-LBPRGKRZSA-N 0 0 281.827 5.049 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1Cl)c1cccs1 ZINC000541738263 333788571 /nfs/dbraw/zinc/78/85/71/333788571.db2.gz DQDUFVUALPFPDU-QMMMGPOBSA-N 0 0 287.762 5.512 20 0 CKADRN Cc1ccsc1CNc1cccc(C(F)F)c1Cl ZINC000541760412 333790673 /nfs/dbraw/zinc/79/06/73/333790673.db2.gz LRCNXOZNMXYQRR-UHFFFAOYSA-N 0 0 287.762 5.260 20 0 CKADRN Fc1ccccc1CNc1cccc(C(F)F)c1Cl ZINC000541761351 333790737 /nfs/dbraw/zinc/79/07/37/333790737.db2.gz WIEUTHVLOUYVGW-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN CCC[C@@H](Nc1cccc2ccsc21)c1cccnc1 ZINC000541766502 328130249 /nfs/dbraw/zinc/13/02/49/328130249.db2.gz CESNMVRDIOOMKP-OAHLLOKOSA-N 0 0 282.412 5.250 20 0 CKADRN CCOCc1ccc(N[C@@H](c2ccc(C)o2)C2CCC2)cc1 ZINC000541767538 333791348 /nfs/dbraw/zinc/79/13/48/333791348.db2.gz CYVHWFZYZRTEMS-LJQANCHMSA-N 0 0 299.414 5.078 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1 ZINC000541768022 333791336 /nfs/dbraw/zinc/79/13/36/333791336.db2.gz BRWSNBIOWANYNJ-AUUYWEPGSA-N 0 0 299.414 5.249 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1 ZINC000541768023 333791312 /nfs/dbraw/zinc/79/13/12/333791312.db2.gz BRWSNBIOWANYNJ-IFXJQAMLSA-N 0 0 299.414 5.249 20 0 CKADRN CO[C@@H](C)c1cccc(N[C@H](c2ccc(C)o2)C2CCC2)c1 ZINC000541768025 333791147 /nfs/dbraw/zinc/79/11/47/333791147.db2.gz BRWSNBIOWANYNJ-LIRRHRJNSA-N 0 0 299.414 5.249 20 0 CKADRN CCC[C@H](Nc1cccc(SCC)c1)c1cccnc1 ZINC000541768156 333791330 /nfs/dbraw/zinc/79/13/30/333791330.db2.gz MAHDMCYBAWYGDI-KRWDZBQOSA-N 0 0 286.444 5.147 20 0 CKADRN CCC[C@@H](Nc1cccc(SCC)c1)c1cccnc1 ZINC000541768157 333791202 /nfs/dbraw/zinc/79/12/02/333791202.db2.gz MAHDMCYBAWYGDI-QGZVFWFLSA-N 0 0 286.444 5.147 20 0 CKADRN COCc1cccc(N[C@H](c2ccc(C)o2)C2CCCC2)c1 ZINC000541770345 333791439 /nfs/dbraw/zinc/79/14/39/333791439.db2.gz WDNFAADYUKXJQW-IBGZPJMESA-N 0 0 299.414 5.078 20 0 CKADRN COCc1cccc(N[C@@H](c2ccc(C)o2)C2CCCC2)c1 ZINC000541770347 333791629 /nfs/dbraw/zinc/79/16/29/333791629.db2.gz WDNFAADYUKXJQW-LJQANCHMSA-N 0 0 299.414 5.078 20 0 CKADRN FC(F)c1cccc(NCc2ccc(Cl)o2)c1Cl ZINC000541781493 333792490 /nfs/dbraw/zinc/79/24/90/333792490.db2.gz CEEGZZPKPDDTIY-UHFFFAOYSA-N 0 0 292.112 5.136 20 0 CKADRN CCC[C@H](CC)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000542048183 333808458 /nfs/dbraw/zinc/80/84/58/333808458.db2.gz ZDZQVGMFDATMNP-INIZCTEOSA-N 0 0 296.414 5.113 20 0 CKADRN FC(F)(F)CCCCSCCCc1ccsc1 ZINC000542088096 333809458 /nfs/dbraw/zinc/80/94/58/333809458.db2.gz HFTRLKIAYXADFN-UHFFFAOYSA-N 0 0 282.396 5.147 20 0 CKADRN C[C@@H](SCc1nc(C2CC2)cs1)c1cccc(F)c1 ZINC000542224536 333817318 /nfs/dbraw/zinc/81/73/18/333817318.db2.gz DLSHPBHSJHNNKE-SNVBAGLBSA-N 0 0 293.432 5.154 20 0 CKADRN Fc1ccc(SCc2nc(C3CC3)cs2)cc1Cl ZINC000542225053 333817231 /nfs/dbraw/zinc/81/72/31/333817231.db2.gz XCVYYXYNWOEYSM-UHFFFAOYSA-N 0 0 299.823 5.105 20 0 CKADRN CC(C)(C)CCC(=O)Nc1cccc(C(F)F)c1Cl ZINC000542576304 333832886 /nfs/dbraw/zinc/83/28/86/333832886.db2.gz PBLMEQLZWGOUQQ-UHFFFAOYSA-N 0 0 289.753 5.042 20 0 CKADRN Cc1ccc([C@@H](C)Nc2cccc(C(F)F)c2Cl)o1 ZINC000542665961 333835356 /nfs/dbraw/zinc/83/53/56/333835356.db2.gz SLCQDPFXPLBRCS-SECBINFHSA-N 0 0 285.721 5.352 20 0 CKADRN Cc1ccc([C@H](C)Nc2cccc(C(F)F)c2Cl)o1 ZINC000542665962 333835199 /nfs/dbraw/zinc/83/51/99/333835199.db2.gz SLCQDPFXPLBRCS-VIFPVBQESA-N 0 0 285.721 5.352 20 0 CKADRN CCC[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000542697659 333837199 /nfs/dbraw/zinc/83/71/99/333837199.db2.gz VKQHHOACOAKVBI-OAHLLOKOSA-N 0 0 294.320 5.054 20 0 CKADRN CCOCc1cccc(N[C@@H](c2ccc(C)o2)C2CCC2)c1 ZINC000542698558 333836961 /nfs/dbraw/zinc/83/69/61/333836961.db2.gz WITCETGDEVACQW-LJQANCHMSA-N 0 0 299.414 5.078 20 0 CKADRN C[C@H](SCc1nc(C2CC2)cs1)c1ccccc1 ZINC000543150885 333861179 /nfs/dbraw/zinc/86/11/79/333861179.db2.gz CHGDSMBBZMRWFN-NSHDSACASA-N 0 0 275.442 5.015 20 0 CKADRN C[C@H](CCC(F)(F)F)Nc1cccc2ccsc21 ZINC000543414007 333872620 /nfs/dbraw/zinc/87/26/20/333872620.db2.gz LCRFHEOFKYOMLF-SECBINFHSA-N 0 0 273.323 5.044 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccco1 ZINC000543598798 333883184 /nfs/dbraw/zinc/88/31/84/333883184.db2.gz FZLNPNKTOGLCRS-MRVPVSSYSA-N 0 0 271.694 5.044 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccco1 ZINC000543598799 333883181 /nfs/dbraw/zinc/88/31/81/333883181.db2.gz FZLNPNKTOGLCRS-QMMMGPOBSA-N 0 0 271.694 5.044 20 0 CKADRN CCC[C@@H](Nc1csc2ccccc12)c1cccnc1 ZINC000543599516 333883078 /nfs/dbraw/zinc/88/30/78/333883078.db2.gz YBKNVMMXXPNGPD-OAHLLOKOSA-N 0 0 282.412 5.250 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccon1)c1ccc(C2CCCCC2)cc1 ZINC000543627375 333885863 /nfs/dbraw/zinc/88/58/63/333885863.db2.gz VPBTXIOJIZYURV-CABCVRRESA-N 0 0 298.430 5.134 20 0 CKADRN C[C@H](N[C@@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627378 333885799 /nfs/dbraw/zinc/88/57/99/333885799.db2.gz VPBTXIOJIZYURV-GJZGRUSLSA-N 0 0 298.430 5.134 20 0 CKADRN C[C@@H](N[C@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627380 333885782 /nfs/dbraw/zinc/88/57/82/333885782.db2.gz VPBTXIOJIZYURV-HUUCEWRRSA-N 0 0 298.430 5.134 20 0 CKADRN C[C@@H](N[C@@H](C)c1ccc(C2CCCCC2)cc1)c1ccon1 ZINC000543627382 333885784 /nfs/dbraw/zinc/88/57/84/333885784.db2.gz VPBTXIOJIZYURV-LSDHHAIUSA-N 0 0 298.430 5.134 20 0 CKADRN CCC[C@@H](Nc1cccc(C(C)C)c1)c1cccnc1 ZINC000543636883 333886538 /nfs/dbraw/zinc/88/65/38/333886538.db2.gz RBNJLNMUJCMVRW-GOSISDBHSA-N 0 0 268.404 5.158 20 0 CKADRN CCC[C@H](Nc1cccc(C(C)C)c1)c1cccnc1 ZINC000543636884 333886535 /nfs/dbraw/zinc/88/65/35/333886535.db2.gz RBNJLNMUJCMVRW-SFHVURJKSA-N 0 0 268.404 5.158 20 0 CKADRN C[C@H](SCc1nc(C2CC2)cs1)c1ccc(F)cc1 ZINC000544074954 333914779 /nfs/dbraw/zinc/91/47/79/333914779.db2.gz HLGZVFDDMWURIU-JTQLQIEISA-N 0 0 293.432 5.154 20 0 CKADRN Cc1cnc([C@H](C)S[C@H]2CCc3ccc(Cl)cc32)o1 ZINC000544084540 333915145 /nfs/dbraw/zinc/91/51/45/333915145.db2.gz GLQHFEGMZVXCPE-HZMBPMFUSA-N 0 0 293.819 5.118 20 0 CKADRN Cc1cnc([C@@H](C)S[C@@H]2CCc3ccc(Cl)cc32)o1 ZINC000544084542 333915150 /nfs/dbraw/zinc/91/51/50/333915150.db2.gz GLQHFEGMZVXCPE-QMTHXVAHSA-N 0 0 293.819 5.118 20 0 CKADRN C[C@@H](Nc1cccc(C(F)F)c1Cl)c1ccsc1 ZINC000544572691 333936660 /nfs/dbraw/zinc/93/66/60/333936660.db2.gz ONTJPKCMPDIQBM-MRVPVSSYSA-N 0 0 287.762 5.512 20 0 CKADRN C[C@H](Nc1cccc(C(F)F)c1Cl)c1ccsc1 ZINC000544572695 333936641 /nfs/dbraw/zinc/93/66/41/333936641.db2.gz ONTJPKCMPDIQBM-QMMMGPOBSA-N 0 0 287.762 5.512 20 0 CKADRN Fc1ccc(CNc2cccc(C(F)F)c2Cl)cc1 ZINC000544596320 333938984 /nfs/dbraw/zinc/93/89/84/333938984.db2.gz OQGBDXFHCYFVAZ-UHFFFAOYSA-N 0 0 285.696 5.029 20 0 CKADRN Cc1ccc(Cl)c(NC(=O)c2ccc(C(C)C)s2)c1 ZINC000544833196 333948341 /nfs/dbraw/zinc/94/83/41/333948341.db2.gz RIMFMQBFLZRNIM-UHFFFAOYSA-N 0 0 293.819 5.086 20 0 CKADRN CC(C)c1ccc(C(=O)Nc2ccccc2C(C)C)s1 ZINC000545446546 333982267 /nfs/dbraw/zinc/98/22/67/333982267.db2.gz MCCVROGPVPLXSS-UHFFFAOYSA-N 0 0 287.428 5.247 20 0 CKADRN 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Cc1cnc([C@H](C)Nc2ccc(-c3ccccc3)c(C)c2)o1 ZINC000547241879 334074802 /nfs/dbraw/zinc/07/48/02/334074802.db2.gz AJFBTQWDUVGXJG-HNNXBMFYSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1cnc([C@@H](C)Nc2ccc(-c3ccccc3)c(C)c2)o1 ZINC000547241880 334074694 /nfs/dbraw/zinc/07/46/94/334074694.db2.gz AJFBTQWDUVGXJG-OAHLLOKOSA-N 0 0 292.382 5.132 20 0 CKADRN Cc1csc(CNc2ccc(-c3ccccc3)c(C)c2)n1 ZINC000547246378 334074948 /nfs/dbraw/zinc/07/49/48/334074948.db2.gz JXKZAZGXUJKCKM-UHFFFAOYSA-N 0 0 294.423 5.039 20 0 CKADRN CC[C@@H](C)N(C(=O)c1cc2sccc2s1)[C@H](C)CC ZINC000547348471 334082124 /nfs/dbraw/zinc/08/21/24/334082124.db2.gz RXKHTYXJVHCLAC-GHMZBOCLSA-N 0 0 295.473 5.002 20 0 CKADRN CC[C@@H](C)N(C(=O)c1cc2sccc2s1)[C@@H](C)CC ZINC000547348472 334082192 /nfs/dbraw/zinc/08/21/92/334082192.db2.gz RXKHTYXJVHCLAC-PHIMTYICSA-N 0 0 295.473 5.002 20 0 CKADRN CC[C@H](C)N(C(=O)c1cc2sccc2s1)[C@@H](C)CC ZINC000547348473 334082239 /nfs/dbraw/zinc/08/22/39/334082239.db2.gz RXKHTYXJVHCLAC-QWRGUYRKSA-N 0 0 295.473 5.002 20 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C[C@@H](Nc1cccc2cc[nH]c21)c1cccc(Cl)c1F ZINC000547806688 334120082 /nfs/dbraw/zinc/12/00/82/334120082.db2.gz VNYVJEMWIUBAJL-SNVBAGLBSA-N 0 0 288.753 5.134 20 0 CKADRN CCc1cnc(CS[C@H](C)c2cccc(Cl)c2F)o1 ZINC000547813228 329166672 /nfs/dbraw/zinc/16/66/72/329166672.db2.gz UFKIYOIICAKLEL-SECBINFHSA-N 0 0 299.798 5.024 20 0 CKADRN CCc1cnc(CS[C@@H](C)c2cccc(Cl)c2F)o1 ZINC000547813232 329166741 /nfs/dbraw/zinc/16/67/41/329166741.db2.gz UFKIYOIICAKLEL-VIFPVBQESA-N 0 0 299.798 5.024 20 0 CKADRN c1cc2cccc(NCc3ccc(-c4ccccc4)o3)c2[nH]1 ZINC000548146859 334142703 /nfs/dbraw/zinc/14/27/03/334142703.db2.gz OBQSMDDIGHDRRK-UHFFFAOYSA-N 0 0 288.350 5.040 20 0 CKADRN Clc1cccc(CNc2cccc3cc[nH]c32)c1Cl ZINC000548474331 334158992 /nfs/dbraw/zinc/15/89/92/334158992.db2.gz NVWRBJDNZGDVBB-UHFFFAOYSA-N 0 0 291.181 5.087 20 0 CKADRN CSCc1cccc(N[C@H](C)CCCC(F)(F)F)c1 ZINC000548483584 334159648 /nfs/dbraw/zinc/15/96/48/334159648.db2.gz OSROUTGKTBDSBR-LLVKDONJSA-N 0 0 291.382 5.083 20 0 CKADRN 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Cc1cnc([C@H](C)S[C@@H]2CCCCc3ccccc32)o1 ZINC000552649428 334340967 /nfs/dbraw/zinc/34/09/67/334340967.db2.gz ZUPAWDOBSMTPKU-XJKSGUPXSA-N 0 0 287.428 5.245 20 0 CKADRN Cc1ccccc1NC(=O)c1coc2ccc(C(C)C)cc12 ZINC000553044227 334358315 /nfs/dbraw/zinc/35/83/15/334358315.db2.gz AKVJJTIRNZUIHW-UHFFFAOYSA-N 0 0 293.366 5.117 20 0 CKADRN Cc1cc2cc[nH]c2cc1NC(=O)CCCCC(C)(C)C ZINC000553522098 334389982 /nfs/dbraw/zinc/38/99/82/334389982.db2.gz GKKYYFZZHGMHIQ-UHFFFAOYSA-N 0 0 286.419 5.021 20 0 CKADRN C/C=C/c1ccc(N[C@H]2CCCNc3ccccc32)cc1 ZINC000554087055 334410455 /nfs/dbraw/zinc/41/04/55/334410455.db2.gz UGPRDGKSXYWHMO-JYFUDLLOSA-N 0 0 278.399 5.079 20 0 CKADRN C/C=C\c1ccc(N[C@H]2CCCNc3ccccc32)cc1 ZINC000554087058 334410449 /nfs/dbraw/zinc/41/04/49/334410449.db2.gz UGPRDGKSXYWHMO-WHBBVXQDSA-N 0 0 278.399 5.079 20 0 CKADRN c1csc(SCCCSc2cccs2)c1 ZINC000554733631 334449585 /nfs/dbraw/zinc/44/95/85/334449585.db2.gz FVYPEIZCPJZDSU-UHFFFAOYSA-N 0 0 272.485 5.084 20 0 CKADRN CCSc1cccc(N[C@@H]2CCCNc3ccccc32)c1 ZINC000554857792 334456577 /nfs/dbraw/zinc/45/65/77/334456577.db2.gz XVSMWCIDZLULGY-GOSISDBHSA-N 0 0 298.455 5.158 20 0 CKADRN CCSc1cccc(N[C@H]2CCCNc3ccccc32)c1 ZINC000554857795 334456769 /nfs/dbraw/zinc/45/67/69/334456769.db2.gz XVSMWCIDZLULGY-SFHVURJKSA-N 0 0 298.455 5.158 20 0 CKADRN Clc1scc(CNc2cccc3cc[nH]c32)c1Cl ZINC000555762201 327249337 /nfs/dbraw/zinc/24/93/37/327249337.db2.gz DJYUOZTZNUCGEN-UHFFFAOYSA-N 0 0 297.210 5.148 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H](C)c2cccc(C3CC3)c2)c1 ZINC000556159421 334497924 /nfs/dbraw/zinc/49/79/24/334497924.db2.gz GXICOFBRYFGQBJ-LSDHHAIUSA-N 0 0 295.426 5.445 20 0 CKADRN CCC[C@@H](Nc1cccc(O[C@H](C)CC)c1)c1ccccn1 ZINC000556218449 334500587 /nfs/dbraw/zinc/50/05/87/334500587.db2.gz UQCNEKPUMMSUBM-DNVCBOLYSA-N 0 0 298.430 5.212 20 0 CKADRN CCC[C@H](Nc1cccc(O[C@@H](C)CC)c1)c1ccccn1 ZINC000556218451 334500646 /nfs/dbraw/zinc/50/06/46/334500646.db2.gz UQCNEKPUMMSUBM-KXBFYZLASA-N 0 0 298.430 5.212 20 0 CKADRN Cc1ccccc1-c1cnc(CSCCCCCF)o1 ZINC000556290940 334506991 /nfs/dbraw/zinc/50/69/91/334506991.db2.gz CWEISEITZKVHDX-UHFFFAOYSA-N 0 0 293.407 5.023 20 0 CKADRN Cc1ccc(C)c(N(C(=O)c2occc2C(C)C)C(C)C)c1 ZINC000556356811 326923004 /nfs/dbraw/zinc/92/30/04/326923004.db2.gz UFDBQIWQJBSNAD-UHFFFAOYSA-N 0 0 299.414 5.075 20 0 CKADRN CC(C)CCc1ccccc1NC(=O)c1occc1C(C)C ZINC000556401329 326939013 /nfs/dbraw/zinc/93/90/13/326939013.db2.gz YBXCJGGLJAUZLR-UHFFFAOYSA-N 0 0 299.414 5.244 20 0 CKADRN Cc1oc(C(C)C)cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000556880762 326977566 /nfs/dbraw/zinc/97/75/66/326977566.db2.gz SYCMKPCZZBPEMO-UHFFFAOYSA-N 0 0 299.414 5.396 20 0 CKADRN CC(C)(C)CCCCC(=O)N1CCC[C@H]1c1cccs1 ZINC000557356483 327002729 /nfs/dbraw/zinc/00/27/29/327002729.db2.gz NPTIGLYBFHBTEW-AWEZNQCLSA-N 0 0 293.476 5.018 20 0 CKADRN CC(C)(C)CCCCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000557356489 327002712 /nfs/dbraw/zinc/00/27/12/327002712.db2.gz NPTIGLYBFHBTEW-CQSZACIVSA-N 0 0 293.476 5.018 20 0 CKADRN CC(C)(C)CCCCC(=O)N1CCC[C@H]1c1ccsc1 ZINC000557429420 327005270 /nfs/dbraw/zinc/00/52/70/327005270.db2.gz ZSETTYRYSMFDDH-HNNXBMFYSA-N 0 0 293.476 5.018 20 0 CKADRN CC(C)(C)CCCCC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000557429428 327005175 /nfs/dbraw/zinc/00/51/75/327005175.db2.gz ZSETTYRYSMFDDH-OAHLLOKOSA-N 0 0 293.476 5.018 20 0 CKADRN O=[S@@](Cc1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000557518407 327010995 /nfs/dbraw/zinc/01/09/95/327010995.db2.gz HEEISTYJCJJBRJ-NRFANRHFSA-N 0 0 298.451 5.042 20 0 CKADRN O=[S@](Cc1ccccc1)c1ccc(C2CCCCC2)cc1 ZINC000557518408 327011096 /nfs/dbraw/zinc/01/10/96/327011096.db2.gz HEEISTYJCJJBRJ-OAQYLSRUSA-N 0 0 298.451 5.042 20 0 CKADRN C/C=C\c1ccc(NC(=O)c2ccccc2SCC)cc1 ZINC000557965631 327037816 /nfs/dbraw/zinc/03/78/16/327037816.db2.gz DCPGWTBZLSJCBQ-CLTKARDFSA-N 0 0 297.423 5.084 20 0 CKADRN C/C=C/c1ccc(NC(=O)c2ccccc2SCC)cc1 ZINC000557965633 327037798 /nfs/dbraw/zinc/03/77/98/327037798.db2.gz DCPGWTBZLSJCBQ-XVNBXDOJSA-N 0 0 297.423 5.084 20 0 CKADRN C[C@@H](Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000558030834 327043348 /nfs/dbraw/zinc/04/33/48/327043348.db2.gz LONWTPNMHZMAPW-GFCCVEGCSA-N 0 0 298.386 5.122 20 0 CKADRN C[C@H](Nc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 ZINC000558030836 327043488 /nfs/dbraw/zinc/04/34/88/327043488.db2.gz LONWTPNMHZMAPW-LBPRGKRZSA-N 0 0 298.386 5.122 20 0 CKADRN Cc1ccc2c(c1)[C@@H](Nc1ccc(COC(C)C)cc1)CC2 ZINC000558057980 327051363 /nfs/dbraw/zinc/05/13/63/327051363.db2.gz VARZNJWQTIUTIU-FQEVSTJZSA-N 0 0 295.426 5.019 20 0 CKADRN Cc1ccc2c(c1)[C@H](Nc1ccc(COC(C)C)cc1)CC2 ZINC000558058224 327051461 /nfs/dbraw/zinc/05/14/61/327051461.db2.gz VARZNJWQTIUTIU-HXUWFJFHSA-N 0 0 295.426 5.019 20 0 CKADRN Cc1oc(C(C)C)cc1C(=O)N(c1ccccc1C)C(C)C ZINC000558102942 327073675 /nfs/dbraw/zinc/07/36/75/327073675.db2.gz ACABBDBVPZPEQG-UHFFFAOYSA-N 0 0 299.414 5.075 20 0 CKADRN C/C=C\c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000558256657 327083186 /nfs/dbraw/zinc/08/31/86/327083186.db2.gz OGQPDJSHQMKDHX-BYPUDFOVSA-N 0 0 295.430 5.204 20 0 CKADRN C/C=C\c1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000558256661 327083249 /nfs/dbraw/zinc/08/32/49/327083249.db2.gz OGQPDJSHQMKDHX-OMVNSRBRSA-N 0 0 295.430 5.204 20 0 CKADRN C/C=C/c1ccc(N[C@@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000558256663 327083252 /nfs/dbraw/zinc/08/32/52/327083252.db2.gz OGQPDJSHQMKDHX-VFQAQYNWSA-N 0 0 295.430 5.204 20 0 CKADRN C/C=C/c1ccc(N[C@H](C)c2cnn(C3CCCC3)c2)cc1 ZINC000558256665 327083266 /nfs/dbraw/zinc/08/32/66/327083266.db2.gz OGQPDJSHQMKDHX-YFCVBGDOSA-N 0 0 295.430 5.204 20 0 CKADRN C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1nc2ccccc2o1 ZINC000558327884 327087353 /nfs/dbraw/zinc/08/73/53/327087353.db2.gz HQKJMLVQOJXQRA-CYBMUJFWSA-N 0 0 294.398 5.298 20 0 CKADRN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1nc2ccccc2o1 ZINC000558327885 327087464 /nfs/dbraw/zinc/08/74/64/327087464.db2.gz HQKJMLVQOJXQRA-ZDUSSCGKSA-N 0 0 294.398 5.298 20 0 CKADRN C[C@@H](Nc1ccc(Cl)cc1)c1nccc2ccccc21 ZINC000558506213 327099536 /nfs/dbraw/zinc/09/95/36/327099536.db2.gz WGNANQIFJHYTRD-GFCCVEGCSA-N 0 0 282.774 5.061 20 0 CKADRN C[C@H](Nc1ccc(Cl)cc1)c1nccc2ccccc21 ZINC000558506216 327099411 /nfs/dbraw/zinc/09/94/11/327099411.db2.gz WGNANQIFJHYTRD-LBPRGKRZSA-N 0 0 282.774 5.061 20 0 CKADRN Cc1cc(NCCC(F)(F)F)ccc1-c1ccccc1 ZINC000558604289 327108576 /nfs/dbraw/zinc/10/85/76/327108576.db2.gz IXQRCDIVUREPHY-UHFFFAOYSA-N 0 0 279.305 5.026 20 0 CKADRN Cc1cc([C@H](C)NCc2cccc(Cl)c2Cl)oc1C ZINC000558623567 327109852 /nfs/dbraw/zinc/10/98/52/327109852.db2.gz WWSXSRMYCLVDQZ-JTQLQIEISA-N 0 0 298.213 5.054 20 0 CKADRN Cc1cc([C@@H](C)NCc2cccc(Cl)c2Cl)oc1C ZINC000558623569 327109835 /nfs/dbraw/zinc/10/98/35/327109835.db2.gz WWSXSRMYCLVDQZ-SNVBAGLBSA-N 0 0 298.213 5.054 20 0 CKADRN Cc1sccc1CNc1ccccc1CCC(F)(F)F ZINC000559282126 327154360 /nfs/dbraw/zinc/15/43/60/327154360.db2.gz GVPGOMBZVRDUNK-UHFFFAOYSA-N 0 0 299.361 5.164 20 0 CKADRN Cc1coc(C)c1C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000559518297 327251907 /nfs/dbraw/zinc/25/19/07/327251907.db2.gz ZPPLHVKJASNZBM-UHFFFAOYSA-N 0 0 299.414 5.396 20 0 CKADRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c3ccccc32)o1 ZINC000559736810 327259508 /nfs/dbraw/zinc/25/95/08/327259508.db2.gz ULXQCEAFRULZOZ-KBPBESRZSA-N 0 0 297.373 5.292 20 0 CKADRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c3ccccc32)o1 ZINC000559736819 327259471 /nfs/dbraw/zinc/25/94/71/327259471.db2.gz ULXQCEAFRULZOZ-KGLIPLIRSA-N 0 0 297.373 5.292 20 0 CKADRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c3ccccc32)o1 ZINC000559736822 327259525 /nfs/dbraw/zinc/25/95/25/327259525.db2.gz ULXQCEAFRULZOZ-UONOGXRCSA-N 0 0 297.373 5.292 20 0 CKADRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c3ccccc32)o1 ZINC000559736825 327259534 /nfs/dbraw/zinc/25/95/34/327259534.db2.gz ULXQCEAFRULZOZ-ZIAGYGMSSA-N 0 0 297.373 5.292 20 0 CKADRN Cc1ccsc1C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000559738462 327259559 /nfs/dbraw/zinc/25/95/59/327259559.db2.gz FFXBSYNLLRJICX-CYBMUJFWSA-N 0 0 299.414 5.200 20 0 CKADRN Cc1ccsc1C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000559738463 327259510 /nfs/dbraw/zinc/25/95/10/327259510.db2.gz FFXBSYNLLRJICX-ZDUSSCGKSA-N 0 0 299.414 5.200 20 0 CKADRN CC[C@@H](C)Oc1cccc(N[C@H](c2cccnc2)C(C)C)c1 ZINC000559878716 327267714 /nfs/dbraw/zinc/26/77/14/327267714.db2.gz SJBZYRIRDNLTNX-BEFAXECRSA-N 0 0 298.430 5.068 20 0 CKADRN CC[C@@H](C)Oc1cccc(N[C@@H](c2cccnc2)C(C)C)c1 ZINC000559878719 327267638 /nfs/dbraw/zinc/26/76/38/327267638.db2.gz SJBZYRIRDNLTNX-DNVCBOLYSA-N 0 0 298.430 5.068 20 0 CKADRN CC[C@H](C)Oc1cccc(N[C@@H](c2cccnc2)C(C)C)c1 ZINC000559878722 327267716 /nfs/dbraw/zinc/26/77/16/327267716.db2.gz SJBZYRIRDNLTNX-HNAYVOBHSA-N 0 0 298.430 5.068 20 0 CKADRN CC[C@H](C)Oc1cccc(N[C@H](c2cccnc2)C(C)C)c1 ZINC000559878726 327267835 /nfs/dbraw/zinc/26/78/35/327267835.db2.gz SJBZYRIRDNLTNX-KXBFYZLASA-N 0 0 298.430 5.068 20 0 CKADRN CCC(C)(C)c1ccc(N[C@H](C)c2ccncc2F)cc1 ZINC000559900697 327270049 /nfs/dbraw/zinc/27/00/49/327270049.db2.gz RPZNXGRCXFUGGK-CYBMUJFWSA-N 0 0 286.394 5.081 20 0 CKADRN CCC(C)(C)c1ccc(N[C@@H](C)c2ccncc2F)cc1 ZINC000559900698 327270058 /nfs/dbraw/zinc/27/00/58/327270058.db2.gz RPZNXGRCXFUGGK-ZDUSSCGKSA-N 0 0 286.394 5.081 20 0 CKADRN Cc1oc(-c2ccsc2)nc1CSCCCCCF ZINC000559954124 327273590 /nfs/dbraw/zinc/27/35/90/327273590.db2.gz DVWJERVQJLRSGK-UHFFFAOYSA-N 0 0 299.436 5.085 20 0 CKADRN CCCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000560115924 327284780 /nfs/dbraw/zinc/28/47/80/327284780.db2.gz FIDJKVUMYQZMSJ-CRAIPNDOSA-N 0 0 299.458 5.303 20 0 CKADRN C=Cc1ccc(C(=O)Nc2c(CC)cc(C)cc2CC)cc1 ZINC000560121112 327285301 /nfs/dbraw/zinc/28/53/01/327285301.db2.gz KVFWTNWQBRZRDQ-UHFFFAOYSA-N 0 0 293.410 5.015 20 0 CKADRN COCc1cccc(N[C@H](CCC(C)C)c2ccoc2)c1 ZINC000560546424 327322664 /nfs/dbraw/zinc/32/26/64/327322664.db2.gz SCKBDRLIYXCBKX-GOSISDBHSA-N 0 0 287.403 5.015 20 0 CKADRN COCc1cccc(N[C@@H](CCC(C)C)c2ccoc2)c1 ZINC000560546429 327322696 /nfs/dbraw/zinc/32/26/96/327322696.db2.gz SCKBDRLIYXCBKX-SFHVURJKSA-N 0 0 287.403 5.015 20 0 CKADRN Cc1cscc1NC(=O)c1coc2ccc(C(C)C)cc21 ZINC000561228626 327377653 /nfs/dbraw/zinc/37/76/53/327377653.db2.gz UVQDKRNYXQPSGC-UHFFFAOYSA-N 0 0 299.395 5.178 20 0 CKADRN CC(C)(c1ccc(NCCCCCF)cc1)C(F)(F)F ZINC000561281454 327382413 /nfs/dbraw/zinc/38/24/13/327382413.db2.gz QGCTXQVOXQVCBN-UHFFFAOYSA-N 0 0 291.332 5.078 20 0 CKADRN CCCCN(C(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000561708162 327412069 /nfs/dbraw/zinc/41/20/69/327412069.db2.gz HCVYLQOXYXOHJP-UHFFFAOYSA-N 0 0 299.414 5.008 20 0 CKADRN C/C=C/c1ccc(NCc2ncc(-c3cccs3)o2)cc1 ZINC000561851785 327425600 /nfs/dbraw/zinc/42/56/00/327425600.db2.gz PNMDRMRINVBQCP-DUXPYHPUSA-N 0 0 296.395 5.048 20 0 CKADRN C/C=C\c1ccc(NCc2ncc(-c3cccs3)o2)cc1 ZINC000561851786 327425603 /nfs/dbraw/zinc/42/56/03/327425603.db2.gz PNMDRMRINVBQCP-RQOWECAXSA-N 0 0 296.395 5.048 20 0 CKADRN CCOCc1cccc(N[C@H](C)c2ccc(CC)s2)c1 ZINC000561881422 327428576 /nfs/dbraw/zinc/42/85/76/327428576.db2.gz GSHLQZLRVZTOLH-CYBMUJFWSA-N 0 0 289.444 5.020 20 0 CKADRN CCOCc1cccc(N[C@@H](C)c2ccc(CC)s2)c1 ZINC000561881423 327428545 /nfs/dbraw/zinc/42/85/45/327428545.db2.gz GSHLQZLRVZTOLH-ZDUSSCGKSA-N 0 0 289.444 5.020 20 0 CKADRN Cc1nc2ccc(N[C@@H](C)c3cc4ccccc4o3)cc2o1 ZINC000561882137 327428586 /nfs/dbraw/zinc/42/85/86/327428586.db2.gz UCWGWCUTRLLODT-NSHDSACASA-N 0 0 292.338 5.056 20 0 CKADRN F[C@H](CC1CCCCC1)c1nc([C@@H]2CCCCS2)no1 ZINC000561905288 327429935 /nfs/dbraw/zinc/42/99/35/327429935.db2.gz GFTXCMSAZDDGLB-OLZOCXBDSA-N 0 0 298.427 5.009 20 0 CKADRN Cc1ncsc1CS[C@H](C)c1ccccc1Cl ZINC000562039280 327441670 /nfs/dbraw/zinc/44/16/70/327441670.db2.gz YSGRFSSIXDQCJU-SNVBAGLBSA-N 0 0 283.849 5.099 20 0 CKADRN C/C=C\c1ccc(N[C@H](C)c2cnn(C(C)(C)C)c2C)cc1 ZINC000562056798 327444798 /nfs/dbraw/zinc/44/47/98/327444798.db2.gz LBJVAPNPGWEKKR-WBTMPAOCSA-N 0 0 297.446 5.153 20 0 CKADRN C/C=C/c1ccc(N[C@H](C)c2sc(CC)nc2C)cc1 ZINC000562058580 327445546 /nfs/dbraw/zinc/44/55/46/327445546.db2.gz WEQFVLSHDLIQGV-HOSRBBHYSA-N 0 0 286.444 5.220 20 0 CKADRN C/C=C\c1ccc(N[C@H](C)c2sc(CC)nc2C)cc1 ZINC000562058583 327445550 /nfs/dbraw/zinc/44/55/50/327445550.db2.gz WEQFVLSHDLIQGV-SMYYYNMVSA-N 0 0 286.444 5.220 20 0 CKADRN C/C=C\c1ccc(N[C@H](CCC)c2ccccn2)cc1 ZINC000562060367 327445959 /nfs/dbraw/zinc/44/59/59/327445959.db2.gz XFOMYBLEDBTZHC-BKSIFSGMSA-N 0 0 266.388 5.068 20 0 CKADRN CSc1ccc(CNc2cccc(SC)c2C)s1 ZINC000562071728 327446749 /nfs/dbraw/zinc/44/67/49/327446749.db2.gz OTKKIYYLVSOQQP-UHFFFAOYSA-N 0 0 295.498 5.112 20 0 CKADRN CSc1cccc(N[C@H](C)c2nccc3ccccc32)c1 ZINC000562084401 327448163 /nfs/dbraw/zinc/44/81/63/327448163.db2.gz RIUAYICWGDQPDZ-CYBMUJFWSA-N 0 0 294.423 5.130 20 0 CKADRN CSc1cccc(N[C@@H](C)c2nccc3ccccc32)c1 ZINC000562084405 327448159 /nfs/dbraw/zinc/44/81/59/327448159.db2.gz RIUAYICWGDQPDZ-ZDUSSCGKSA-N 0 0 294.423 5.130 20 0 CKADRN C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1ccc(F)cc1 ZINC000562233733 327458294 /nfs/dbraw/zinc/45/82/94/327458294.db2.gz FATHFZUZSDSVHB-CQSZACIVSA-N 0 0 292.357 5.061 20 0 CKADRN Cc1ncsc1CSc1ccc(Cl)c(Cl)c1 ZINC000563573944 328074408 /nfs/dbraw/zinc/07/44/08/328074408.db2.gz UWOVQYHSFUNHPH-UHFFFAOYSA-N 0 0 290.240 5.051 20 0 CKADRN CC(C)(C)CCC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000564196192 333361810 /nfs/dbraw/zinc/36/18/10/333361810.db2.gz XQEQAHDLOCYRAE-UHFFFAOYSA-N 0 0 289.753 5.042 20 0 CKADRN FC(F)c1cccc(CSCc2ccc(Cl)cn2)c1 ZINC000564785358 334520744 /nfs/dbraw/zinc/52/07/44/334520744.db2.gz BFAIUQHZBDHFIW-UHFFFAOYSA-N 0 0 299.773 5.106 20 0 CKADRN O=C(CC1=CCCCC1)Nc1cccc(C(F)F)c1Cl ZINC000565069039 327446350 /nfs/dbraw/zinc/44/63/50/327446350.db2.gz ILWHJILXPSFTLW-UHFFFAOYSA-N 0 0 299.748 5.107 20 0 CKADRN Cc1cccc([C@H](C)C(=O)Nc2ccccc2C(C)(C)C)c1 ZINC000565682701 334587314 /nfs/dbraw/zinc/58/73/14/334587314.db2.gz IAORRNSCFUVFSP-HNNXBMFYSA-N 0 0 295.426 5.035 20 0 CKADRN CCSc1ccc(Cl)cc1N[C@@H](C)c1cccnc1 ZINC000565910477 334608372 /nfs/dbraw/zinc/60/83/72/334608372.db2.gz WBPVXWLMLBNZPX-NSHDSACASA-N 0 0 292.835 5.020 20 0 CKADRN C/C=C\c1ccc(N[C@H](C)c2csc(C(C)C)n2)cc1 ZINC000566027883 334617314 /nfs/dbraw/zinc/61/73/14/334617314.db2.gz MJYWCSSWYJLOMW-CFHLNLSMSA-N 0 0 286.444 5.473 20 0 CKADRN C/C=C\c1ccc(N[C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000566027885 334617297 /nfs/dbraw/zinc/61/72/97/334617297.db2.gz MJYWCSSWYJLOMW-SZZPACECSA-N 0 0 286.444 5.473 20 0 CKADRN C[C@H](Nc1ccc(Oc2cccnc2)cc1)c1ccccc1 ZINC000566879080 327485817 /nfs/dbraw/zinc/48/58/17/327485817.db2.gz AFRDRTDSDNNPDV-HNNXBMFYSA-N 0 0 290.366 5.047 20 0 CKADRN C[C@H](SCc1cccc(C(F)(F)F)c1)c1cccnc1 ZINC000567423119 334714997 /nfs/dbraw/zinc/71/49/97/334714997.db2.gz BQDGZFVBFGJQBR-NSHDSACASA-N 0 0 297.345 5.095 20 0 CKADRN C/C=C\c1ccc(N[C@@H](CCC)c2cccnc2)cc1 ZINC000568017332 334784628 /nfs/dbraw/zinc/78/46/28/334784628.db2.gz ICWBYBUNTVHLCN-CJISVDGZSA-N 0 0 266.388 5.068 20 0 CKADRN C/C=C/c1ccc(N[C@H](CCC)c2cccnc2)cc1 ZINC000568017333 334784581 /nfs/dbraw/zinc/78/45/81/334784581.db2.gz ICWBYBUNTVHLCN-HNSSHINMSA-N 0 0 266.388 5.068 20 0 CKADRN C/C=C\c1ccc(N[C@H](CCC)c2cccnc2)cc1 ZINC000568017335 326817106 /nfs/dbraw/zinc/81/71/06/326817106.db2.gz ICWBYBUNTVHLCN-VDNIUXDYSA-N 0 0 266.388 5.068 20 0 CKADRN Cc1ncsc1CNc1ccc(-c2ccccc2)cc1C ZINC000568339154 334816062 /nfs/dbraw/zinc/81/60/62/334816062.db2.gz XMYVJKKQDIDPQI-UHFFFAOYSA-N 0 0 294.423 5.039 20 0 CKADRN Cc1ccc(N[C@@H](C)c2nccc3ccccc32)c(C)c1 ZINC000568615711 334832618 /nfs/dbraw/zinc/83/26/18/334832618.db2.gz ZVOMGRMPASHUSO-HNNXBMFYSA-N 0 0 276.383 5.025 20 0 CKADRN Cc1ccc(N[C@H](C)c2nccc3ccccc32)c(C)c1 ZINC000568615712 334832535 /nfs/dbraw/zinc/83/25/35/334832535.db2.gz ZVOMGRMPASHUSO-OAHLLOKOSA-N 0 0 276.383 5.025 20 0 CKADRN C/C=C\c1ccc(NCc2ccc(SC)c(OC)c2)cc1 ZINC000569285207 334865356 /nfs/dbraw/zinc/86/53/56/334865356.db2.gz CRXQTFFLPNBZBR-PLNGDYQASA-N 0 0 299.439 5.062 20 0 CKADRN C/C=C/c1ccc(NCc2ccc(SC)c(OC)c2)cc1 ZINC000569285208 334865368 /nfs/dbraw/zinc/86/53/68/334865368.db2.gz CRXQTFFLPNBZBR-SNAWJCMRSA-N 0 0 299.439 5.062 20 0 CKADRN C[C@@H](SCc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000569524975 327192272 /nfs/dbraw/zinc/19/22/72/327192272.db2.gz OWJUDSAOJUBQLR-LLVKDONJSA-N 0 0 297.345 5.095 20 0 CKADRN C[C@H](SCc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC000569524976 327192391 /nfs/dbraw/zinc/19/23/91/327192391.db2.gz OWJUDSAOJUBQLR-NSHDSACASA-N 0 0 297.345 5.095 20 0 CKADRN C[C@@H](S[C@@H](C)c1ccccc1Cl)c1cccnc1 ZINC000570937663 327637591 /nfs/dbraw/zinc/63/75/91/327637591.db2.gz PZZOAHRYHKSUCL-NEPJUHHUSA-N 0 0 277.820 5.290 20 0 CKADRN Cc1ncc(CSCc2ccc(C(C)C)cc2)s1 ZINC000570995057 327973350 /nfs/dbraw/zinc/97/33/50/327973350.db2.gz AHBLAUSQKBBOCP-UHFFFAOYSA-N 0 0 277.458 5.008 20 0 CKADRN Cc1cccc(C(C)C)c1NC(=O)c1cccc(C2CC2)c1 ZINC000571104964 328085754 /nfs/dbraw/zinc/08/57/54/328085754.db2.gz YZUIPKRDOSMTPD-UHFFFAOYSA-N 0 0 293.410 5.248 20 0 CKADRN Cc1ccc(C)c(N[C@@H](C)c2nccc3ccccc32)c1 ZINC000571249331 328094395 /nfs/dbraw/zinc/09/43/95/328094395.db2.gz HXCMWFHDPNMYBA-HNNXBMFYSA-N 0 0 276.383 5.025 20 0 CKADRN Cc1ccc(C)c(N[C@H](C)c2nccc3ccccc32)c1 ZINC000571249332 328094358 /nfs/dbraw/zinc/09/43/58/328094358.db2.gz HXCMWFHDPNMYBA-OAHLLOKOSA-N 0 0 276.383 5.025 20 0 CKADRN Cc1oc(-c2ccccc2)nc1CSCCCCCF ZINC000571349583 328113754 /nfs/dbraw/zinc/11/37/54/328113754.db2.gz SVGWKHHHTIDQFO-UHFFFAOYSA-N 0 0 293.407 5.023 20 0 CKADRN Cc1oc(-c2cccs2)nc1CSCCCCCF ZINC000571509070 328129043 /nfs/dbraw/zinc/12/90/43/328129043.db2.gz UDTXAKSRRZFCLB-UHFFFAOYSA-N 0 0 299.436 5.085 20 0 CKADRN CCC(CC)N(CC)C(=O)Nc1c(C)cccc1C(C)C ZINC000572640329 327578468 /nfs/dbraw/zinc/57/84/68/327578468.db2.gz HRGGEMRKWMKUKY-UHFFFAOYSA-N 0 0 290.451 5.161 20 0 CKADRN C[C@H](Nc1cccc2ccccc21)c1nccc2ccccc21 ZINC000572829927 334881871 /nfs/dbraw/zinc/88/18/71/334881871.db2.gz YRXLYWWLQYRKRA-HNNXBMFYSA-N 0 0 298.389 5.561 20 0 CKADRN Cc1cccc(N(C)C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000573217451 334918958 /nfs/dbraw/zinc/91/89/58/334918958.db2.gz GHKWPLNLTNJQOG-UHFFFAOYSA-N 0 0 296.414 5.095 20 0 CKADRN C/C=C/c1ccc(NCc2cnc(-c3ccco3)s2)cc1 ZINC000573997545 334983788 /nfs/dbraw/zinc/98/37/88/334983788.db2.gz XNDJZLIBPJBHJS-DUXPYHPUSA-N 0 0 296.395 5.048 20 0 CKADRN C/C=C\c1ccc(NCc2cnc(-c3ccco3)s2)cc1 ZINC000573997546 334983658 /nfs/dbraw/zinc/98/36/58/334983658.db2.gz XNDJZLIBPJBHJS-RQOWECAXSA-N 0 0 296.395 5.048 20 0 CKADRN C/C=C\c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000574228775 335002854 /nfs/dbraw/zinc/00/28/54/335002854.db2.gz GCUMVVDSMLJKCJ-PYTPGESOSA-N 0 0 284.378 5.063 20 0 CKADRN C/C=C/c1ccc(N[C@@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000574228782 335002733 /nfs/dbraw/zinc/00/27/33/335002733.db2.gz GCUMVVDSMLJKCJ-SHCNBLLESA-N 0 0 284.378 5.063 20 0 CKADRN C/C=C/c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000574228783 335002777 /nfs/dbraw/zinc/00/27/77/335002777.db2.gz GCUMVVDSMLJKCJ-WRFKIARRSA-N 0 0 284.378 5.063 20 0 CKADRN C/C=C\c1ccc(N[C@H](c2ccc(F)cn2)C(C)C)cc1 ZINC000574228784 335002860 /nfs/dbraw/zinc/00/28/60/335002860.db2.gz GCUMVVDSMLJKCJ-XDXAGZTOSA-N 0 0 284.378 5.063 20 0 CKADRN c1ccc2c(CNc3cccc(C4CCC4)c3)ccnc2c1 ZINC000574335182 335011541 /nfs/dbraw/zinc/01/15/41/335011541.db2.gz IFFZQYKFQXNJCK-UHFFFAOYSA-N 0 0 288.394 5.114 20 0 CKADRN C[C@@H](SCc1cccc(C(F)F)c1)c1cccnc1 ZINC000574432385 335019188 /nfs/dbraw/zinc/01/91/88/335019188.db2.gz SCVSODYLOVFRHM-LLVKDONJSA-N 0 0 279.355 5.014 20 0 CKADRN C[C@H](SCc1cccc(C(F)F)c1)c1cccnc1 ZINC000574432386 335019206 /nfs/dbraw/zinc/01/92/06/335019206.db2.gz SCVSODYLOVFRHM-NSHDSACASA-N 0 0 279.355 5.014 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)C(C)(F)F ZINC000574817476 335049869 /nfs/dbraw/zinc/04/98/69/335049869.db2.gz NDCVQCJZWBNCIN-GFCCVEGCSA-N 0 0 297.389 5.163 20 0 CKADRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)C(C)(F)F ZINC000574817477 335049999 /nfs/dbraw/zinc/04/99/99/335049999.db2.gz NDCVQCJZWBNCIN-LBPRGKRZSA-N 0 0 297.389 5.163 20 0 CKADRN CC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccc(C)cc1 ZINC000575007792 330871558 /nfs/dbraw/zinc/87/15/58/330871558.db2.gz PJUQYJQBUOADNJ-ICSRJNTNSA-N 0 0 295.426 5.062 20 0 CKADRN CC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(C)cc1 ZINC000575007793 330871663 /nfs/dbraw/zinc/87/16/63/330871663.db2.gz PJUQYJQBUOADNJ-QUCCMNQESA-N 0 0 295.426 5.062 20 0 CKADRN CCc1cc(C)cc(CC)c1NC(=O)c1occc1C(C)C ZINC000575337132 335095557 /nfs/dbraw/zinc/09/55/57/335095557.db2.gz CCALFVISRQPKFO-UHFFFAOYSA-N 0 0 299.414 5.089 20 0 CKADRN CC[C@H](Sc1ccccc1OC)c1ccc(F)cc1F ZINC000575368126 335098367 /nfs/dbraw/zinc/09/83/67/335098367.db2.gz VDAKICZEYCPZFE-HNNXBMFYSA-N 0 0 294.366 5.217 20 0 CKADRN CC[C@@H](Sc1ccccc1OC)c1ccc(F)cc1F ZINC000575368127 335098180 /nfs/dbraw/zinc/09/81/80/335098180.db2.gz VDAKICZEYCPZFE-OAHLLOKOSA-N 0 0 294.366 5.217 20 0 CKADRN CC[C@@H](S[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000575899487 335129107 /nfs/dbraw/zinc/12/91/07/335129107.db2.gz ADUWNYWHWJKFEQ-BLLLJJGKSA-N 0 0 275.392 5.166 20 0 CKADRN CC[C@H](S[C@@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000575899488 335129097 /nfs/dbraw/zinc/12/90/97/335129097.db2.gz ADUWNYWHWJKFEQ-LRDDRELGSA-N 0 0 275.392 5.166 20 0 CKADRN CC[C@@H](S[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000575899489 335129177 /nfs/dbraw/zinc/12/91/77/335129177.db2.gz ADUWNYWHWJKFEQ-MLGOLLRUSA-N 0 0 275.392 5.166 20 0 CKADRN CC[C@H](S[C@H](C)c1cccnc1)c1ccc(F)cc1 ZINC000575899490 335129025 /nfs/dbraw/zinc/12/90/25/335129025.db2.gz ADUWNYWHWJKFEQ-WBMJQRKESA-N 0 0 275.392 5.166 20 0 CKADRN CC[C@@H](C)CCC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000576537114 335216924 /nfs/dbraw/zinc/21/69/24/335216924.db2.gz ODCFQGYYCAXWRX-SECBINFHSA-N 0 0 289.753 5.042 20 0 CKADRN CC[C@H](C)CCC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000576537115 327034659 /nfs/dbraw/zinc/03/46/59/327034659.db2.gz ODCFQGYYCAXWRX-VIFPVBQESA-N 0 0 289.753 5.042 20 0 CKADRN Fc1ccccc1-c1cnc(CSC2CCCCC2)o1 ZINC000577153936 335309794 /nfs/dbraw/zinc/30/97/94/335309794.db2.gz QXYDGWNROTWPPI-UHFFFAOYSA-N 0 0 291.391 5.047 20 0 CKADRN C[C@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1F ZINC000577431996 335351659 /nfs/dbraw/zinc/35/16/59/335351659.db2.gz IPNALKIMFHWEHY-AWEZNQCLSA-N 0 0 292.357 5.061 20 0 CKADRN C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1ccccc1F ZINC000577432001 335351666 /nfs/dbraw/zinc/35/16/66/335351666.db2.gz IPNALKIMFHWEHY-CQSZACIVSA-N 0 0 292.357 5.061 20 0 CKADRN C/C=C\c1ccc(NCc2nc3ccc(F)cc3s2)cc1 ZINC000577438544 335352306 /nfs/dbraw/zinc/35/23/06/335352306.db2.gz QBVDCQUKRHEKAG-IHWYPQMZSA-N 0 0 298.386 5.081 20 0 CKADRN C/C=C/c1ccc(NCc2nc3ccc(F)cc3s2)cc1 ZINC000577438545 335352120 /nfs/dbraw/zinc/35/21/20/335352120.db2.gz QBVDCQUKRHEKAG-NSCUHMNNSA-N 0 0 298.386 5.081 20 0 CKADRN C[C@@H](SCc1ccccc1C(F)(F)F)c1cccnc1 ZINC000577496714 335359496 /nfs/dbraw/zinc/35/94/96/335359496.db2.gz KIUGYRRGNXTWNL-LLVKDONJSA-N 0 0 297.345 5.095 20 0 CKADRN C[C@H](SCc1ccccc1C(F)(F)F)c1cccnc1 ZINC000577496716 335359509 /nfs/dbraw/zinc/35/95/09/335359509.db2.gz KIUGYRRGNXTWNL-NSHDSACASA-N 0 0 297.345 5.095 20 0 CKADRN c1ccc2c(CNc3ccc(C4CCC4)cc3)ccnc2c1 ZINC000578108384 335495067 /nfs/dbraw/zinc/49/50/67/335495067.db2.gz GCDFMMJTWIWDDR-UHFFFAOYSA-N 0 0 288.394 5.114 20 0 CKADRN CC(C)(CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000578526464 335645829 /nfs/dbraw/zinc/64/58/29/335645829.db2.gz BAQRPZOXYLZLBA-UHFFFAOYSA-N 0 0 293.410 5.118 20 0 CKADRN Cc1ncsc1CS[C@@H](C)c1cccc(Cl)c1 ZINC000578705351 335664737 /nfs/dbraw/zinc/66/47/37/335664737.db2.gz UCEQKFLLPXVWIF-JTQLQIEISA-N 0 0 283.849 5.099 20 0 CKADRN Cc1ncsc1CS[C@H](C)c1cccc(Cl)c1 ZINC000578705352 335664693 /nfs/dbraw/zinc/66/46/93/335664693.db2.gz UCEQKFLLPXVWIF-SNVBAGLBSA-N 0 0 283.849 5.099 20 0 CKADRN CCC(CC)CC(=O)Nc1cccc(C(F)F)c1Cl ZINC000578802346 335676596 /nfs/dbraw/zinc/67/65/96/335676596.db2.gz YKPXPZPBHQYYLU-UHFFFAOYSA-N 0 0 289.753 5.042 20 0 CKADRN C[C@@H](Nc1ccc(-c2ccccn2)cc1)c1cccc(F)c1 ZINC000579047957 335703999 /nfs/dbraw/zinc/70/39/99/335703999.db2.gz KFBQPJJYTAFLCC-CQSZACIVSA-N 0 0 292.357 5.061 20 0 CKADRN C[C@H](Nc1cccc2cc[nH]c21)c1cc2ccccc2o1 ZINC000579060198 335704702 /nfs/dbraw/zinc/70/47/02/335704702.db2.gz UBVFPOHQSYMQFR-LBPRGKRZSA-N 0 0 276.339 5.087 20 0 CKADRN C[C@H](SCCCCCF)c1ncc(-c2ccccc2)o1 ZINC000580224519 327740234 /nfs/dbraw/zinc/74/02/34/327740234.db2.gz PZOCXTWGERZNAD-ZDUSSCGKSA-N 0 0 293.407 5.276 20 0 CKADRN CCC[C@@H](C)CC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000580627399 335306290 /nfs/dbraw/zinc/30/62/90/335306290.db2.gz FHGREMRIJZXJSF-SECBINFHSA-N 0 0 289.753 5.042 20 0 CKADRN CCC[C@H](C)CC(=O)Nc1cc(C(F)F)ccc1Cl ZINC000580627400 335306174 /nfs/dbraw/zinc/30/61/74/335306174.db2.gz FHGREMRIJZXJSF-VIFPVBQESA-N 0 0 289.753 5.042 20 0 CKADRN CSc1ccc(CNc2cc(SC)ccc2C)s1 ZINC000580679957 335321182 /nfs/dbraw/zinc/32/11/82/335321182.db2.gz YECYRCDIIJMQCE-UHFFFAOYSA-N 0 0 295.498 5.112 20 0 CKADRN C/C=C\c1ccc(N[C@@H](C)c2nccc3ccccc32)cc1 ZINC000580921601 335983934 /nfs/dbraw/zinc/98/39/34/335983934.db2.gz SHYYDMXTBOOWAV-BYPUDFOVSA-N 0 0 288.394 5.441 20 0 CKADRN C/C=C/c1ccc(N[C@@H](C)c2nccc3ccccc32)cc1 ZINC000580921603 335984103 /nfs/dbraw/zinc/98/41/03/335984103.db2.gz SHYYDMXTBOOWAV-VFQAQYNWSA-N 0 0 288.394 5.441 20 0 CKADRN C/C=C/c1ccc(N[C@H](C)c2nccc3ccccc32)cc1 ZINC000580921604 335984066 /nfs/dbraw/zinc/98/40/66/335984066.db2.gz SHYYDMXTBOOWAV-YFCVBGDOSA-N 0 0 288.394 5.441 20 0 CKADRN C/C=C/c1ccc(NCc2cnc(C3CCC3)s2)cc1 ZINC000581571008 336104645 /nfs/dbraw/zinc/10/46/45/336104645.db2.gz VZIVBCPCGKWQKU-DUXPYHPUSA-N 0 0 284.428 5.056 20 0 CKADRN C/C=C\c1ccc(NCc2cnc(C3CCC3)s2)cc1 ZINC000581571009 336104816 /nfs/dbraw/zinc/10/48/16/336104816.db2.gz VZIVBCPCGKWQKU-RQOWECAXSA-N 0 0 284.428 5.056 20 0 CKADRN Cc1cnc([C@@H](C)S[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000582597239 329113810 /nfs/dbraw/zinc/11/38/10/329113810.db2.gz DWXJEOUYXPJLSS-NXEZZACHSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1cnc([C@H](C)S[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000582597240 329113772 /nfs/dbraw/zinc/11/37/72/329113772.db2.gz DWXJEOUYXPJLSS-UWVGGRQHSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1cnc([C@@H](C)S[C@@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000582597241 329113787 /nfs/dbraw/zinc/11/37/87/329113787.db2.gz DWXJEOUYXPJLSS-VHSXEESVSA-N 0 0 299.798 5.331 20 0 CKADRN Cc1cnc([C@H](C)S[C@H](C)c2ccc(F)c(Cl)c2)o1 ZINC000582597242 329113599 /nfs/dbraw/zinc/11/35/99/329113599.db2.gz DWXJEOUYXPJLSS-ZJUUUORDSA-N 0 0 299.798 5.331 20 0 CKADRN CCC[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000583098246 329315633 /nfs/dbraw/zinc/31/56/33/329315633.db2.gz IXTKPVDVQCNDRR-AZUAARDMSA-N 0 0 295.426 5.144 20 0 CKADRN CCC[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1ccccc1 ZINC000583098247 329315650 /nfs/dbraw/zinc/31/56/50/329315650.db2.gz IXTKPVDVQCNDRR-ICSRJNTNSA-N 0 0 295.426 5.144 20 0 CKADRN CCC[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000583098248 329315592 /nfs/dbraw/zinc/31/55/92/329315592.db2.gz IXTKPVDVQCNDRR-QUCCMNQESA-N 0 0 295.426 5.144 20 0 CKADRN CCC[C@@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccccc1 ZINC000583098250 329315717 /nfs/dbraw/zinc/31/57/17/329315717.db2.gz IXTKPVDVQCNDRR-UYAOXDASSA-N 0 0 295.426 5.144 20 0 CKADRN Cc1ccc2oc(CN[C@H](C)c3ccccc3Cl)cc2c1 ZINC000583291858 329436510 /nfs/dbraw/zinc/43/65/10/329436510.db2.gz JAKHZJFJDHVFES-CYBMUJFWSA-N 0 0 299.801 5.245 20 0 CKADRN CSc1ccc(CNc2cccc(C(F)F)c2)s1 ZINC000583410427 327349772 /nfs/dbraw/zinc/34/97/72/327349772.db2.gz NJVCHUJYZCXQRO-UHFFFAOYSA-N 0 0 285.384 5.020 20 0 CKADRN C[C@H](Nc1ccc(C(C)(C)C(F)(F)F)cc1)c1ccoc1 ZINC000583746050 329472070 /nfs/dbraw/zinc/47/20/70/329472070.db2.gz JRDBXRDXBKFIIP-NSHDSACASA-N 0 0 297.320 5.293 20 0 CKADRN C(CC1CCCCC1)c1nnc(SC2CCCCC2)o1 ZINC000584245827 327126800 /nfs/dbraw/zinc/12/68/00/327126800.db2.gz SMTFOYRKGDNDRB-UHFFFAOYSA-N 0 0 294.464 5.007 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H]2C[C@H](C)c3ccccc32)c1 ZINC000584255864 327155322 /nfs/dbraw/zinc/15/53/22/327155322.db2.gz ZOIDPBQEBSCKDW-IQUTYRLHSA-N 0 0 281.399 5.054 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H]2C[C@H](C)c3ccccc32)c1 ZINC000584255865 327155428 /nfs/dbraw/zinc/15/54/28/327155428.db2.gz ZOIDPBQEBSCKDW-KSMMKXTCSA-N 0 0 281.399 5.054 20 0 CKADRN CO[C@H](C)c1cccc(N[C@H]2C[C@@H](C)c3ccccc32)c1 ZINC000584255866 327155304 /nfs/dbraw/zinc/15/53/04/327155304.db2.gz ZOIDPBQEBSCKDW-LPMFXHHGSA-N 0 0 281.399 5.054 20 0 CKADRN CO[C@H](C)c1cccc(N[C@@H]2C[C@@H](C)c3ccccc32)c1 ZINC000584255867 327155305 /nfs/dbraw/zinc/15/53/05/327155305.db2.gz ZOIDPBQEBSCKDW-PJIJBLCYSA-N 0 0 281.399 5.054 20 0 CKADRN