smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCNC[C@H](O)COCc1cccs1)C1CC1 ZINC000160738349 350706539 /nfs/dbraw/zinc/70/65/39/350706539.db2.gz DSDHIWPWUZRYKQ-LBPRGKRZSA-N 0 3 298.408 0.741 20 70 CCIDHN COCCN(C)CCCNC(=O)NCc1ncccc1F ZINC000159637815 350683741 /nfs/dbraw/zinc/68/37/41/350683741.db2.gz AZNNMFSLKDUUKM-UHFFFAOYSA-N 0 3 298.362 0.988 20 70 CCIDHN COc1ccnc(C(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160261119 350698006 /nfs/dbraw/zinc/69/80/06/350698006.db2.gz JRSIVRDLFAGIFE-GFCCVEGCSA-N 0 3 293.367 0.667 20 70 CCIDHN CNC(=O)CC1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000161400213 350720305 /nfs/dbraw/zinc/72/03/05/350720305.db2.gz JWJOJIRXXDFMLN-GFCCVEGCSA-N 0 3 267.373 0.503 20 70 CCIDHN CC(C)(N)C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000161063359 188505851 /nfs/dbraw/zinc/50/58/51/188505851.db2.gz AIEJTFBFVXTVEG-UHFFFAOYSA-N 0 3 281.400 0.975 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000160182756 389382216 /nfs/dbraw/zinc/38/22/16/389382216.db2.gz HJFLLHQBMJPXOQ-UHFFFAOYSA-N 0 3 294.355 0.914 20 70 CCIDHN O=C(NCCCN1CCC(O)CC1)[C@@H]1CCCCO1 ZINC000160219497 389383537 /nfs/dbraw/zinc/38/35/37/389383537.db2.gz YDVFXWVHNQDZHS-ZDUSSCGKSA-N 0 3 270.373 0.519 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1n[nH]c2c1CCC2 ZINC000160692801 389396552 /nfs/dbraw/zinc/39/65/52/389396552.db2.gz LBXOHFNCIUUKHI-LLVKDONJSA-N 0 3 292.383 0.475 20 70 CCIDHN COc1ncccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160674309 389396900 /nfs/dbraw/zinc/39/69/00/389396900.db2.gz CRGVDQGADUGRPW-UHFFFAOYSA-N 0 3 293.367 0.524 20 70 CCIDHN CC(C)[C@@H](CO)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160649240 544700375 /nfs/dbraw/zinc/70/03/75/544700375.db2.gz YBPACTWBAMXURE-MCYUEQNJSA-N 0 3 284.400 0.652 20 70 CCIDHN CS(=O)(=O)[C@@H]1CCC[C@@H](NCCNC(=O)C2CC2)C1 ZINC000160745807 525235577 /nfs/dbraw/zinc/23/55/77/525235577.db2.gz ZLQDYJUEEQZDND-VXGBXAGGSA-N 0 3 288.413 0.458 20 70 CCIDHN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000161189243 527641655 /nfs/dbraw/zinc/64/16/55/527641655.db2.gz HMWZQZXLNPBVKO-YMTOWFKASA-N 0 3 282.363 0.786 20 70 CCIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000161189342 527644988 /nfs/dbraw/zinc/64/49/88/527644988.db2.gz HMWZQZXLNPBVKO-LKFCYVNXSA-N 0 3 282.363 0.786 20 70 CCIDHN CC[C@@H](CO)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160697846 350705235 /nfs/dbraw/zinc/70/52/35/350705235.db2.gz DLAPXMDTEZSLJF-RYUDHWBXSA-N 0 3 255.362 0.541 20 70 CCIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]1CO ZINC000160745461 350706477 /nfs/dbraw/zinc/70/64/77/350706477.db2.gz YPWZHGHGLCKESW-OLZOCXBDSA-N 0 3 267.373 0.637 20 70 CCIDHN COC(=O)Cn1cc(CCN(C)C[C@H]2CCC[C@@H]2O)nn1 ZINC000159566075 350681642 /nfs/dbraw/zinc/68/16/42/350681642.db2.gz IVHJIBGKQKABAG-YPMHNXCESA-N 0 3 296.371 0.086 20 70 CCIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(CO)o1 ZINC000159610751 350683082 /nfs/dbraw/zinc/68/30/82/350683082.db2.gz NEICJIROLOVCRV-UWVGGRQHSA-N 0 3 252.314 0.858 20 70 CCIDHN CCN(C)CCNC(=O)NCCCC(=O)OC(C)C ZINC000159589125 350683251 /nfs/dbraw/zinc/68/32/51/350683251.db2.gz IHOBCZOJJDNCNN-UHFFFAOYSA-N 0 3 273.377 0.969 20 70 CCIDHN COC(=O)c1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)c[nH]1 ZINC000159648841 350683750 /nfs/dbraw/zinc/68/37/50/350683750.db2.gz KIXXMCVQEDEGLM-MWLCHTKSSA-N 0 3 279.340 0.887 20 70 CCIDHN Cc1ncsc1C(=O)NCC1CCN(CCO)CC1 ZINC000160710148 188487895 /nfs/dbraw/zinc/48/78/95/188487895.db2.gz HOZQHVFRKHQJAV-UHFFFAOYSA-N 0 3 283.397 0.886 20 70 CCIDHN C[C@@H](N)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159708746 389371537 /nfs/dbraw/zinc/37/15/37/389371537.db2.gz SDFPFFSEEXRCSX-SECBINFHSA-N 0 3 267.304 0.409 20 70 CCIDHN CC[NH+](CC)CCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000159896504 389375753 /nfs/dbraw/zinc/37/57/53/389375753.db2.gz RHCBJVHYSITOTB-UHFFFAOYSA-N 0 3 294.399 0.777 20 70 CCIDHN NC[C@@H]1CCCN1C(=O)C(=O)NCCCc1ccccc1 ZINC000160145387 389380850 /nfs/dbraw/zinc/38/08/50/389380850.db2.gz NKSTWXQOPVUWPZ-AWEZNQCLSA-N 0 3 289.379 0.685 20 70 CCIDHN COCCNCC(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000160223630 389382990 /nfs/dbraw/zinc/38/29/90/389382990.db2.gz QUWMNLWIKVNJQP-VIFPVBQESA-N 0 3 269.345 0.575 20 70 CCIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@H]1CCCCN1 ZINC000160382730 389387390 /nfs/dbraw/zinc/38/73/90/389387390.db2.gz NGHKLFBHBZNHIN-GFCCVEGCSA-N 0 3 293.367 0.966 20 70 CCIDHN O=C(CCn1cccn1)NC[C@@H](O)CN1CCCCC1 ZINC000160420978 389388954 /nfs/dbraw/zinc/38/89/54/389388954.db2.gz PCHNXYUDLAGLRS-CYBMUJFWSA-N 0 3 280.372 0.236 20 70 CCIDHN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](N(C)C)C1 ZINC000160480234 389389974 /nfs/dbraw/zinc/38/99/74/389389974.db2.gz UTUURBXYOYLUBO-SNVBAGLBSA-N 0 3 294.355 0.646 20 70 CCIDHN O=C(CNC[C@H]1CCCO1)NCC[C@H](O)c1ccccc1 ZINC000160849144 389401083 /nfs/dbraw/zinc/40/10/83/389401083.db2.gz VPYIOEJMFNMYLS-CABCVRRESA-N 0 3 292.379 0.995 20 70 CCIDHN CCN(CCCN1C(=O)CNC1=O)Cc1cnn(C)c1 ZINC000161134092 389403931 /nfs/dbraw/zinc/40/39/31/389403931.db2.gz ZWGMPVLPIOWDNW-UHFFFAOYSA-N 0 3 279.344 0.184 20 70 CCIDHN COC[C@@H](N)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000159404520 389366671 /nfs/dbraw/zinc/36/66/71/389366671.db2.gz NLZCRGDWOPMRIY-CABCVRRESA-N 0 3 291.395 0.913 20 70 CCIDHN O=C(N[C@@H]1CCOC1)N1CC[C@H](N2CCCC2)C1 ZINC000159468522 544695001 /nfs/dbraw/zinc/69/50/01/544695001.db2.gz HRYXBRUDGZSCJQ-NEPJUHHUSA-N 0 3 253.346 0.655 20 70 CCIDHN CCSCC[C@@H](C)NC(=O)C(=O)N1CCCNCC1 ZINC000160648660 521712054 /nfs/dbraw/zinc/71/20/54/521712054.db2.gz IPVLFRPRRROVNF-LLVKDONJSA-N 0 3 287.429 0.456 20 70 CCIDHN O=C(C[C@@H]1COC(=O)C1)N1CC[C@H](N2CCCC2)C1 ZINC000161332179 527131097 /nfs/dbraw/zinc/13/10/97/527131097.db2.gz PHJUKLSPLQOIQY-RYUDHWBXSA-N 0 3 266.341 0.636 20 70 CCIDHN CCn1nnnc1-c1cccc(NC(=O)[C@@H](C)N)c1 ZINC000161127465 350713228 /nfs/dbraw/zinc/71/32/28/350713228.db2.gz OVDVAEAYRZWTNL-MRVPVSSYSA-N 0 3 260.301 0.646 20 70 CCIDHN CC(=O)NC[C@H]1CCCN(CCn2ccnc2)C1 ZINC000159780763 350688308 /nfs/dbraw/zinc/68/83/08/350688308.db2.gz OKDOOHUCQHRVJG-CYBMUJFWSA-N 0 3 250.346 0.731 20 70 CCIDHN CC[C@H](C)N(C)CCNC(=O)C(=O)Nc1nocc1C ZINC000161258790 350716914 /nfs/dbraw/zinc/71/69/14/350716914.db2.gz LELDQCCKJFJRST-JTQLQIEISA-N 0 3 282.344 0.768 20 70 CCIDHN CCC[C@H](C(=O)N1CCN(c2cnccn2)CC1)N(C)C ZINC000161428153 350720338 /nfs/dbraw/zinc/72/03/38/350720338.db2.gz ABXJGZPSFJRICW-CYBMUJFWSA-N 0 3 291.399 0.856 20 70 CCIDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H](N(C)C)C2)C[C@@H](C)O1 ZINC000217139446 351944769 /nfs/dbraw/zinc/94/47/69/351944769.db2.gz AHHUKXVFZGZFLD-MGPQQGTHSA-N 0 3 283.416 0.648 20 70 CCIDHN NCC(=O)NCCCC(=O)N1Cc2ccccc2C1 ZINC000159803092 389373558 /nfs/dbraw/zinc/37/35/58/389373558.db2.gz VUTPKFLSOYVNEO-UHFFFAOYSA-N 0 3 261.325 0.384 20 70 CCIDHN CCN1CCN(C(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160048167 389377694 /nfs/dbraw/zinc/37/76/94/389377694.db2.gz GXJUXACUQFVIHF-HEHGZKQESA-N 0 3 295.427 0.683 20 70 CCIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](N)CCSC ZINC000160800197 389400227 /nfs/dbraw/zinc/40/02/27/389400227.db2.gz MCUNEPQZUWMIJV-IUCAKERBSA-N 0 3 262.375 0.382 20 70 CCIDHN COCCOc1cccc(CC(=O)NCCN(C)C)c1 ZINC000160974373 389402683 /nfs/dbraw/zinc/40/26/83/389402683.db2.gz CYMFCVVFTKYFFK-UHFFFAOYSA-N 0 3 280.368 0.932 20 70 CCIDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccccc1C ZINC000218084939 411736947 /nfs/dbraw/zinc/73/69/47/411736947.db2.gz RAHDQWILBCWTKN-CYBMUJFWSA-N 0 3 280.368 0.803 20 70 CCIDHN CC1(OCC(=O)N(Cc2ccncc2)C2CC2)CNC1 ZINC000161117189 544703763 /nfs/dbraw/zinc/70/37/63/544703763.db2.gz RRHILQYWBNJVTC-UHFFFAOYSA-N 0 3 275.352 0.951 20 70 CCIDHN CCN(C)C(=O)CNC[C@@H](O)COCc1ccccc1F ZINC000218111384 329468103 /nfs/dbraw/zinc/46/81/03/329468103.db2.gz VWDQFVPMPCKCHP-CYBMUJFWSA-N 0 3 298.358 0.771 20 70 CCIDHN CCC[C@H](N)C(=O)NCc1ccccc1OCCO ZINC000161249985 521116668 /nfs/dbraw/zinc/11/66/68/521116668.db2.gz CECYXCJOKAJKIT-LBPRGKRZSA-N 0 3 266.341 0.801 20 70 CCIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@]1(F)CCNC1 ZINC000160386324 525781597 /nfs/dbraw/zinc/78/15/97/525781597.db2.gz WPDWNVUNWYVRNF-AWEZNQCLSA-N 0 3 297.330 0.526 20 70 CCIDHN CC[C@H](N)C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000160020071 290728079 /nfs/dbraw/zinc/72/80/79/290728079.db2.gz ZUGBQARHUVLCOK-JTQLQIEISA-N 0 3 285.294 0.548 20 70 CCIDHN O=C(NCCNC[C@@H](O)COCc1ccccc1)C1CC1 ZINC000160730661 290731677 /nfs/dbraw/zinc/73/16/77/290731677.db2.gz VHZKZXIEYXWOPX-OAHLLOKOSA-N 0 3 292.379 0.680 20 70 CCIDHN COCCN(C)CCNC(=O)c1ccnn1C(C)C ZINC000161174671 350715005 /nfs/dbraw/zinc/71/50/05/350715005.db2.gz JXCDPVNEQBXUSF-UHFFFAOYSA-N 0 3 268.361 0.772 20 70 CCIDHN CC1CCN(C[C@@H](O)CNC(=O)c2cccn2C)CC1 ZINC000159588086 350682687 /nfs/dbraw/zinc/68/26/87/350682687.db2.gz XXHUPZSAQYHHKA-ZDUSSCGKSA-N 0 3 279.384 0.848 20 70 CCIDHN COC[C@@H](C)NC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000159987548 350693513 /nfs/dbraw/zinc/69/35/13/350693513.db2.gz ABJBXVJQWURODN-NJBDSQKTSA-N 0 3 270.373 0.670 20 70 CCIDHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160442721 350700692 /nfs/dbraw/zinc/70/06/92/350700692.db2.gz WQDCUASEIPTOAX-VNHYZAJKSA-N 0 3 299.415 0.556 20 70 CCIDHN CCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)[nH]n1 ZINC000160397405 389387596 /nfs/dbraw/zinc/38/75/96/389387596.db2.gz KQHJCRAPPPUNKZ-LBPRGKRZSA-N 0 3 280.372 0.549 20 70 CCIDHN O=C(CCc1ccncc1)NC[C@@H](O)CN1CCCCC1 ZINC000160594613 389394931 /nfs/dbraw/zinc/39/49/31/389394931.db2.gz SVSHDUMNXCCIAR-OAHLLOKOSA-N 0 3 291.395 0.977 20 70 CCIDHN CCNC(=O)N1CCc2ccc(NC(=O)CNC)cc21 ZINC000160772651 389398557 /nfs/dbraw/zinc/39/85/57/389398557.db2.gz QIZLVKAUDLJSCE-UHFFFAOYSA-N 0 3 276.340 0.937 20 70 CCIDHN CCC(=O)N1CC[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC000160805028 389399530 /nfs/dbraw/zinc/39/95/30/389399530.db2.gz XGVSLYVOUAEQGN-QWRGUYRKSA-N 0 3 255.362 0.454 20 70 CCIDHN Cc1cc(C(=O)NC[C@@](C)(O)CN(C)C)c(C)nn1 ZINC000218162742 544814903 /nfs/dbraw/zinc/81/49/03/544814903.db2.gz LBDYXVPBMFMCCY-CYBMUJFWSA-N 0 3 266.345 0.136 20 70 CCIDHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160563839 277063747 /nfs/dbraw/zinc/06/37/47/277063747.db2.gz ITZBWQOCKVRQTB-VXGBXAGGSA-N 0 3 262.357 0.656 20 70 CCIDHN COc1ccc(NC(=O)[C@@]2(F)CCNC2)cc1N ZINC000161399932 524603205 /nfs/dbraw/zinc/60/32/05/524603205.db2.gz DJXDPGYBMOOPRB-GFCCVEGCSA-N 0 3 253.277 0.918 20 70 CCIDHN CSCC[C@@H](N)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161109416 525544725 /nfs/dbraw/zinc/54/47/25/525544725.db2.gz LIGDOKJYXBDPIY-DBIOUOCHSA-N 0 3 272.414 0.997 20 70 CCIDHN CSC[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160604667 525669858 /nfs/dbraw/zinc/66/98/58/525669858.db2.gz XSRXLRAYSNEMIF-NSHDSACASA-N 0 3 274.430 0.806 20 70 CCIDHN CC[C@H](N)C(=O)N(CC)[C@H](C)CS(C)(=O)=O ZINC000160000140 290727762 /nfs/dbraw/zinc/72/77/62/290727762.db2.gz QKPUXUKQBZNOCX-BDAKNGLRSA-N 0 3 250.364 0.005 20 70 CCIDHN C[C@@H](C(=O)NCCNC(=O)N(C)C)[C@H](N)c1ccccc1 ZINC000160852922 350707462 /nfs/dbraw/zinc/70/74/62/350707462.db2.gz RRRDPLMIHJOSSX-YPMHNXCESA-N 0 3 292.383 0.710 20 70 CCIDHN COc1ccc(C(=O)NC[C@H]2CCCN(C)C2)nn1 ZINC000159510743 350680644 /nfs/dbraw/zinc/68/06/44/350680644.db2.gz AOURORQYYRNBSA-SNVBAGLBSA-N 0 3 264.329 0.557 20 70 CCIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCNC(=O)C1 ZINC000159619610 350683238 /nfs/dbraw/zinc/68/32/38/350683238.db2.gz FCXZHHWAVLSXPT-RYUDHWBXSA-N 0 3 265.357 0.209 20 70 CCIDHN CC[C@H](C(=O)N[C@H]1CCc2nc(C)nn2C1)N(C)C ZINC000161350885 350719657 /nfs/dbraw/zinc/71/96/57/350719657.db2.gz PWGKHJIIIOXXPV-WDEREUQCSA-N 0 3 265.361 0.358 20 70 CCIDHN CCN1CCCN(C(=O)NCc2cnn(C)c2)CC1 ZINC000159738892 188439359 /nfs/dbraw/zinc/43/93/59/188439359.db2.gz FBZYISNUFNQBOD-UHFFFAOYSA-N 0 3 265.361 0.657 20 70 CCIDHN CC(C)N(CCc1nccs1)CCN1C(=O)CNC1=O ZINC000159804504 389373580 /nfs/dbraw/zinc/37/35/80/389373580.db2.gz BIMARWNEELESHT-UHFFFAOYSA-N 0 3 296.396 0.948 20 70 CCIDHN C[C@H](N)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000159949139 389377455 /nfs/dbraw/zinc/37/74/55/389377455.db2.gz LZFMFHBXZTZUHP-WCBMZHEXSA-N 0 3 265.288 0.394 20 70 CCIDHN COC[C@H](O)CNCc1cncc(Br)c1 ZINC000160579265 389393630 /nfs/dbraw/zinc/39/36/30/389393630.db2.gz XKUPSSDQUFFWIG-SNVBAGLBSA-N 0 3 275.146 0.941 20 70 CCIDHN 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ZINC000160849025 389401269 /nfs/dbraw/zinc/40/12/69/389401269.db2.gz VPYIOEJMFNMYLS-HUUCEWRRSA-N 0 3 292.379 0.995 20 70 CCIDHN O=C(NCCNC(=O)C1CC1)c1cccc2c1CCNC2 ZINC000160768065 544701791 /nfs/dbraw/zinc/70/17/91/544701791.db2.gz WCGNRXFDQCDOFO-UHFFFAOYSA-N 0 3 287.363 0.588 20 70 CCIDHN CNC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161398349 524067492 /nfs/dbraw/zinc/06/74/92/524067492.db2.gz IKTCTTSCTSGWIZ-LLVKDONJSA-N 0 3 277.372 0.540 20 70 CCIDHN O=C(CN1CCCC1)N1CCN(CCOCC2CC2)CC1 ZINC000160516515 526731773 /nfs/dbraw/zinc/73/17/73/526731773.db2.gz OUPBCAUJZWBNHY-UHFFFAOYSA-N 0 3 295.427 0.653 20 70 CCIDHN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC000159470230 350679496 /nfs/dbraw/zinc/67/94/96/350679496.db2.gz ZFEOKFDQEXZSGE-GHMZBOCLSA-N 0 3 270.377 0.247 20 70 CCIDHN CCN1CCCN(C(=O)NCCNC(=O)C(C)C)CC1 ZINC000159541300 350680368 /nfs/dbraw/zinc/68/03/68/350680368.db2.gz XNGRXFIICHEJMV-UHFFFAOYSA-N 0 3 284.404 0.496 20 70 CCIDHN CCn1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cn1 ZINC000159544881 350680927 /nfs/dbraw/zinc/68/09/27/350680927.db2.gz AUTYUQKSZYJXQC-JQWIXIFHSA-N 0 3 250.346 0.989 20 70 CCIDHN CCN1CCCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000159577863 350682126 /nfs/dbraw/zinc/68/21/26/350682126.db2.gz OGHQKIIJVGZIAW-UHFFFAOYSA-N 0 3 282.388 0.346 20 70 CCIDHN CO[C@@]1(CNCC(=O)NC2CCCCC2)CCOC1 ZINC000160323148 350698639 /nfs/dbraw/zinc/69/86/39/350698639.db2.gz VTHHMUWVLQKCCH-CQSZACIVSA-N 0 3 270.373 0.830 20 70 CCIDHN CCOC(=O)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160434033 350701059 /nfs/dbraw/zinc/70/10/59/350701059.db2.gz DZIHRPZHZQUDPP-IFUGULHKSA-N 0 3 298.383 0.588 20 70 CCIDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1nocc1C ZINC000161246101 350717087 /nfs/dbraw/zinc/71/70/87/350717087.db2.gz VJQRDJVNPKYANV-JTQLQIEISA-N 0 3 280.328 0.522 20 70 CCIDHN Cc1cccc(C(=O)NCC2CCN(CCO)CC2)n1 ZINC000160551479 188479943 /nfs/dbraw/zinc/47/99/43/188479943.db2.gz KFNNGBYUUINTIN-UHFFFAOYSA-N 0 3 277.368 0.824 20 70 CCIDHN C[C@H]1CN(CCCN2CCCCC2)CCS1(=O)=O ZINC000161180078 389404126 /nfs/dbraw/zinc/40/41/26/389404126.db2.gz RITTWZDZHUIOGG-ZDUSSCGKSA-N 0 3 274.430 0.981 20 70 CCIDHN COC[C@H](NC(=O)Nc1cnn(CCN(C)C)c1)C1CC1 ZINC000160692595 544699869 /nfs/dbraw/zinc/69/98/69/544699869.db2.gz HTZKHBDDBNRBPB-ZDUSSCGKSA-N 0 3 295.387 0.991 20 70 CCIDHN C[C@@H](c1ccncc1)N(C)C(=O)COC1(C)CNC1 ZINC000161127300 544704258 /nfs/dbraw/zinc/70/42/58/544704258.db2.gz LNGXEUBMWHBJAI-NSHDSACASA-N 0 3 263.341 0.980 20 70 CCIDHN C[C@H](Cn1cncn1)NCc1ccc(N(C)C)nc1 ZINC000161233458 544705208 /nfs/dbraw/zinc/70/52/08/544705208.db2.gz IEKRJQNJPGPAKW-LLVKDONJSA-N 0 3 260.345 0.917 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H](O)c1ccccc1 ZINC000160676780 303784847 /nfs/dbraw/zinc/78/48/47/303784847.db2.gz LNAQAPITJFAWMR-CABCVRRESA-N 0 3 292.379 0.683 20 70 CCIDHN CCN(C)C(=O)CNC[C@@H](O)COCc1ccccc1 ZINC000218102304 329468203 /nfs/dbraw/zinc/46/82/03/329468203.db2.gz DQHPCXMHUQNQPH-CQSZACIVSA-N 0 3 280.368 0.632 20 70 CCIDHN CCC[C@H](N)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160995947 521119246 /nfs/dbraw/zinc/11/92/46/521119246.db2.gz CTUQMNHQBWPWEG-PWSUYJOCSA-N 0 3 288.355 0.967 20 70 CCIDHN COC(CN1CC[C@H](Cc2cnn(C)c2)C1)OC ZINC000161366818 522534655 /nfs/dbraw/zinc/53/46/55/522534655.db2.gz AXKCPKNBBHCAPF-LLVKDONJSA-N 0 3 253.346 0.903 20 70 CCIDHN CN(C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CCOC1 ZINC000160688518 350705268 /nfs/dbraw/zinc/70/52/68/350705268.db2.gz XNUBNUWEOPMJPA-QWHCGFSZSA-N 0 3 267.373 0.901 20 70 CCIDHN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H](C)N)c1 ZINC000160962268 350709438 /nfs/dbraw/zinc/70/94/38/350709438.db2.gz AGHHQZYCFJGYOH-ZWNOBZJWSA-N 0 3 266.341 0.971 20 70 CCIDHN CC[C@H](N)C(=O)Nc1nnc(CCC(=O)OC)s1 ZINC000161060973 350711059 /nfs/dbraw/zinc/71/10/59/350711059.db2.gz NWDOPOVVYCQAFG-LURJTMIESA-N 0 3 272.330 0.320 20 70 CCIDHN CCC(CC)(CN)C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000161237391 350716997 /nfs/dbraw/zinc/71/69/97/350716997.db2.gz YGJJQDFPYQNQTE-WDEREUQCSA-N 0 3 290.429 0.786 20 70 CCIDHN CC[C@H](C(=O)N1CCC[C@@H](CCC(N)=O)C1)N(C)C 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O=C(Cc1ccc(O)cc1)NC[C@@H](O)CN1CCCCC1 ZINC000159937162 389376452 /nfs/dbraw/zinc/37/64/52/389376452.db2.gz KVCGGRUINLWHRF-OAHLLOKOSA-N 0 3 292.379 0.898 20 70 CCIDHN Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cn1 ZINC000160027476 389377772 /nfs/dbraw/zinc/37/77/72/389377772.db2.gz GDYGFFUJPPVSEI-AWEZNQCLSA-N 0 3 277.368 0.967 20 70 CCIDHN C[C@@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000160029578 389378137 /nfs/dbraw/zinc/37/81/37/389378137.db2.gz JUPNTFVIWCAQQE-SECBINFHSA-N 0 3 297.380 0.173 20 70 CCIDHN COc1cc(CNC[C@](C)(O)CO)cc2c1OCO2 ZINC000159907003 544696328 /nfs/dbraw/zinc/69/63/28/544696328.db2.gz HPZYXNNQEGJSNK-ZDUSSCGKSA-N 0 3 269.297 0.257 20 70 CCIDHN COc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1N ZINC000161250319 544705655 /nfs/dbraw/zinc/70/56/55/544705655.db2.gz GLKUKHCTWDNMML-SNVBAGLBSA-N 0 3 265.313 0.594 20 70 CCIDHN C[C@H](O)CN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159578068 290078761 /nfs/dbraw/zinc/07/87/61/290078761.db2.gz NWIMABAVSITKPS-DTWKUNHWSA-N 0 3 268.279 0.852 20 70 CCIDHN C[C@H](O)CCN(C)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160873997 525720777 /nfs/dbraw/zinc/72/07/77/525720777.db2.gz NRIGJTOLOTVANM-OZTPJHRESA-N 0 3 284.400 0.748 20 70 CCIDHN O=C(C[C@H]1COC(=O)C1)N1CC[C@H](N2CCCC2)C1 ZINC000161331896 527177825 /nfs/dbraw/zinc/17/78/25/527177825.db2.gz PHJUKLSPLQOIQY-NEPJUHHUSA-N 0 3 266.341 0.636 20 70 CCIDHN CC[C@H](CO)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160697757 350705194 /nfs/dbraw/zinc/70/51/94/350705194.db2.gz DLAPXMDTEZSLJF-VXGBXAGGSA-N 0 3 255.362 0.541 20 70 CCIDHN CC[C@@H](C)N(C)CCNC(=O)C(=O)Nc1nocc1C ZINC000161258695 350716566 /nfs/dbraw/zinc/71/65/66/350716566.db2.gz LELDQCCKJFJRST-SNVBAGLBSA-N 0 3 282.344 0.768 20 70 CCIDHN CCC[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)C ZINC000161186130 350714571 /nfs/dbraw/zinc/71/45/71/350714571.db2.gz NHGVTPZWWZJTJZ-ZDUSSCGKSA-N 0 3 291.399 0.856 20 70 CCIDHN Cc1cc(CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)no1 ZINC000159405208 350677330 /nfs/dbraw/zinc/67/73/30/350677330.db2.gz HGAUJAFRVCQFIA-CQSZACIVSA-N 0 3 292.383 0.897 20 70 CCIDHN CN(C)C[C@](C)(O)CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC000159474111 350679701 /nfs/dbraw/zinc/67/97/01/350679701.db2.gz FUCVUFVIERXPKC-MRXNPFEDSA-N 0 3 291.395 0.721 20 70 CCIDHN NCC(=O)NCc1cccc(COC2CCOCC2)c1 ZINC000159537435 350680579 /nfs/dbraw/zinc/68/05/79/350680579.db2.gz WETCKZKTJVWFGG-UHFFFAOYSA-N 0 3 278.352 0.957 20 70 CCIDHN CCC[C@H](N)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000159924011 350692117 /nfs/dbraw/zinc/69/21/17/350692117.db2.gz POCXZSAYMGDNTG-IUCAKERBSA-N 0 3 250.364 0.005 20 70 CCIDHN CSCC[C@@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000160039960 350693986 /nfs/dbraw/zinc/69/39/86/350693986.db2.gz XSABTZFTZBHRPT-NXEZZACHSA-N 0 3 273.402 0.192 20 70 CCIDHN COc1ccnc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160260981 350697709 /nfs/dbraw/zinc/69/77/09/350697709.db2.gz JRSIVRDLFAGIFE-LBPRGKRZSA-N 0 3 293.367 0.667 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000161265465 350717403 /nfs/dbraw/zinc/71/74/03/350717403.db2.gz UJQSWLRRJQVARZ-SECBINFHSA-N 0 3 280.328 0.520 20 70 CCIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](C)N ZINC000161446439 350721128 /nfs/dbraw/zinc/72/11/28/350721128.db2.gz LTZKVTTZRYWXTO-SECBINFHSA-N 0 3 253.302 0.171 20 70 CCIDHN CC[C@H](N)C(=O)Nc1nnc(CCCC(=O)OC)s1 ZINC000161213793 188515752 /nfs/dbraw/zinc/51/57/52/188515752.db2.gz ANKPNILPIXUDNI-ZETCQYMHSA-N 0 3 286.357 0.710 20 70 CCIDHN CSCC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159613914 295604482 /nfs/dbraw/zinc/60/44/82/295604482.db2.gz KDJKQGOCKHYRCU-AXFHLTTASA-N 0 3 257.403 0.420 20 70 CCIDHN CC1(C)[C@H](NC(=O)C[C@@H]2CNCCO2)[C@H]2CCO[C@@H]21 ZINC000159545260 389368734 /nfs/dbraw/zinc/36/87/34/389368734.db2.gz MAKIQPXHGMTQIJ-WFFHOREQSA-N 0 3 268.357 0.295 20 70 CCIDHN CCN(CC)CC(=O)N1CCN(CCn2ccnc2)CC1 ZINC000159809471 389374093 /nfs/dbraw/zinc/37/40/93/389374093.db2.gz UZDGKYYWQZRHSS-UHFFFAOYSA-N 0 3 293.415 0.369 20 70 CCIDHN CCN1CCN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000160047899 389377863 /nfs/dbraw/zinc/37/78/63/389377863.db2.gz 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ZINC000161452536 389406040 /nfs/dbraw/zinc/40/60/40/389406040.db2.gz JFFNHKFJKAVFTR-UHFFFAOYSA-N 0 3 258.362 0.498 20 70 CCIDHN CC(C)NC(=O)CCNCc1cccc(C(N)=O)c1 ZINC000159380709 389365661 /nfs/dbraw/zinc/36/56/61/389365661.db2.gz RPEQTSYODBRVCQ-UHFFFAOYSA-N 0 3 263.341 0.790 20 70 CCIDHN CNCC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000161311201 277264426 /nfs/dbraw/zinc/26/44/26/277264426.db2.gz MYAULMPSSVPQAN-ZYHUDNBSSA-N 0 3 261.325 0.516 20 70 CCIDHN CC(C)NC(=O)CNC1CCN(CC(F)F)CC1 ZINC000160947194 290733085 /nfs/dbraw/zinc/73/30/85/290733085.db2.gz MKSSTNLKSPGZTA-UHFFFAOYSA-N 0 3 263.332 0.830 20 70 CCIDHN CC(C)(CCS(C)(=O)=O)NC(=O)CNCC1CC1 ZINC000161035734 350711261 /nfs/dbraw/zinc/71/12/61/350711261.db2.gz CGNXDZKWLVLXOE-UHFFFAOYSA-N 0 3 276.402 0.316 20 70 CCIDHN CNCC(=O)NC[C@H](C)Oc1ccccc1OC ZINC000161154984 350714373 /nfs/dbraw/zinc/71/43/73/350714373.db2.gz YGYGHKVJCWDZKH-JTQLQIEISA-N 0 3 252.314 0.798 20 70 CCIDHN COC[C@H](N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000159486783 350679389 /nfs/dbraw/zinc/67/93/89/350679389.db2.gz WHBBKVXWZFZSDE-GJZGRUSLSA-N 0 3 291.395 0.741 20 70 CCIDHN Cc1nn(C)cc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159514947 350680730 /nfs/dbraw/zinc/68/07/30/350680730.db2.gz XGEIGXZFHUNQAE-ONGXEEELSA-N 0 3 250.346 0.814 20 70 CCIDHN CCN1CCCN(C(=O)NCCCOCCOC)CC1 ZINC000159817658 350689629 /nfs/dbraw/zinc/68/96/29/350689629.db2.gz BXZOTDQWIWCYBQ-UHFFFAOYSA-N 0 3 287.404 0.777 20 70 CCIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000161293504 350717475 /nfs/dbraw/zinc/71/74/75/350717475.db2.gz PQZJMOLQQCMWEF-MFKMUULPSA-N 0 3 290.367 0.639 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000161265604 350717511 /nfs/dbraw/zinc/71/75/11/350717511.db2.gz UJQSWLRRJQVARZ-VIFPVBQESA-N 0 3 280.328 0.520 20 70 CCIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)NC1CC1 ZINC000161340680 350718965 /nfs/dbraw/zinc/71/89/65/350718965.db2.gz AMRQXXPMTYWOTM-VIFPVBQESA-N 0 3 297.380 0.721 20 70 CCIDHN C[C@H](N)C(=O)NCCCNC(=O)c1ccc(F)cc1 ZINC000159708310 389371754 /nfs/dbraw/zinc/37/17/54/389371754.db2.gz SDFPFFSEEXRCSX-VIFPVBQESA-N 0 3 267.304 0.409 20 70 CCIDHN COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](C)N ZINC000159705463 389371978 /nfs/dbraw/zinc/37/19/78/389371978.db2.gz KBRWIVFNNDODBI-JTQLQIEISA-N 0 3 280.324 0.738 20 70 CCIDHN CCN(C(=O)[C@@H](C)N)[C@H]1CCN(c2ccccc2)C1=O ZINC000159771046 389372460 /nfs/dbraw/zinc/37/24/60/389372460.db2.gz PAOOWUXZMKXJEI-YPMHNXCESA-N 0 3 275.352 0.988 20 70 CCIDHN COC(=O)COc1cccc(CNC(=O)[C@@H](C)N)c1 ZINC000160109647 389379794 /nfs/dbraw/zinc/37/97/94/389379794.db2.gz CAVHGKJZHYELTO-SECBINFHSA-N 0 3 266.297 0.202 20 70 CCIDHN CCC[C@@](C)(O)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160200631 389382569 /nfs/dbraw/zinc/38/25/69/389382569.db2.gz AUQLBRGEKUAICA-GXTWGEPZSA-N 0 3 272.389 0.501 20 70 CCIDHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000160563993 389393848 /nfs/dbraw/zinc/39/38/48/389393848.db2.gz ITZBWQOCKVRQTB-NEPJUHHUSA-N 0 3 262.357 0.656 20 70 CCIDHN COC(=O)NCc1ccc(NC(=O)[C@H](C)N)cc1 ZINC000160956360 389403299 /nfs/dbraw/zinc/40/32/99/389403299.db2.gz BFXFXIGWWQKGGZ-QMMMGPOBSA-N 0 3 251.286 0.828 20 70 CCIDHN CO[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H](C[NH3+])C1 ZINC000161077962 544703989 /nfs/dbraw/zinc/70/39/89/544703989.db2.gz BJEGTYLMFBGZJK-WDEREUQCSA-N 0 3 264.325 0.971 20 70 CCIDHN N[C@H](C(=O)NCCc1nnc[nH]1)c1cccc(Cl)c1 ZINC000161344949 544705049 /nfs/dbraw/zinc/70/50/49/544705049.db2.gz TYRHFIDEZCEUCF-NSHDSACASA-N 0 3 279.731 0.817 20 70 CCIDHN N[C@H](C(=O)NCCc1nc[nH]n1)c1cccc(Cl)c1 ZINC000161344949 544705052 /nfs/dbraw/zinc/70/50/52/544705052.db2.gz TYRHFIDEZCEUCF-NSHDSACASA-N 0 3 279.731 0.817 20 70 CCIDHN CC(=O)N1CCN(C(=O)CN2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000160549733 519570278 /nfs/dbraw/zinc/57/02/78/519570278.db2.gz XCGDYMGQKNFNMY-GJZGRUSLSA-N 0 3 293.411 0.942 20 70 CCIDHN O=C(CCc1ccncc1)NCC1CCN(CCO)CC1 ZINC000160543466 526626457 /nfs/dbraw/zinc/62/64/57/526626457.db2.gz HSZACXDOJVIXAK-UHFFFAOYSA-N 0 3 291.395 0.835 20 70 CCIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cnn(C)c1)CC2 ZINC000160431241 282127349 /nfs/dbraw/zinc/12/73/49/282127349.db2.gz HYZGFIUBYVUFLW-BXKDBHETSA-N 0 3 260.345 0.986 20 70 CCIDHN COCCN(CCOC)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160614065 350703674 /nfs/dbraw/zinc/70/36/74/350703674.db2.gz UUMUWUIEUYBJNN-AWEZNQCLSA-N 0 3 299.415 0.775 20 70 CCIDHN CN(C)C(=O)NCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000160858381 350708511 /nfs/dbraw/zinc/70/85/11/350708511.db2.gz RPXPPBHGYFNHIK-GFCCVEGCSA-N 0 3 278.356 0.464 20 70 CCIDHN CN(C)CCNC(=O)CCCNC(=O)c1cccnc1 ZINC000160975790 350709340 /nfs/dbraw/zinc/70/93/40/350709340.db2.gz PSUKSVBUEVQKAF-UHFFFAOYSA-N 0 3 278.356 0.269 20 70 CCIDHN C[C@@H](N)C(=O)N[C@H](C)c1nnnn1-c1ccccc1 ZINC000160994492 350709907 /nfs/dbraw/zinc/70/99/07/350709907.db2.gz LJDCRYJEDBAKGW-RKDXNWHRSA-N 0 3 260.301 0.187 20 70 CCIDHN CNCC(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000161155108 350714072 /nfs/dbraw/zinc/71/40/72/350714072.db2.gz YGYGHKVJCWDZKH-SNVBAGLBSA-N 0 3 252.314 0.798 20 70 CCIDHN COC[C@@H](N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000159486911 350680119 /nfs/dbraw/zinc/68/01/19/350680119.db2.gz WHBBKVXWZFZSDE-LSDHHAIUSA-N 0 3 291.395 0.741 20 70 CCIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc2cnccn12 ZINC000159547217 350680508 /nfs/dbraw/zinc/68/05/08/350680508.db2.gz ZVWCAIIQRUPDSD-GHMZBOCLSA-N 0 3 273.340 0.815 20 70 CCIDHN COC(=O)CCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159616869 350682897 /nfs/dbraw/zinc/68/28/97/350682897.db2.gz SFEGNHPRCADLNK-RYUDHWBXSA-N 0 3 268.357 0.930 20 70 CCIDHN CN(C)CCN(C)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159794254 350688523 /nfs/dbraw/zinc/68/85/23/350688523.db2.gz JDXVHBIAGYUPQP-LBPRGKRZSA-N 0 3 295.387 0.945 20 70 CCIDHN C[C@@H]1CN(C(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)CCO1 ZINC000159973343 350693131 /nfs/dbraw/zinc/69/31/31/350693131.db2.gz DNFVBGNAFMEJSK-MCYUEQNJSA-N 0 3 282.384 0.766 20 70 CCIDHN CNC(=O)c1cccc(CCNC(=O)[C@@H]2CCCCN2)c1 ZINC000161417029 188526487 /nfs/dbraw/zinc/52/64/87/188526487.db2.gz RLFSKZFDEJWLIQ-AWEZNQCLSA-N 0 3 289.379 0.847 20 70 CCIDHN COCCN(C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159477387 389367397 /nfs/dbraw/zinc/36/73/97/389367397.db2.gz MFIBCHKNWPVGGI-UHFFFAOYSA-N 0 3 269.345 0.429 20 70 CCIDHN COC(=O)CCCc1nnc(NC(=O)C2(N)CC2)s1 ZINC000159735120 389372564 /nfs/dbraw/zinc/37/25/64/389372564.db2.gz VLFGYCMJRMBVHW-UHFFFAOYSA-N 0 3 284.341 0.464 20 70 CCIDHN CCN(C)CCNC(=O)NCc1cccc(N(C)C)n1 ZINC000160133401 389381106 /nfs/dbraw/zinc/38/11/06/389381106.db2.gz QZKPWYDTHWMOGH-UHFFFAOYSA-N 0 3 279.388 0.899 20 70 CCIDHN CCSCCN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000160308979 389385363 /nfs/dbraw/zinc/38/53/63/389385363.db2.gz KSMCEYHVDVBJGM-JTQLQIEISA-N 0 3 281.447 0.245 20 70 CCIDHN O=C(CCn1cccn1)NC[C@H](O)CN1CCCCC1 ZINC000160420844 389389097 /nfs/dbraw/zinc/38/90/97/389389097.db2.gz PCHNXYUDLAGLRS-ZDUSSCGKSA-N 0 3 280.372 0.236 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)C1CC=CC1 ZINC000160532474 389392112 /nfs/dbraw/zinc/39/21/12/389392112.db2.gz SRXFRHFQDOBDBB-CYBMUJFWSA-N 0 3 252.358 0.916 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)C1(O)CCCC1 ZINC000160653421 389395690 /nfs/dbraw/zinc/39/56/90/389395690.db2.gz LMSQOMNIIHFOPD-GFCCVEGCSA-N 0 3 270.373 0.255 20 70 CCIDHN CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H](C)N)c1 ZINC000160961885 389403138 /nfs/dbraw/zinc/40/31/38/389403138.db2.gz AGHHQZYCFJGYOH-GXFFZTMASA-N 0 3 266.341 0.971 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000161250078 544704795 /nfs/dbraw/zinc/70/47/95/544704795.db2.gz NIINWCIBCVDPRQ-SNVBAGLBSA-N 0 3 280.328 0.378 20 70 CCIDHN O=C(NCCCOC[C@H]1CCOC1)[C@@]1(F)CCNC1 ZINC000160588573 527687460 /nfs/dbraw/zinc/68/74/60/527687460.db2.gz RCBJKDBUYUDAKP-DGCLKSJQSA-N 0 3 274.336 0.247 20 70 CCIDHN CN(C)C(=O)NCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000160853817 350706978 /nfs/dbraw/zinc/70/69/78/350706978.db2.gz OSZOZEPLJSVUTM-ZDUSSCGKSA-N 0 3 290.367 0.261 20 70 CCIDHN CCN1CCCN(C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000159864345 350690181 /nfs/dbraw/zinc/69/01/81/350690181.db2.gz FVCUTJRENNQAPY-CYBMUJFWSA-N 0 3 296.415 0.733 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)C1(O)CCCCC1 ZINC000160266072 350698033 /nfs/dbraw/zinc/69/80/33/350698033.db2.gz BCMNKASWGBSDHT-CYBMUJFWSA-N 0 3 284.400 0.645 20 70 CCIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)c2cnn(C)c2)C1 ZINC000161389615 350719768 /nfs/dbraw/zinc/71/97/68/350719768.db2.gz SVSUTQARLYKJKG-PWSUYJOCSA-N 0 3 278.356 0.448 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000160179632 389382715 /nfs/dbraw/zinc/38/27/15/389382715.db2.gz CRALOTRRNKCHQF-JTQLQIEISA-N 0 3 294.355 0.770 20 70 CCIDHN C[C@H](O)CCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160588417 389393439 /nfs/dbraw/zinc/39/34/39/389393439.db2.gz ABQIVKJBYHCPPK-BBGACYKPSA-N 0 3 270.373 0.406 20 70 CCIDHN Cc1cc(C(=O)NCC2CCN(CCO)CC2)on1 ZINC000160576119 389393595 /nfs/dbraw/zinc/39/35/95/389393595.db2.gz CECJLFDKRWNFEB-UHFFFAOYSA-N 0 3 267.329 0.417 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NCCN(C)C(C)C ZINC000161261780 389405439 /nfs/dbraw/zinc/40/54/39/389405439.db2.gz IFLKTTBBZGPCSA-UHFFFAOYSA-N 0 3 268.317 0.378 20 70 CCIDHN CCN(CCCS(=O)(=O)NC)CCc1nccs1 ZINC000159430181 389366493 /nfs/dbraw/zinc/36/64/93/389366493.db2.gz SDJFJRSPCRTWKH-UHFFFAOYSA-N 0 3 291.442 0.947 20 70 CCIDHN CC[C@@](C)(O)CN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000160823456 544702375 /nfs/dbraw/zinc/70/23/75/544702375.db2.gz GKPXTNPUQIATOA-WDEREUQCSA-N 0 3 264.391 0.161 20 70 CCIDHN CCNC(=O)CCN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161397530 521735399 /nfs/dbraw/zinc/73/53/99/521735399.db2.gz RFKUYRGWEACVFX-GFCCVEGCSA-N 0 3 291.399 0.930 20 70 CCIDHN C[C@H](N)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160993591 524821687 /nfs/dbraw/zinc/82/16/87/524821687.db2.gz LJDCRYJEDBAKGW-IUCAKERBSA-N 0 3 260.301 0.187 20 70 CCIDHN Cc1nc(C(=O)NCCN2CCCCCC2)c(=O)[nH]c1C ZINC000159869661 290727664 /nfs/dbraw/zinc/72/76/64/290727664.db2.gz ZKAHHLJVNCWIOR-UHFFFAOYSA-N 0 3 292.383 0.993 20 70 CCIDHN O=C(NCCNC[C@@H](O)COc1ccccc1F)C1CC1 ZINC000160742164 350706169 /nfs/dbraw/zinc/70/61/69/350706169.db2.gz MFCYPXMJKPZZNN-GFCCVEGCSA-N 0 3 296.342 0.681 20 70 CCIDHN C[C@@H](N)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160994370 350709913 /nfs/dbraw/zinc/70/99/13/350709913.db2.gz LJDCRYJEDBAKGW-BDAKNGLRSA-N 0 3 260.301 0.187 20 70 CCIDHN CSCC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161105981 350713143 /nfs/dbraw/zinc/71/31/43/350713143.db2.gz LIGDOKJYXBDPIY-MMWGEVLESA-N 0 3 272.414 0.997 20 70 CCIDHN CN1CCC[C@@H](CNC(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000159451898 350678517 /nfs/dbraw/zinc/67/85/17/350678517.db2.gz HEWQHJATBSZRPU-NWDGAFQWSA-N 0 3 282.388 0.248 20 70 CCIDHN CCN1CCCN(C(=O)N[C@@H](C)CO[C@@H]2CCOC2)CC1 ZINC000159961650 350693303 /nfs/dbraw/zinc/69/33/03/350693303.db2.gz BBTHFTGXQJGOCJ-UONOGXRCSA-N 0 3 299.415 0.918 20 70 CCIDHN C[C@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)N1CCCCCC1 ZINC000161438767 350721206 /nfs/dbraw/zinc/72/12/06/350721206.db2.gz LSFCRVBVMZCDGP-FRRDWIJNSA-N 0 3 297.399 0.400 20 70 CCIDHN CCOC[C@H](O)CN1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000217183539 351945382 /nfs/dbraw/zinc/94/53/82/351945382.db2.gz NCOZXHLHGLHUHR-UONOGXRCSA-N 0 3 286.416 0.868 20 70 CCIDHN Cc1cccc(C(=O)NC[C@H](O)CN2CCCCC2)n1 ZINC000160067248 188453121 /nfs/dbraw/zinc/45/31/21/188453121.db2.gz OKIUPXUFJRSVMG-ZDUSSCGKSA-N 0 3 277.368 0.967 20 70 CCIDHN COC(=O)Cn1cc(CCN2CCS[C@H](C)C2)nn1 ZINC000159841627 389375077 /nfs/dbraw/zinc/37/50/77/389375077.db2.gz QLKCHXZSZBZWJP-SNVBAGLBSA-N 0 3 284.385 0.431 20 70 CCIDHN CN(C)c1cccc(CN(C)CCC(=O)NC(N)=O)c1 ZINC000159833604 389375131 /nfs/dbraw/zinc/37/51/31/389375131.db2.gz NHFKOWDULKBTGY-UHFFFAOYSA-N 0 3 278.356 0.769 20 70 CCIDHN COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN)cc1 ZINC000160277922 389384379 /nfs/dbraw/zinc/38/43/79/389384379.db2.gz YFBGEBMVHJMZHK-LLVKDONJSA-N 0 3 277.324 0.583 20 70 CCIDHN CS[C@H](C)C(=O)NCC1CCN(CCO)CC1 ZINC000160665333 389396464 /nfs/dbraw/zinc/39/64/64/389396464.db2.gz IPHPJRBHCBDDLD-SNVBAGLBSA-N 0 3 260.403 0.558 20 70 CCIDHN CCC(=O)N1CC[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC000160805127 389399825 /nfs/dbraw/zinc/39/98/25/389399825.db2.gz XGVSLYVOUAEQGN-WDEREUQCSA-N 0 3 255.362 0.454 20 70 CCIDHN COCCN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000160992965 389402881 /nfs/dbraw/zinc/40/28/81/389402881.db2.gz FCYPYOXEPNSPOL-OAHLLOKOSA-N 0 3 299.415 0.654 20 70 CCIDHN COC(CN1CCC[C@@H]1CN1CCOCC1)OC ZINC000161286382 292079078 /nfs/dbraw/zinc/07/90/78/292079078.db2.gz CGFSJNFAMJQQIC-GFCCVEGCSA-N 0 3 258.362 0.402 20 70 CCIDHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(CC(=O)NC)CC1 ZINC000160350609 397418339 /nfs/dbraw/zinc/41/83/39/397418339.db2.gz BAKUQAQFSMWTIE-MFKMUULPSA-N 0 3 269.389 0.735 20 70 CCIDHN CNCC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000161310948 277264731 /nfs/dbraw/zinc/26/47/31/277264731.db2.gz MYAULMPSSVPQAN-PWSUYJOCSA-N 0 3 261.325 0.516 20 70 CCIDHN CCN(CC)CC(=O)N1CCN(CCOCC2CC2)CC1 ZINC000160580013 520573930 /nfs/dbraw/zinc/57/39/30/520573930.db2.gz BVXVTOZNAUIGTO-UHFFFAOYSA-N 0 3 297.443 0.899 20 70 CCIDHN CSCC[C@@H](N)C(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000161109540 525546243 /nfs/dbraw/zinc/54/62/43/525546243.db2.gz LIGDOKJYXBDPIY-ZNSHCXBVSA-N 0 3 272.414 0.997 20 70 CCIDHN Cc1conc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000160981539 526296415 /nfs/dbraw/zinc/29/64/15/526296415.db2.gz XKQHXLAKMYJCAZ-LLVKDONJSA-N 0 3 292.339 0.618 20 70 CCIDHN O=C(CN1CCCC1)N1CCN(CCn2ccnc2)CC1 ZINC000159806703 290726970 /nfs/dbraw/zinc/72/69/70/290726970.db2.gz YSUKNTZTOJUUKM-UHFFFAOYSA-N 0 3 291.399 0.123 20 70 CCIDHN CCN1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160643478 350704195 /nfs/dbraw/zinc/70/41/95/350704195.db2.gz AGGPPFSGBWKLES-AWEZNQCLSA-N 0 3 280.416 0.818 20 70 CCIDHN CC(C)(O)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160645376 350704215 /nfs/dbraw/zinc/70/42/15/350704215.db2.gz DCUQKMBWLQJQIU-LLVKDONJSA-N 0 3 255.362 0.541 20 70 CCIDHN NC1(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC000160670706 350705058 /nfs/dbraw/zinc/70/50/58/350705058.db2.gz NLDKJEQWNBFHID-UHFFFAOYSA-N 0 3 289.335 0.410 20 70 CCIDHN CCCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)[nH]n1 ZINC000160696769 350705270 /nfs/dbraw/zinc/70/52/70/350705270.db2.gz XXFZBHNKLPEUAV-ZDUSSCGKSA-N 0 3 294.399 0.939 20 70 CCIDHN C[C@H](C(=O)NCCNC(=O)N(C)C)[C@@H](N)c1ccccc1 ZINC000160853031 350706879 /nfs/dbraw/zinc/70/68/79/350706879.db2.gz RRRDPLMIHJOSSX-WCQYABFASA-N 0 3 292.383 0.710 20 70 CCIDHN CN(C)C(=O)NCCNC(=O)C[C@H](N)c1ccccc1 ZINC000160858253 350706897 /nfs/dbraw/zinc/70/68/97/350706897.db2.gz RPXPPBHGYFNHIK-LBPRGKRZSA-N 0 3 278.356 0.464 20 70 CCIDHN C[C@@H](C(=O)NCCNC(=O)N(C)C)[C@@H](N)c1ccccc1 ZINC000160853163 350707615 /nfs/dbraw/zinc/70/76/15/350707615.db2.gz RRRDPLMIHJOSSX-DGCLKSJQSA-N 0 3 292.383 0.710 20 70 CCIDHN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@@H](C)N)cc1 ZINC000160975237 350709430 /nfs/dbraw/zinc/70/94/30/350709430.db2.gz QAFBCLBTBFVZPV-MFKMUULPSA-N 0 3 266.341 0.971 20 70 CCIDHN CCN1CCCN(C(=O)N[C@H](C)CN2CCOCC2)CC1 ZINC000159630001 350684231 /nfs/dbraw/zinc/68/42/31/350684231.db2.gz OFROGICYARUGEQ-CQSZACIVSA-N 0 3 298.431 0.444 20 70 CCIDHN CCN1CCCN(C(=O)NCc2nc(C)no2)CC1 ZINC000159806385 350689469 /nfs/dbraw/zinc/68/94/69/350689469.db2.gz QGTBCUXYFBJMKL-UHFFFAOYSA-N 0 3 267.333 0.615 20 70 CCIDHN O=C(C[C@@H]1CSCCN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159902132 350691351 /nfs/dbraw/zinc/69/13/51/350691351.db2.gz UNOGJKHTFAVJTQ-GRYCIOLGSA-N 0 3 269.414 0.434 20 70 CCIDHN CCC[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000161232823 350716920 /nfs/dbraw/zinc/71/69/20/350716920.db2.gz HAIZTYNPXTWDSK-MNOVXSKESA-N 0 3 255.362 0.441 20 70 CCIDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1nocc1C ZINC000161263748 350717724 /nfs/dbraw/zinc/71/77/24/350717724.db2.gz GENCPUUZCNBDRQ-LLVKDONJSA-N 0 3 294.355 0.912 20 70 CCIDHN C[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000160028882 389377666 /nfs/dbraw/zinc/37/76/66/389377666.db2.gz JUPNTFVIWCAQQE-VIFPVBQESA-N 0 3 297.380 0.173 20 70 CCIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCn1ccnc1 ZINC000160367602 389387590 /nfs/dbraw/zinc/38/75/90/389387590.db2.gz QGDYRHUQFLNMCB-JMSVASOKSA-N 0 3 292.383 0.532 20 70 CCIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)Cc1ccccc1 ZINC000160800945 389400038 /nfs/dbraw/zinc/40/00/38/389400038.db2.gz JPTQHUSFJQJBDG-WCQYABFASA-N 0 3 278.352 0.872 20 70 CCIDHN C[C@@H](C(=O)N(C)C)N1CCN(c2ccncc2)CC1 ZINC000161395644 544704867 /nfs/dbraw/zinc/70/48/67/544704867.db2.gz IMBCDOHTXDDIPQ-LBPRGKRZSA-N 0 3 262.357 0.680 20 70 CCIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc2cnccn12 ZINC000159546961 274314000 /nfs/dbraw/zinc/31/40/00/274314000.db2.gz ZVWCAIIQRUPDSD-MNOVXSKESA-N 0 3 273.340 0.815 20 70 CCIDHN COC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161403268 523071894 /nfs/dbraw/zinc/07/18/94/523071894.db2.gz OZLUYVRWTQMKDI-NSHDSACASA-N 0 3 278.356 0.967 20 70 CCIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@@]1(F)CCNC1 ZINC000160386451 525782229 /nfs/dbraw/zinc/78/22/29/525782229.db2.gz WPDWNVUNWYVRNF-CQSZACIVSA-N 0 3 297.330 0.526 20 70 CCIDHN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000161189135 527645376 /nfs/dbraw/zinc/64/53/76/527645376.db2.gz HMWZQZXLNPBVKO-XPTSAGLGSA-N 0 3 282.363 0.786 20 70 CCIDHN CC[C@H](C(=O)NCCC(=O)Nc1cccnc1)N(C)C ZINC000160031950 350693908 /nfs/dbraw/zinc/69/39/08/350693908.db2.gz LPANYGZZSVZHGA-GFCCVEGCSA-N 0 3 278.356 0.867 20 70 CCIDHN CCC[C@H](N)C(=O)NCCc1cccc(C(=O)NC)c1 ZINC000161418812 350720275 /nfs/dbraw/zinc/72/02/75/350720275.db2.gz LDKIHZJZNXKZPA-ZDUSSCGKSA-N 0 3 277.368 0.832 20 70 CCIDHN NC(=O)NC(=O)CCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161431250 350720343 /nfs/dbraw/zinc/72/03/43/350720343.db2.gz ZUCNDTMWGSRLBV-VIFPVBQESA-N 0 3 297.277 0.207 20 70 CCIDHN Cc1ccoc1C(=O)NCCCNC(=O)[C@H](N)C(C)C ZINC000161447827 350721322 /nfs/dbraw/zinc/72/13/22/350721322.db2.gz UGTDKYCTZZMPPE-LLVKDONJSA-N 0 3 281.356 0.807 20 70 CCIDHN CCC[C@](C)(O)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160200497 389382161 /nfs/dbraw/zinc/38/21/61/389382161.db2.gz AUQLBRGEKUAICA-JSGCOSHPSA-N 0 3 272.389 0.501 20 70 CCIDHN CCOC(=O)CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000160226444 389383511 /nfs/dbraw/zinc/38/35/11/389383511.db2.gz INUKOTGELGJLTR-NURSFMCSSA-N 0 3 284.356 0.198 20 70 CCIDHN CCN(CC)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160381987 389387556 /nfs/dbraw/zinc/38/75/56/389387556.db2.gz LMOKAKAOQCFDNJ-UHFFFAOYSA-N 0 3 282.319 0.617 20 70 CCIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000160623737 389394852 /nfs/dbraw/zinc/39/48/52/389394852.db2.gz PDHJSHSEPYPJBZ-BLXSCJOCSA-N 0 3 296.411 0.796 20 70 CCIDHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000159395599 389365788 /nfs/dbraw/zinc/36/57/88/389365788.db2.gz TXGYCIYTKVPNQF-PSASIEDQSA-N 0 3 281.743 0.909 20 70 CCIDHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160184938 544697247 /nfs/dbraw/zinc/69/72/47/544697247.db2.gz MIVJAHZAIFETJB-WOPDTQHZSA-N 0 3 267.373 0.487 20 70 CCIDHN Cc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)on1 ZINC000160127759 280349205 /nfs/dbraw/zinc/34/92/05/280349205.db2.gz NORGLCGEVPSMMQ-LLVKDONJSA-N 0 3 267.329 0.560 20 70 CCIDHN CCNC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161397406 521735567 /nfs/dbraw/zinc/73/55/67/521735567.db2.gz RFKUYRGWEACVFX-LBPRGKRZSA-N 0 3 291.399 0.930 20 70 CCIDHN CC[C@H](N)C(=O)N1CCC(OCCCOC)CC1 ZINC000161240885 290734541 /nfs/dbraw/zinc/73/45/41/290734541.db2.gz BSTHVTULIWQKGC-LBPRGKRZSA-N 0 3 258.362 0.768 20 70 CCIDHN C[C@H](CCO)NC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160768169 350706046 /nfs/dbraw/zinc/70/60/46/350706046.db2.gz ATLCYFGAPMORLM-ZYHUDNBSSA-N 0 3 255.362 0.541 20 70 CCIDHN C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160774439 350706226 /nfs/dbraw/zinc/70/62/26/350706226.db2.gz HRACZROBYFAMQI-JQWIXIFHSA-N 0 3 280.372 0.001 20 70 CCIDHN CN1CCC(NC(=O)N2CCC[C@](C)(O)C2)CC1 ZINC000159826833 350689244 /nfs/dbraw/zinc/68/92/44/350689244.db2.gz UDQMUVFXIQVYML-ZDUSSCGKSA-N 0 3 255.362 0.637 20 70 CCIDHN C[C@H](N)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000160141973 350696264 /nfs/dbraw/zinc/69/62/64/350696264.db2.gz ZRQWTQLQAHVCAI-JQWIXIFHSA-N 0 3 261.325 0.645 20 70 CCIDHN COC(=O)CCCc1nnc(NC(=O)[C@@H](C)N)s1 ZINC000161213272 350716098 /nfs/dbraw/zinc/71/60/98/350716098.db2.gz NQENVQVOFIRJTP-ZCFIWIBFSA-N 0 3 272.330 0.320 20 70 CCIDHN CC[C@@H](C(=O)N[C@@H]1CCc2nc(C)nn2C1)N(C)C ZINC000161350528 350719311 /nfs/dbraw/zinc/71/93/11/350719311.db2.gz PWGKHJIIIOXXPV-MNOVXSKESA-N 0 3 265.361 0.358 20 70 CCIDHN CSCC[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000160040175 389377994 /nfs/dbraw/zinc/37/79/94/389377994.db2.gz XSABTZFTZBHRPT-VHSXEESVSA-N 0 3 273.402 0.192 20 70 CCIDHN CC[C@@H](C(=O)NCCCc1cnn(C)c1)N(C)C ZINC000160935020 389403274 /nfs/dbraw/zinc/40/32/74/389403274.db2.gz QPTLFVJFZGYCDG-LBPRGKRZSA-N 0 3 252.362 0.809 20 70 CCIDHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccccc1 ZINC000161390180 389406090 /nfs/dbraw/zinc/40/60/90/389406090.db2.gz WPEGLIRPNVXWGR-UHFFFAOYSA-N 0 3 298.408 0.669 20 70 CCIDHN C[C@]1(CNC(=O)[C@]2(F)CCNC2)CCCC[C@H]1O ZINC000160846613 280156615 /nfs/dbraw/zinc/15/66/15/280156615.db2.gz DQVLVGFMZABNHZ-RTXFEEFZSA-N 0 3 258.337 0.745 20 70 CCIDHN CCCN1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC000160363824 519851940 /nfs/dbraw/zinc/85/19/40/519851940.db2.gz AYHKZLBJIOEEJE-UHFFFAOYSA-N 0 3 250.346 0.978 20 70 CCIDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160995827 520719723 /nfs/dbraw/zinc/71/97/23/520719723.db2.gz CTUQMNHQBWPWEG-CMPLNLGQSA-N 0 3 288.355 0.967 20 70 CCIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](N)CCSC ZINC000160803020 521002924 /nfs/dbraw/zinc/00/29/24/521002924.db2.gz MCUNEPQZUWMIJV-DTWKUNHWSA-N 0 3 262.375 0.382 20 70 CCIDHN COC(CN1CC[C@@H](Cc2cnn(C)c2)C1)OC ZINC000161366716 522534603 /nfs/dbraw/zinc/53/46/03/522534603.db2.gz AXKCPKNBBHCAPF-NSHDSACASA-N 0 3 253.346 0.903 20 70 CCIDHN O=C(NCCCOC[C@@H]1CCOC1)[C@]1(F)CCNC1 ZINC000160588196 527687035 /nfs/dbraw/zinc/68/70/35/527687035.db2.gz RCBJKDBUYUDAKP-AAEUAGOBSA-N 0 3 274.336 0.247 20 70 CCIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCn2cnnc2C1 ZINC000160747120 350706004 /nfs/dbraw/zinc/70/60/04/350706004.db2.gz IPFPKQAQVNRLEP-GFCCVEGCSA-N 0 3 290.371 0.288 20 70 CCIDHN CCOC(=O)[C@@H]1CCCN(C(=O)COC2(C)CNC2)C1 ZINC000161094446 350711847 /nfs/dbraw/zinc/71/18/47/350711847.db2.gz PJOPXUXDMRVNGW-LLVKDONJSA-N 0 3 284.356 0.167 20 70 CCIDHN CNS(=O)(=O)c1cccc([C@H](C)NCCO)c1 ZINC000159700822 350685156 /nfs/dbraw/zinc/68/51/56/350685156.db2.gz JVMZATZWSSAVGH-VIFPVBQESA-N 0 3 258.343 0.238 20 70 CCIDHN CCN1CCCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000159952506 350691985 /nfs/dbraw/zinc/69/19/85/350691985.db2.gz HLKXNNYZVIHSGJ-LBPRGKRZSA-N 0 3 294.399 0.487 20 70 CCIDHN CSCC[C@@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000160039894 350693893 /nfs/dbraw/zinc/69/38/93/350693893.db2.gz XSABTZFTZBHRPT-ZJUUUORDSA-N 0 3 273.402 0.192 20 70 CCIDHN CCN1CCCN(C(=O)NCc2noc(C)n2)CC1 ZINC000159907878 389375833 /nfs/dbraw/zinc/37/58/33/389375833.db2.gz SQGXXDAIKXAZPL-UHFFFAOYSA-N 0 3 267.333 0.615 20 70 CCIDHN COc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)nn1 ZINC000160036206 389377917 /nfs/dbraw/zinc/37/79/17/389377917.db2.gz GOXAVGIFLZLRJJ-NSHDSACASA-N 0 3 294.355 0.062 20 70 CCIDHN CSCC[C@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000160040088 389378342 /nfs/dbraw/zinc/37/83/42/389378342.db2.gz XSABTZFTZBHRPT-UWVGGRQHSA-N 0 3 273.402 0.192 20 70 CCIDHN CCC[C@@](C)(O)C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160200894 389383743 /nfs/dbraw/zinc/38/37/43/389383743.db2.gz AUQLBRGEKUAICA-TZMCWYRMSA-N 0 3 272.389 0.501 20 70 CCIDHN C[C@@]1(C(=O)NC[C@H](O)CN2CCCCC2)CCCO1 ZINC000160534942 389392135 /nfs/dbraw/zinc/39/21/35/389392135.db2.gz HEYNIVUFUJQUCO-JSGCOSHPSA-N 0 3 270.373 0.519 20 70 CCIDHN O=C(NCC1CCN(CCO)CC1)c1ccoc1 ZINC000160649090 389395196 /nfs/dbraw/zinc/39/51/96/389395196.db2.gz KPFURUDJDDRMGQ-UHFFFAOYSA-N 0 3 252.314 0.714 20 70 CCIDHN CN1CCN(CCCNC(=O)[C@@H]2CCCCO2)CC1 ZINC000161174273 389403880 /nfs/dbraw/zinc/40/38/80/389403880.db2.gz TXFHXHUITJFTQD-ZDUSSCGKSA-N 0 3 269.389 0.309 20 70 CCIDHN O=C(CC1(N2CCOCC2)CCCC1)NC1(CO)CC1 ZINC000160204874 544698791 /nfs/dbraw/zinc/69/87/91/544698791.db2.gz BBMTUGJDURQGGT-UHFFFAOYSA-N 0 3 282.384 0.663 20 70 CCIDHN C[C@H](c1ccncc1)N(C)C(=O)COC1(C)CNC1 ZINC000161127414 544704059 /nfs/dbraw/zinc/70/40/59/544704059.db2.gz LNGXEUBMWHBJAI-LLVKDONJSA-N 0 3 263.341 0.980 20 70 CCIDHN C[C@@H](C(=O)NC1CC1)N1CCN(c2ccncc2)CC1 ZINC000161329940 544706173 /nfs/dbraw/zinc/70/61/73/544706173.db2.gz MLQYPSQMZGSQCA-LBPRGKRZSA-N 0 3 274.368 0.871 20 70 CCIDHN CC(C)[C@H](N)C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000161221087 280272820 /nfs/dbraw/zinc/27/28/20/280272820.db2.gz GTUFXJIFSOFDOM-AEJSXWLSSA-N 0 3 262.375 0.004 20 70 CCIDHN CNC(=O)CCN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161398235 524067545 /nfs/dbraw/zinc/06/75/45/524067545.db2.gz IKTCTTSCTSGWIZ-NSHDSACASA-N 0 3 277.372 0.540 20 70 CCIDHN O=C(COc1ccccc1)NCC1CCN(CCO)CC1 ZINC000160686660 526984304 /nfs/dbraw/zinc/98/43/04/526984304.db2.gz QQLVZCCIIBMASF-UHFFFAOYSA-N 0 3 292.379 0.886 20 70 CCIDHN CC(C)Oc1ccc([C@@H](O)CNC(=O)[C@H](C)N)cc1 ZINC000160974236 350709120 /nfs/dbraw/zinc/70/91/20/350709120.db2.gz QAFBCLBTBFVZPV-GWCFXTLKSA-N 0 3 266.341 0.971 20 70 CCIDHN N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159871660 350691393 /nfs/dbraw/zinc/69/13/93/350691393.db2.gz SCZVJUIKCQTSTL-ZNMIVQPWSA-N 0 3 273.380 0.909 20 70 CCIDHN COCCN(C)CCNC(=O)c1cnc2c(c1)ncn2C ZINC000160334230 350699131 /nfs/dbraw/zinc/69/91/31/350699131.db2.gz ZRKCJXSTAQBPIV-UHFFFAOYSA-N 0 3 291.355 0.276 20 70 CCIDHN CC(C)c1cc(C(=O)NCC2CCN(CCO)CC2)[nH]n1 ZINC000160612232 188483376 /nfs/dbraw/zinc/48/33/76/188483376.db2.gz ODOCQECBPVRBBG-UHFFFAOYSA-N 0 3 294.399 0.967 20 70 CCIDHN CC(C)[C@H](N)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000160992940 188501614 /nfs/dbraw/zinc/50/16/14/188501614.db2.gz BOZWNITZGPWACA-JTQLQIEISA-N 0 3 260.301 0.584 20 70 CCIDHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H]1CCCN1C ZINC000160033362 389378469 /nfs/dbraw/zinc/37/84/69/389378469.db2.gz KYPVWTTVKNXSDC-AVGNSLFASA-N 0 3 269.389 0.883 20 70 CCIDHN CC(C)(C)C(=O)Cn1cc(C(=O)N2CCC[C@H]2CN)nn1 ZINC000160330995 389386919 /nfs/dbraw/zinc/38/69/19/389386919.db2.gz CQJIYRLEAHIDAZ-JTQLQIEISA-N 0 3 293.371 0.457 20 70 CCIDHN Cc1cncc(C(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000160432920 389389247 /nfs/dbraw/zinc/38/92/47/389389247.db2.gz GJRMTUKHVVLBPQ-AWEZNQCLSA-N 0 3 277.368 0.967 20 70 CCIDHN O=C(NCC1CCN(CCO)CC1)c1cscn1 ZINC000160589230 389393792 /nfs/dbraw/zinc/39/37/92/389393792.db2.gz DTNPXLQTUPXINB-UHFFFAOYSA-N 0 3 269.370 0.577 20 70 CCIDHN O=C(NC[C@@H](O)CN1CCCCC1)c1ccoc1 ZINC000160694754 389396288 /nfs/dbraw/zinc/39/62/88/389396288.db2.gz XLRCPCOTCHSLNL-GFCCVEGCSA-N 0 3 252.314 0.856 20 70 CCIDHN Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000160907073 389402049 /nfs/dbraw/zinc/40/20/49/389402049.db2.gz MJSXFAASNKZEHR-JTQLQIEISA-N 0 3 297.380 0.915 20 70 CCIDHN Cc1cccc(NC(=O)NCC(=O)N2CCCNCC2)c1 ZINC000160874278 389402193 /nfs/dbraw/zinc/40/21/93/389402193.db2.gz ZRMBVBFPCUSMFX-UHFFFAOYSA-N 0 3 290.367 0.938 20 70 CCIDHN COC(=O)C(C)(C)CNC(=O)[C@H](C(C)C)N(C)C ZINC000159451614 389366447 /nfs/dbraw/zinc/36/64/47/389366447.db2.gz HBYOZVRRRNJSNR-JTQLQIEISA-N 0 3 258.362 0.888 20 70 CCIDHN O=C1NCCN1C1CCN(CCOCC2CC2)CC1 ZINC000159415832 389366568 /nfs/dbraw/zinc/36/65/68/389366568.db2.gz RMOLWGCCLMKZLF-UHFFFAOYSA-N 0 3 267.373 0.903 20 70 CCIDHN CC(C)[C@@H](C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)N(C)C ZINC000159409705 544695061 /nfs/dbraw/zinc/69/50/61/544695061.db2.gz MVVOQBMTVHAHSA-MCIONIFRSA-N 0 3 284.400 0.979 20 70 CCIDHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000160217356 544697087 /nfs/dbraw/zinc/69/70/87/544697087.db2.gz MIVJAHZAIFETJB-SRVKXCTJSA-N 0 3 267.373 0.487 20 70 CCIDHN CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160203904 544697555 /nfs/dbraw/zinc/69/75/55/544697555.db2.gz NNKUXJMJJQNTAT-HOSYDEDBSA-N 0 3 267.373 0.487 20 70 CCIDHN CCN(C)C(=O)CNC[C@@H](O)COc1ccccc1 ZINC000218113877 329468166 /nfs/dbraw/zinc/46/81/66/329468166.db2.gz MJDHZJSVQMAEDT-GFCCVEGCSA-N 0 3 266.341 0.494 20 70 CCIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccc(C)cc1 ZINC000218224470 329468783 /nfs/dbraw/zinc/46/87/83/329468783.db2.gz AHWPNDRWDBEWEW-ZDUSSCGKSA-N 0 3 280.368 0.803 20 70 CCIDHN CCCN1CCCN(C(=O)[C@H]2CCCN(C(N)=O)C2)CC1 ZINC000160361096 519850150 /nfs/dbraw/zinc/85/01/50/519850150.db2.gz CRNKENJGRUZYNH-ZDUSSCGKSA-N 0 3 296.415 0.721 20 70 CCIDHN CN(C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CCOC1 ZINC000160688645 350705265 /nfs/dbraw/zinc/70/52/65/350705265.db2.gz XNUBNUWEOPMJPA-STQMWFEESA-N 0 3 267.373 0.901 20 70 CCIDHN CN1CCC(NC(=O)NOCc2cccnc2)CC1 ZINC000161002452 350710314 /nfs/dbraw/zinc/71/03/14/350710314.db2.gz GIVPJOSHGYEKAC-UHFFFAOYSA-N 0 3 264.329 0.907 20 70 CCIDHN CCOC(=O)COCCN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000160439188 350701178 /nfs/dbraw/zinc/70/11/78/350701178.db2.gz OXHGRHQBOYRDPZ-VXGBXAGGSA-N 0 3 284.356 0.167 20 70 CCIDHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000161458511 350722425 /nfs/dbraw/zinc/72/24/25/350722425.db2.gz UYHBCLZSVMYACF-LDYMZIIASA-N 0 3 281.743 0.909 20 70 CCIDHN CCN(C)C(=O)CNC[C@H](O)COc1cccc(C)c1 ZINC000218215151 389136822 /nfs/dbraw/zinc/13/68/22/389136822.db2.gz LWHBHUAHAYTAGB-ZDUSSCGKSA-N 0 3 280.368 0.803 20 70 CCIDHN O=C(Nc1cnn(-c2ccccc2F)c1)[C@@H]1C[C@@H](O)CN1 ZINC000159482949 389367901 /nfs/dbraw/zinc/36/79/01/389367901.db2.gz JTQQPEZJPSRWDD-PWSUYJOCSA-N 0 3 290.298 0.673 20 70 CCIDHN CCN1CCCN(C(=O)NCc2ccnn2C)CC1 ZINC000159661901 389370729 /nfs/dbraw/zinc/37/07/29/389370729.db2.gz HBJQREQSVJPJOC-UHFFFAOYSA-N 0 3 265.361 0.657 20 70 CCIDHN CCC(=O)N1CC[C@@H](NC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159707651 389371658 /nfs/dbraw/zinc/37/16/58/389371658.db2.gz FRGANBJNBNZURR-CYBMUJFWSA-N 0 3 298.431 0.979 20 70 CCIDHN CN(C)CCNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000159672946 389371722 /nfs/dbraw/zinc/37/17/22/389371722.db2.gz AZPPOVCEZTYCCT-GFCCVEGCSA-N 0 3 279.340 0.541 20 70 CCIDHN CCN(C(=O)[C@@H](C)N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000159770903 389373157 /nfs/dbraw/zinc/37/31/57/389373157.db2.gz PAOOWUXZMKXJEI-DGCLKSJQSA-N 0 3 275.352 0.988 20 70 CCIDHN CCC[C@@H](N)C(=O)N(CC)[C@H](C)CS(=O)(=O)CC ZINC000160048588 389378206 /nfs/dbraw/zinc/37/82/06/389378206.db2.gz XOYJFDTYQFFQIS-GHMZBOCLSA-N 0 3 278.418 0.786 20 70 CCIDHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160306633 389385578 /nfs/dbraw/zinc/38/55/78/389385578.db2.gz NWVUSJGLOHIZAL-GFCCVEGCSA-N 0 3 299.415 0.112 20 70 CCIDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(CC(=O)NC)CC1 ZINC000160350876 397418413 /nfs/dbraw/zinc/41/84/13/397418413.db2.gz BAKUQAQFSMWTIE-ZWNOBZJWSA-N 0 3 269.389 0.735 20 70 CCIDHN CCOCCNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160193450 286098401 /nfs/dbraw/zinc/09/84/01/286098401.db2.gz QFZNQYJVZIIPGJ-UHIISALHSA-N 0 3 270.373 0.672 20 70 CCIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCC1(CO)CC1 ZINC000160726131 544702427 /nfs/dbraw/zinc/70/24/27/544702427.db2.gz QHSFNHZKPMFKQI-RWSFTLGLSA-N 0 3 282.384 0.408 20 70 CCIDHN CCCN1CCCN(C(=O)COCCOCC)CC1 ZINC000160365189 519848750 /nfs/dbraw/zinc/84/87/50/519848750.db2.gz IWHMYLXNEAEOKU-UHFFFAOYSA-N 0 3 272.389 0.984 20 70 CCIDHN COC(=O)[C@@H]1CCC[C@@H]1NC(=O)CNC[C@@H]1CCCO1 ZINC000160575985 350702790 /nfs/dbraw/zinc/70/27/90/350702790.db2.gz ZGVQEGLYRVAWHY-TUAOUCFPSA-N 0 3 284.356 0.213 20 70 CCIDHN COC(=O)CCN(CC(C)C)C(=O)COC1(C)CNC1 ZINC000161123349 350713300 /nfs/dbraw/zinc/71/33/00/350713300.db2.gz IBEJUWXPWWZVMB-UHFFFAOYSA-N 0 3 286.372 0.413 20 70 CCIDHN CCN1CCCN(C(=O)NCCCN2CCOCC2)CC1 ZINC000159508677 350680946 /nfs/dbraw/zinc/68/09/46/350680946.db2.gz ULTWRYWJNBSRIN-UHFFFAOYSA-N 0 3 298.431 0.446 20 70 CCIDHN CSCC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159614036 350682927 /nfs/dbraw/zinc/68/29/27/350682927.db2.gz KDJKQGOCKHYRCU-OUAUKWLOSA-N 0 3 257.403 0.420 20 70 CCIDHN CCNC(=O)NC(=O)CN1CCN(c2ccncc2)CC1 ZINC000161314993 350718602 /nfs/dbraw/zinc/71/86/02/350718602.db2.gz QZXYLLGKOAVGPA-UHFFFAOYSA-N 0 3 291.355 0.049 20 70 CCIDHN CCC[C@@H](C(=O)N1CCN(c2cnccn2)CC1)N(C)C ZINC000161428041 350720330 /nfs/dbraw/zinc/72/03/30/350720330.db2.gz ABXJGZPSFJRICW-ZDUSSCGKSA-N 0 3 291.399 0.856 20 70 CCIDHN CCN(C)C(=O)CNC[C@H](O)COc1ccccc1F ZINC000218113582 389135988 /nfs/dbraw/zinc/13/59/88/389135988.db2.gz KBFKFSJVALWOLN-NSHDSACASA-N 0 3 284.331 0.633 20 70 CCIDHN C[C@H](N)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000159824805 389373533 /nfs/dbraw/zinc/37/35/33/389373533.db2.gz MOBPDPLDGCRVQW-NSHDSACASA-N 0 3 275.352 0.819 20 70 CCIDHN CC(C)n1cc([C@H](C)NCCN2C(=O)CNC2=O)cn1 ZINC000159846858 389375376 /nfs/dbraw/zinc/37/53/76/389375376.db2.gz BQYGJXZDOCYREB-JTQLQIEISA-N 0 3 279.344 0.666 20 70 CCIDHN C[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000159936514 389376382 /nfs/dbraw/zinc/37/63/82/389376382.db2.gz LHYATQJBEFXYHK-CABZTGNLSA-N 0 3 279.315 0.737 20 70 CCIDHN Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cn1 ZINC000160027604 389378156 /nfs/dbraw/zinc/37/81/56/389378156.db2.gz GDYGFFUJPPVSEI-CQSZACIVSA-N 0 3 277.368 0.967 20 70 CCIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NC[C@@H]1COCCO1 ZINC000160292222 389386009 /nfs/dbraw/zinc/38/60/09/389386009.db2.gz KYVZCXACVNIYET-ZAZJYDDPSA-N 0 3 298.383 0.051 20 70 CCIDHN C[C@]1(C(=O)NC[C@H](O)CN2CCCCC2)CCCO1 ZINC000160534844 389392019 /nfs/dbraw/zinc/39/20/19/389392019.db2.gz HEYNIVUFUJQUCO-GXTWGEPZSA-N 0 3 270.373 0.519 20 70 CCIDHN Cc1cnn(CCC(=O)NC[C@@H](O)CN2CCCCC2)c1 ZINC000160619855 389394644 /nfs/dbraw/zinc/39/46/44/389394644.db2.gz AUZCPMITEUNHJZ-CQSZACIVSA-N 0 3 294.399 0.545 20 70 CCIDHN Cn1cccc1C(=O)NCC1CCN(CCO)CC1 ZINC000160717447 389397784 /nfs/dbraw/zinc/39/77/84/389397784.db2.gz TZDWVGBWBIUJKX-UHFFFAOYSA-N 0 3 265.357 0.459 20 70 CCIDHN CCN(CC)CC(=O)N1CCN(C[C@@](C)(O)CC)CC1 ZINC000160912683 389402143 /nfs/dbraw/zinc/40/21/43/389402143.db2.gz VBPQVPISUXQBCG-HNNXBMFYSA-N 0 3 285.432 0.633 20 70 CCIDHN NC1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCCCC1 ZINC000160200559 544698764 /nfs/dbraw/zinc/69/87/64/544698764.db2.gz ONFOXFAQHJDMOD-NEPJUHHUSA-N 0 3 279.384 0.775 20 70 CCIDHN O=C(NCCCOC[C@H]1CCOC1)[C@]1(F)CCNC1 ZINC000160588312 527687961 /nfs/dbraw/zinc/68/79/61/527687961.db2.gz RCBJKDBUYUDAKP-YPMHNXCESA-N 0 3 274.336 0.247 20 70 CCIDHN CC[C@H](N)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000160045979 290727853 /nfs/dbraw/zinc/72/78/53/290727853.db2.gz OLVFMJYGPCNMEY-JTQLQIEISA-N 0 3 255.362 0.489 20 70 CCIDHN Cc1nn(C)cc1CNCCC(=O)NCc1cccnc1 ZINC000161136215 350712766 /nfs/dbraw/zinc/71/27/66/350712766.db2.gz UMRGDBIYYPVAMT-UHFFFAOYSA-N 0 3 287.367 0.920 20 70 CCIDHN CCC(CC)(CN)C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000161237608 350716963 /nfs/dbraw/zinc/71/69/63/350716963.db2.gz YGJJQDFPYQNQTE-GHMZBOCLSA-N 0 3 290.429 0.786 20 70 CCIDHN CN(CCCN1CCN(C)CC1)C[C@@H](O)C(F)(F)F ZINC000161256153 350716981 /nfs/dbraw/zinc/71/69/81/350716981.db2.gz XLGLCLUKCPOFAP-LLVKDONJSA-N 0 3 283.338 0.479 20 70 CCIDHN CCC(CC)(CN)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000161248478 350717095 /nfs/dbraw/zinc/71/70/95/350717095.db2.gz PTVPKHRPJLEZMT-UHFFFAOYSA-N 0 3 290.429 0.787 20 70 CCIDHN CNCC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000161311319 350718542 /nfs/dbraw/zinc/71/85/42/350718542.db2.gz MYAULMPSSVPQAN-CMPLNLGQSA-N 0 3 261.325 0.516 20 70 CCIDHN OCCOCCNCc1cncc(Br)c1 ZINC000160574359 188481199 /nfs/dbraw/zinc/48/11/99/188481199.db2.gz SZJFJCIYPZGJSQ-UHFFFAOYSA-N 0 3 275.146 0.943 20 70 CCIDHN C[C@@H](CCn1cccn1)NCC(=O)NCC1CC1 ZINC000159498024 389367893 /nfs/dbraw/zinc/36/78/93/389367893.db2.gz PSUGHPKNKWDEBH-NSHDSACASA-N 0 3 250.346 0.778 20 70 CCIDHN CN(C)CCNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000159673045 389371524 /nfs/dbraw/zinc/37/15/24/389371524.db2.gz AZPPOVCEZTYCCT-LBPRGKRZSA-N 0 3 279.340 0.541 20 70 CCIDHN Cn1nccc1/C=C/C(=O)NC[C@H](O)CN1CCCCC1 ZINC000159918048 389376077 /nfs/dbraw/zinc/37/60/77/389376077.db2.gz XKYNTYOXCTUIFX-GJBLVYBDSA-N 0 3 292.383 0.396 20 70 CCIDHN Cc1conc1NC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000160179771 389381980 /nfs/dbraw/zinc/38/19/80/389381980.db2.gz CRALOTRRNKCHQF-SNVBAGLBSA-N 0 3 294.355 0.770 20 70 CCIDHN Cc1conc1NC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000160186859 389382362 /nfs/dbraw/zinc/38/23/62/389382362.db2.gz XCIVCDJFQGTDNR-LLVKDONJSA-N 0 3 294.355 0.912 20 70 CCIDHN COc1ccc(NC(=O)C(=O)N2CCC[C@H]2CN)cc1 ZINC000160278079 389384505 /nfs/dbraw/zinc/38/45/05/389384505.db2.gz YFBGEBMVHJMZHK-NSHDSACASA-N 0 3 277.324 0.583 20 70 CCIDHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC(=O)NC)CC1 ZINC000160351012 389386389 /nfs/dbraw/zinc/38/63/89/389386389.db2.gz BAKUQAQFSMWTIE-GXFFZTMASA-N 0 3 269.389 0.735 20 70 CCIDHN CCc1nnsc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160598527 389394501 /nfs/dbraw/zinc/39/45/01/389394501.db2.gz RGYFZVYNFQBXCI-SNVBAGLBSA-N 0 3 298.412 0.677 20 70 CCIDHN Cc1cc(C)n(CC(=O)NC[C@@H](O)CN2CCCCC2)n1 ZINC000160599332 389394609 /nfs/dbraw/zinc/39/46/09/389394609.db2.gz HIKXDRRNNYQQIZ-CQSZACIVSA-N 0 3 294.399 0.463 20 70 CCIDHN CCC(=O)N1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC000160804951 389400395 /nfs/dbraw/zinc/40/03/95/389400395.db2.gz XGVSLYVOUAEQGN-GHMZBOCLSA-N 0 3 255.362 0.454 20 70 CCIDHN C[C@@H](N)C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000160943452 389402667 /nfs/dbraw/zinc/40/26/67/389402667.db2.gz BWAUIUJSAKKYOT-YPMHNXCESA-N 0 3 275.352 0.988 20 70 CCIDHN COCCNCC(=O)NC[C@@H](C)Oc1cccc(F)c1 ZINC000161151823 389403951 /nfs/dbraw/zinc/40/39/51/389403951.db2.gz ZOYQJLPQNWDGOM-LLVKDONJSA-N 0 3 284.331 0.945 20 70 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544706111 /nfs/dbraw/zinc/70/61/11/544706111.db2.gz TYRHFIDEZCEUCF-LLVKDONJSA-N 0 3 279.731 0.817 20 70 CCIDHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160443126 289205516 /nfs/dbraw/zinc/20/55/16/289205516.db2.gz WQDCUASEIPTOAX-YDHLFZDLSA-N 0 3 299.415 0.556 20 70 CCIDHN CN(C)S(=O)(=O)CCCN(C)C[C@@H]1CCC[C@@H]1O ZINC000159454589 289234888 /nfs/dbraw/zinc/23/48/88/289234888.db2.gz NFQAXHKMSYXOJE-RYUDHWBXSA-N 0 3 278.418 0.361 20 70 CCIDHN Cc1nc(C(=O)N(C)C[C@H]2CCCN(C)C2)c(=O)[nH]c1C ZINC000159650089 293157793 /nfs/dbraw/zinc/15/77/93/293157793.db2.gz DBLUEYIHQCVCLG-LBPRGKRZSA-N 0 3 292.383 0.801 20 70 CCIDHN CC(C)COCCC(=O)NCC1CCN(CCO)CC1 ZINC000160593738 519752488 /nfs/dbraw/zinc/75/24/88/519752488.db2.gz DQAUIDQEIWSMCD-UHFFFAOYSA-N 0 3 286.416 0.870 20 70 CCIDHN CCOCCC(=O)NCC1CCN(CCO)CC1 ZINC000160534837 521675565 /nfs/dbraw/zinc/67/55/65/521675565.db2.gz WBZZHIKTGZEXQS-UHFFFAOYSA-N 0 3 258.362 0.234 20 70 CCIDHN CN1CCC(NC(=O)N2CCC[C@@](C)(O)C2)CC1 ZINC000159826963 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