smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C[C@H](O)c1ccccc1)Nc1nc(C(C)(C)C)ns1 ZINC000159952885 332641846 /nfs/dbraw/zinc/64/18/46/332641846.db2.gz SNYGAWMJQUFGNL-AAEUAGOBSA-N 0 0 305.447 3.760 10 70 DHIERN C[C@H](C[C@H](O)c1cccs1)Nc1nc(C(C)(C)C)ns1 ZINC000160073023 334863469 /nfs/dbraw/zinc/86/34/69/334863469.db2.gz GAZFPVWWYUYHEJ-ZJUUUORDSA-N 0 0 311.476 3.821 10 70 DHIERN Cc1cc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)nc2ccccc12 ZINC000160181526 334868664 /nfs/dbraw/zinc/86/86/64/334868664.db2.gz JIQLUHFCBPMAPJ-OAHLLOKOSA-N 0 0 324.424 3.765 10 70 DHIERN C[C@@H]1[C@H](C)SCCN1c1ncc(Cl)cc1Br ZINC000159871220 525694273 /nfs/dbraw/zinc/69/42/73/525694273.db2.gz BDXZACRBBDGBIG-SFYZADRCSA-N 0 0 321.671 3.828 10 70 DHIERN CNC(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000160796553 338565963 /nfs/dbraw/zinc/56/59/63/338565963.db2.gz NLZPNYGTDSSBST-MRVPVSSYSA-N 0 0 313.188 3.551 10 70 DHIERN CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H](C)C(C)C)CCC2 ZINC000160678172 522470482 /nfs/dbraw/zinc/47/04/82/522470482.db2.gz GJIXVJKYXJVWOY-YPMHNXCESA-N 0 0 309.479 3.769 10 70 DHIERN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000159507897 332446412 /nfs/dbraw/zinc/44/64/12/332446412.db2.gz XQYILAIASBTDGJ-GFCCVEGCSA-N 0 0 316.401 3.817 10 70 DHIERN CC(C)[C@H](O)CC(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159636550 332681478 /nfs/dbraw/zinc/68/14/78/332681478.db2.gz IZTBFURWGGCFKO-MRXNPFEDSA-N 0 0 321.486 3.615 10 70 DHIERN Cc1[nH]ccc1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159659638 332684923 /nfs/dbraw/zinc/68/49/23/332684923.db2.gz LMENLIMKEWOWBY-CYBMUJFWSA-N 0 0 300.402 3.849 10 70 DHIERN CCCOc1cccc(CC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000160792159 338565788 /nfs/dbraw/zinc/56/57/88/338565788.db2.gz WWOBDWZRMCVMPR-CQSZACIVSA-N 0 0 301.386 3.797 10 70 DHIERN CCOCCC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000160910224 338570207 /nfs/dbraw/zinc/57/02/07/338570207.db2.gz MCKCEPVBBLCRER-CHWSQXEVSA-N 0 0 321.383 3.821 10 70 DHIERN CCc1nnc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)[nH]1 ZINC000160398665 522346507 /nfs/dbraw/zinc/34/65/07/522346507.db2.gz BSRMBRRHHXREBZ-AWEZNQCLSA-N 0 0 316.449 3.643 10 70 DHIERN Fc1ccccc1-c1cnc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000159626901 526405605 /nfs/dbraw/zinc/40/56/05/526405605.db2.gz DBFGQIQNCBFDTR-JKSUJKDBSA-N 0 0 316.376 3.624 10 70 DHIERN CCOC[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000159478192 332618046 /nfs/dbraw/zinc/61/80/46/332618046.db2.gz MAHFJQPBTDDYOM-GFCCVEGCSA-N 0 0 306.356 3.766 10 70 DHIERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)C12CCC2 ZINC000160773998 333368312 /nfs/dbraw/zinc/36/83/12/333368312.db2.gz RFULZMBEVRNOEF-NUEKZKHPSA-N 0 0 320.433 3.638 10 70 DHIERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ncccc1Br ZINC000159477103 338526908 /nfs/dbraw/zinc/52/69/08/338526908.db2.gz MAFPNPCYSCMZNY-AWEZNQCLSA-N 0 0 318.218 3.916 10 70 DHIERN CC1(C)C[C@H](NC(=O)c2cccc3c[nH]nc32)c2ccccc2O1 ZINC000159946208 520553492 /nfs/dbraw/zinc/55/34/92/520553492.db2.gz DKRJMONPIATMND-HNNXBMFYSA-N 0 0 321.380 3.595 10 70 DHIERN COCCCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159703062 523099496 /nfs/dbraw/zinc/09/94/96/523099496.db2.gz LACPIMIAXIAMNH-HNNXBMFYSA-N 0 0 307.434 3.715 10 70 DHIERN Fc1ccccc1-c1cnc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000159626746 526405705 /nfs/dbraw/zinc/40/57/05/526405705.db2.gz DBFGQIQNCBFDTR-HOTGVXAUSA-N 0 0 316.376 3.624 10 70 DHIERN O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159896011 526933353 /nfs/dbraw/zinc/93/33/53/526933353.db2.gz VDPVHEKGSJZUSL-ZACQAIPSSA-N 0 0 305.462 3.811 10 70 DHIERN CCOCC1CCN(c2ccnc3c(F)cc(F)cc23)CC1 ZINC000159462299 521673125 /nfs/dbraw/zinc/67/31/25/521673125.db2.gz LKXZPUMVASRMIR-UHFFFAOYSA-N 0 0 306.356 3.766 10 70 DHIERN COC(=O)c1ccc(CSCc2nccn2C(C)C)s1 ZINC000159829566 522050722 /nfs/dbraw/zinc/05/07/22/522050722.db2.gz MHDLFWCKBSLOGE-UHFFFAOYSA-N 0 0 310.444 3.746 10 70 DHIERN C[C@H]1SCCN(c2ncc(Cl)cc2Br)[C@H]1C ZINC000159871646 525076937 /nfs/dbraw/zinc/07/69/37/525076937.db2.gz BDXZACRBBDGBIG-JGVFFNPUSA-N 0 0 321.671 3.828 10 70 DHIERN Cc1ccccc1[C@H](C)NC(=O)N(C)CCC1CCOCC1 ZINC000161349385 525408904 /nfs/dbraw/zinc/40/89/04/525408904.db2.gz FWRFRNOEGCKOGC-HNNXBMFYSA-N 0 0 304.434 3.514 10 70 DHIERN Cc1ccc(-c2csc(NC(=O)C[C@H](O)C(C)C)n2)c(C)c1 ZINC000159487139 332143941 /nfs/dbraw/zinc/14/39/41/332143941.db2.gz NGVBBSDNXUUMIY-HNNXBMFYSA-N 0 0 318.442 3.772 10 70 DHIERN CC(C)COc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000159560163 332659065 /nfs/dbraw/zinc/65/90/65/332659065.db2.gz JUZNAVOCWPILMQ-HZPDHXFCSA-N 0 0 319.445 3.715 10 70 DHIERN O[C@]12CCCC[C@@H]1CN(c1ccnc3c(F)cc(F)cc13)CC2 ZINC000160001118 334863208 /nfs/dbraw/zinc/86/32/08/334863208.db2.gz MXUGHSZPFYWHLW-XIKOKIGWSA-N 0 0 318.367 3.644 10 70 DHIERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160416988 524447105 /nfs/dbraw/zinc/44/71/05/524447105.db2.gz KDDWVNZZFNMXAF-AWEZNQCLSA-N 0 0 320.481 3.524 10 70 DHIERN COc1ccc([C@H](C)C(=O)N(C)c2ccc(OC)c(F)c2)cc1 ZINC000159651979 525287194 /nfs/dbraw/zinc/28/71/94/525287194.db2.gz XCWHXTGLSANBMF-LBPRGKRZSA-N 0 0 317.360 3.609 10 70 DHIERN O=C(CC/C=C/c1ccccc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000160282705 526325588 /nfs/dbraw/zinc/32/55/88/526325588.db2.gz UKBJCXDFLAODFT-MUFCHLESSA-N 0 0 309.413 3.957 10 70 DHIERN Cc1ocnc1C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159496498 526835864 /nfs/dbraw/zinc/83/58/64/526835864.db2.gz CKZSRPAEXIVFPT-LBPRGKRZSA-N 0 0 302.374 3.509 10 70 DHIERN COc1ccc(-c2cc(C(F)(F)F)nc(SC)n2)cc1 ZINC000217032132 201508366 /nfs/dbraw/zinc/50/83/66/201508366.db2.gz IQAYKITYVXQAAW-UHFFFAOYSA-N 0 0 300.305 3.893 10 70 DHIERN C[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(Cl)c(Cl)c1 ZINC000159961708 338537002 /nfs/dbraw/zinc/53/70/02/338537002.db2.gz ZNGSVQMQJGRZRX-RNCFNFMXSA-N 0 0 302.201 3.740 10 70 DHIERN CCCOc1cccc(CC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000160792027 338565783 /nfs/dbraw/zinc/56/57/83/338565783.db2.gz WWOBDWZRMCVMPR-AWEZNQCLSA-N 0 0 301.386 3.797 10 70 DHIERN CCc1ccc([C@H](C)NC(=O)NCc2cccc(F)c2)cc1 ZINC000217314721 340487484 /nfs/dbraw/zinc/48/74/84/340487484.db2.gz KLIAQSSMLPUUJR-ZDUSSCGKSA-N 0 0 300.377 3.949 10 70 DHIERN C[C@H](CCC(C)(C)C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000160417107 524126370 /nfs/dbraw/zinc/12/63/70/524126370.db2.gz KDDWVNZZFNMXAF-CQSZACIVSA-N 0 0 320.481 3.524 10 70 DHIERN C[C@H]1CC[C@@H](NC(=O)COc2ccccc2O)c2ccccc21 ZINC000159726913 524364413 /nfs/dbraw/zinc/36/44/13/524364413.db2.gz XWUOIOSPGUKBLS-XJKSGUPXSA-N 0 0 311.381 3.526 10 70 DHIERN COc1ccc([C@@H](C)C(=O)N(C)c2ccc(OC)c(F)c2)cc1 ZINC000159652114 525117591 /nfs/dbraw/zinc/11/75/91/525117591.db2.gz XCWHXTGLSANBMF-GFCCVEGCSA-N 0 0 317.360 3.609 10 70 DHIERN Cc1ccc(-c2csc(NC(=O)C[C@H](O)C(C)C)n2)s1 ZINC000159493008 525782800 /nfs/dbraw/zinc/78/28/00/525782800.db2.gz GTXNEDHGCAJXSV-NSHDSACASA-N 0 0 310.444 3.526 10 70 DHIERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000160366515 526520015 /nfs/dbraw/zinc/52/00/15/526520015.db2.gz JCEKUFCYQIBRCL-SJKOYZFVSA-N 0 0 311.429 3.714 10 70 DHIERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000159507771 332445995 /nfs/dbraw/zinc/44/59/95/332445995.db2.gz XQYILAIASBTDGJ-LBPRGKRZSA-N 0 0 316.401 3.817 10 70 DHIERN C[C@H]1CC[C@H](C(=O)Nc2ccc(NCCc3ccccc3)cc2)O1 ZINC000159717414 332692859 /nfs/dbraw/zinc/69/28/59/332692859.db2.gz WUZMETJOIPPSBL-HNAYVOBHSA-N 0 0 324.424 3.847 10 70 DHIERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(NCCc3ccccc3)cc2)O1 ZINC000159717678 332692924 /nfs/dbraw/zinc/69/29/24/332692924.db2.gz WUZMETJOIPPSBL-KXBFYZLASA-N 0 0 324.424 3.847 10 70 DHIERN CNC(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000160796435 338565966 /nfs/dbraw/zinc/56/59/66/338565966.db2.gz NLZPNYGTDSSBST-QMMMGPOBSA-N 0 0 313.188 3.551 10 70 DHIERN CC(C)(C)c1nsc(N[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000159811807 519144768 /nfs/dbraw/zinc/14/47/68/519144768.db2.gz JMJKFBNDNIRLCP-QWHCGFSZSA-N 0 0 303.431 3.778 10 70 DHIERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)o1 ZINC000160460149 525906709 /nfs/dbraw/zinc/90/67/09/525906709.db2.gz VGXRPNWAPYPKQV-ZKYQVNSYSA-N 0 0 305.324 3.847 10 70 DHIERN Fc1cc(F)c2nccc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c2c1 ZINC000159977570 526305733 /nfs/dbraw/zinc/30/57/33/526305733.db2.gz QDBBHBRMCWMUFJ-XFJVYGCCSA-N 0 0 304.340 3.883 10 70 DHIERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000160366758 526519743 /nfs/dbraw/zinc/51/97/43/526519743.db2.gz JCEKUFCYQIBRCL-PXAZEXFGSA-N 0 0 311.429 3.714 10 70 DHIERN Cc1cccc([C@@H]2CCCCN2C(=O)C[C@@H](O)C(C)C)c1C ZINC000161351280 337582496 /nfs/dbraw/zinc/58/24/96/337582496.db2.gz IMUFNTBNMPHWIX-ZWKOTPCHSA-N 0 0 303.446 3.764 10 70 DHIERN CCOCCC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000160910100 338570097 /nfs/dbraw/zinc/57/00/97/338570097.db2.gz MCKCEPVBBLCRER-STQMWFEESA-N 0 0 321.383 3.821 10 70 DHIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cscn2)cc1 ZINC000159710390 519763874 /nfs/dbraw/zinc/76/38/74/519763874.db2.gz DYTGIEPREOTTDV-LBPRGKRZSA-N 0 0 304.415 3.669 10 70 DHIERN CC1(C)C[C@@H](NC(=O)c2cccc3c[nH]nc32)c2ccccc2O1 ZINC000159946303 520521900 /nfs/dbraw/zinc/52/19/00/520521900.db2.gz DKRJMONPIATMND-OAHLLOKOSA-N 0 0 321.380 3.595 10 70 DHIERN CCCn1nc(C)c(C(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000161233790 521665989 /nfs/dbraw/zinc/66/59/89/521665989.db2.gz IGJUYCAZHCNSDZ-QGZVFWFLSA-N 0 0 311.429 3.717 10 70 DHIERN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000159887524 523231396 /nfs/dbraw/zinc/23/13/96/523231396.db2.gz ZNRVZZDNOZPMCW-HUUCEWRRSA-N 0 0 306.837 3.910 10 70 DHIERN C[C@H]1CC[C@@H](C(=O)N(C)C2c3ccccc3-c3ccccc32)O1 ZINC000159541324 332655915 /nfs/dbraw/zinc/65/59/15/332655915.db2.gz IRRXFMHMPQHCCB-UGSOOPFHSA-N 0 0 307.393 3.782 10 70 DHIERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000159755842 338531819 /nfs/dbraw/zinc/53/18/19/338531819.db2.gz DCVNIXVWSQCTRP-VAVNGKDRSA-N 0 0 319.489 3.747 10 70 DHIERN COCCC1(CNC(=O)N2CCCC[C@H]2c2ccc(C)o2)CC1 ZINC000161079031 523037449 /nfs/dbraw/zinc/03/74/49/523037449.db2.gz IRYZCWSZBPUJBS-HNNXBMFYSA-N 0 0 320.433 3.641 10 70 DHIERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000160416496 524446732 /nfs/dbraw/zinc/44/67/32/524446732.db2.gz ORROCISPHZZMAF-ZDUSSCGKSA-N 0 0 306.454 3.514 10 70 DHIERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC2(CCC2)C1 ZINC000159793192 527032270 /nfs/dbraw/zinc/03/22/70/527032270.db2.gz DZRYVLWIKHYLCZ-NEPJUHHUSA-N 0 0 304.356 3.693 10 70 DHIERN CC(C)COc1ccc([C@H](C)NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000159560287 332659207 /nfs/dbraw/zinc/65/92/07/332659207.db2.gz JUZNAVOCWPILMQ-JKSUJKDBSA-N 0 0 319.445 3.715 10 70 DHIERN Cc1noc(Cl)c1CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000159593658 332675710 /nfs/dbraw/zinc/67/57/10/332675710.db2.gz SNSOCBHCOMUFBB-ZUZCIYMTSA-N 0 0 318.804 3.934 10 70 DHIERN CCC[C@H](NC(=O)Nc1ccccc1C)C(=O)OC(C)(C)C ZINC000160930246 333690411 /nfs/dbraw/zinc/69/04/11/333690411.db2.gz DFPYQWGBSAQXKR-AWEZNQCLSA-N 0 0 306.406 3.627 10 70 DHIERN Cc1ccc([C@@H](C)NC(=O)c2c(Cl)n(C)nc2C(C)C)o1 ZINC000160459733 525713219 /nfs/dbraw/zinc/71/32/19/525713219.db2.gz KYWQKPRRIGNKCF-SNVBAGLBSA-N 0 0 309.797 3.589 10 70 DHIERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC000160329520 527662093 /nfs/dbraw/zinc/66/20/93/527662093.db2.gz RRADGVYZVQYDGE-MRXNPFEDSA-N 0 0 317.477 3.917 10 70 DHIERN Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)on1 ZINC000159684111 332690514 /nfs/dbraw/zinc/69/05/14/332690514.db2.gz KIFKEBVYRNTWAD-CYBMUJFWSA-N 0 0 302.374 3.509 10 70 DHIERN CC(C)COc1ccc([C@H](C)NC(=O)CC2CCOCC2)cc1 ZINC000159893031 332724143 /nfs/dbraw/zinc/72/41/43/332724143.db2.gz BSXTUOGFEKGYKX-HNNXBMFYSA-N 0 0 319.445 3.715 10 70 DHIERN C[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1cccc(Cl)c1 ZINC000161117103 333814847 /nfs/dbraw/zinc/81/48/47/333814847.db2.gz NMKLYTGFESZBBJ-SMDDNHRTSA-N 0 0 310.825 3.658 10 70 DHIERN CCc1nnc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)[nH]1 ZINC000160398816 522351190 /nfs/dbraw/zinc/35/11/90/522351190.db2.gz BSRMBRRHHXREBZ-CQSZACIVSA-N 0 0 316.449 3.643 10 70 DHIERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(CNc3ccccc3)cc2)O1 ZINC000159848028 524337061 /nfs/dbraw/zinc/33/70/61/524337061.db2.gz CFRVCPQPYLWUFP-KSSFIOAISA-N 0 0 310.397 3.805 10 70 DHIERN Cc1cnc(CCNc2ccnc3c(F)cc(F)cc23)s1 ZINC000159648081 526004131 /nfs/dbraw/zinc/00/41/31/526004131.db2.gz VVYIVTGZSQPNGR-UHFFFAOYSA-N 0 0 305.353 3.933 10 70 DHIERN CC(C)c1nc2c(n1C)CCN(C(=O)C1CCC(C)(C)CC1)C2 ZINC000160334801 332785700 /nfs/dbraw/zinc/78/57/00/332785700.db2.gz XPRSQXNRIWAYGP-UHFFFAOYSA-N 0 0 317.477 3.645 10 70 DHIERN Cc1c2ccccc2oc1[C@H](NC(=O)C[C@@H](O)C(C)C)C(C)C ZINC000159786544 332704574 /nfs/dbraw/zinc/70/45/74/332704574.db2.gz TZCBAVMNLFQJSU-CRAIPNDOSA-N 0 0 317.429 3.962 10 70 DHIERN CN(Cc1ccc(Cl)nc1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000159887641 523232711 /nfs/dbraw/zinc/23/27/11/523232711.db2.gz ZNRVZZDNOZPMCW-CABCVRRESA-N 0 0 306.837 3.910 10 70 DHIERN Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159621591 526473633 /nfs/dbraw/zinc/47/36/33/526473633.db2.gz CHTZKCXDHGMWKC-GFCCVEGCSA-N 0 0 316.401 3.817 10 70 DHIERN CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159824053 332711611 /nfs/dbraw/zinc/71/16/11/332711611.db2.gz GYBSJGZJJMMXNM-KGLIPLIRSA-N 0 0 309.475 3.898 10 70 DHIERN COC[C@@H](C)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161158847 333821400 /nfs/dbraw/zinc/82/14/00/333821400.db2.gz FNJZQAWIBFPXBY-SJLPKXTDSA-N 0 0 303.446 3.673 10 70 DHIERN CCC[C@@H](NC(=O)c1sccc1CC)C(=O)OC(C)(C)C ZINC000161391104 337583823 /nfs/dbraw/zinc/58/38/23/337583823.db2.gz NNDCTCHKHPBLEJ-GFCCVEGCSA-N 0 0 311.447 3.551 10 70 DHIERN CC1(C)[C@H](Nc2ccnc3c(F)cc(F)cc23)[C@@H]2CCO[C@@H]21 ZINC000159611618 520674556 /nfs/dbraw/zinc/67/45/56/520674556.db2.gz YRGLVCZKPUYAND-JQAFLVLXSA-N 0 0 304.340 3.738 10 70 DHIERN CCc1nnc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)[nH]1 ZINC000160302704 522353473 /nfs/dbraw/zinc/35/34/73/522353473.db2.gz PILCADPDJJVQGL-SSDOTTSWSA-N 0 0 317.195 3.664 10 70 DHIERN CCc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H](C)C(C)C)CCC2 ZINC000160677904 522470780 /nfs/dbraw/zinc/47/07/80/522470780.db2.gz GJIXVJKYXJVWOY-AAEUAGOBSA-N 0 0 309.479 3.769 10 70 DHIERN COCCCCNC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000160376403 523164130 /nfs/dbraw/zinc/16/41/30/523164130.db2.gz RMBWMGVZYABORM-HNNXBMFYSA-N 0 0 322.449 3.508 10 70 DHIERN C[C@H]1CC[C@H](NC(=O)COc2ccccc2O)c2ccccc21 ZINC000159726655 524416951 /nfs/dbraw/zinc/41/69/51/524416951.db2.gz XWUOIOSPGUKBLS-BBRMVZONSA-N 0 0 311.381 3.526 10 70 DHIERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)o1 ZINC000160459328 525907402 /nfs/dbraw/zinc/90/74/02/525907402.db2.gz BCOKOTMFEPVISZ-UHTWSYAYSA-N 0 0 305.324 3.847 10 70 DHIERN CCCc1nnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000160637909 334877738 /nfs/dbraw/zinc/87/77/38/334877738.db2.gz NTSQOXFLKHQKTR-KGLIPLIRSA-N 0 0 303.431 3.823 10 70 DHIERN CCc1ccc([C@H](C)NC(=O)NCCOc2ccccc2)cc1 ZINC000217303590 340487461 /nfs/dbraw/zinc/48/74/61/340487461.db2.gz VJEYTLLINAMVOA-HNNXBMFYSA-N 0 0 312.413 3.688 10 70 DHIERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)o1 ZINC000160459069 525906400 /nfs/dbraw/zinc/90/64/00/525906400.db2.gz BCOKOTMFEPVISZ-CYZMBNFOSA-N 0 0 305.324 3.847 10 70 DHIERN FC(F)(F)c1nnc(Nc2ccc3c(c2)CCCN3)s1 ZINC000160368377 527691001 /nfs/dbraw/zinc/69/10/01/527691001.db2.gz ZFWBIYVNVJGJEJ-UHFFFAOYSA-N 0 0 300.309 3.659 10 70 DHIERN Cc1ccc(-c2csc(NC(=O)C[C@@H](O)C(C)C)n2)c(C)c1 ZINC000159487255 332143953 /nfs/dbraw/zinc/14/39/53/332143953.db2.gz NGVBBSDNXUUMIY-OAHLLOKOSA-N 0 0 318.442 3.772 10 70 DHIERN Cc1ncsc1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159754638 332701140 /nfs/dbraw/zinc/70/11/40/332701140.db2.gz PPVNBOWFMFGJKM-GFCCVEGCSA-N 0 0 318.442 3.977 10 70 DHIERN Fc1cc(F)c2nccc(N3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC000160021256 334863254 /nfs/dbraw/zinc/86/32/54/334863254.db2.gz FUAINNYQMCAZMO-BDJLRTHQSA-N 0 0 304.340 3.518 10 70 DHIERN CC(C)COc1ccc([C@@H](C)NC(=O)C2=COCCC2)cc1 ZINC000159642278 519763650 /nfs/dbraw/zinc/76/36/50/519763650.db2.gz GTWVCPDNWVEEDH-CQSZACIVSA-N 0 0 303.402 3.593 10 70 DHIERN CCC[C@H](NC(=O)Nc1c(C)cccc1C)C(=O)OC(C)(C)C ZINC000161065783 333792793 /nfs/dbraw/zinc/79/27/93/333792793.db2.gz TXQZVVMZCSJVGK-AWEZNQCLSA-N 0 0 320.433 3.935 10 70 DHIERN CC(C)(C)c1nsc(NCc2ccnc(OCC3CC3)c2)n1 ZINC000159407032 519141838 /nfs/dbraw/zinc/14/18/38/519141838.db2.gz MRQNCMMQQBATSN-UHFFFAOYSA-N 0 0 318.446 3.632 10 70 DHIERN CC(C)n1ccnc1C[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160527842 332814790 /nfs/dbraw/zinc/81/47/90/332814790.db2.gz CEWFSCRCWLTBSB-HXUWFJFHSA-N 0 0 311.476 3.526 10 70 DHIERN C[C@@H]1CC[C@H](C(=O)N(C)C2c3ccccc3-c3ccccc32)O1 ZINC000159540898 332655725 /nfs/dbraw/zinc/65/57/25/332655725.db2.gz IRRXFMHMPQHCCB-FZKQIMNGSA-N 0 0 307.393 3.782 10 70 DHIERN COC[C@H](C)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161158736 333821455 /nfs/dbraw/zinc/82/14/55/333821455.db2.gz FNJZQAWIBFPXBY-FUHWJXTLSA-N 0 0 303.446 3.673 10 70 DHIERN Cc1cccc([C@H]2CCCCN2C(=O)C[C@@H](O)C(C)C)c1C ZINC000161351396 337582490 /nfs/dbraw/zinc/58/24/90/337582490.db2.gz 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/nfs/dbraw/zinc/87/21/82/334872182.db2.gz SOXFYULGGYHMNI-DOTOQJQBSA-N 0 0 313.376 3.652 10 70 DHIERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160325953 334872336 /nfs/dbraw/zinc/87/23/36/334872336.db2.gz ARQBRZNOPURFPY-HZPDHXFCSA-N 0 0 307.397 3.713 10 70 DHIERN Nc1ccc2c(c1)CCC[C@H]2Nc1ccc(Br)cn1 ZINC000159483081 338527017 /nfs/dbraw/zinc/52/70/17/338527017.db2.gz VPYYUCPLOPWZCI-CQSZACIVSA-N 0 0 318.218 3.916 10 70 DHIERN Cc1ocnc1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159496639 526837287 /nfs/dbraw/zinc/83/72/87/526837287.db2.gz CKZSRPAEXIVFPT-GFCCVEGCSA-N 0 0 302.374 3.509 10 70 DHIERN Fc1ccc(-c2ccc(N[C@H]3CCO[C@H](C4CC4)C3)nn2)cc1 ZINC000160329911 334872091 /nfs/dbraw/zinc/87/20/91/334872091.db2.gz SOXFYULGGYHMNI-RDJZCZTQSA-N 0 0 313.376 3.652 10 70 DHIERN CCC1CCC(NC(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160781985 519855705 /nfs/dbraw/zinc/85/57/05/519855705.db2.gz DNTCXNVEFWHITK-UHFFFAOYSA-N 0 0 318.343 3.536 10 70 DHIERN COc1ccccc1-c1cccc(NC(=O)C[C@@H](O)C(C)C)c1 ZINC000159668678 524271476 /nfs/dbraw/zinc/27/14/76/524271476.db2.gz IBQNOKGCXSPOGS-QGZVFWFLSA-N 0 0 313.397 3.708 10 70 DHIERN CC(C)COc1ccc([C@@H](C)NC(=O)CCOC(C)C)cc1 ZINC000159688680 332690423 /nfs/dbraw/zinc/69/04/23/332690423.db2.gz PVYSEYIGWWEAPH-OAHLLOKOSA-N 0 0 307.434 3.714 10 70 DHIERN CCOCCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159806459 332707872 /nfs/dbraw/zinc/70/78/72/332707872.db2.gz WTANVTVQBVZTMA-HNNXBMFYSA-N 0 0 307.434 3.715 10 70 DHIERN CC(C)COc1ccc([C@H](C)NC(=O)C2=COCCC2)cc1 ZINC000159642373 519763494 /nfs/dbraw/zinc/76/34/94/519763494.db2.gz GTWVCPDNWVEEDH-AWEZNQCLSA-N 0 0 303.402 3.593 10 70 DHIERN CN(Cc1ccc(Cl)nc1)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000159887739 523229221 /nfs/dbraw/zinc/22/92/21/523229221.db2.gz ZNRVZZDNOZPMCW-LSDHHAIUSA-N 0 0 306.837 3.910 10 70 DHIERN Cc1ccc(-c2csc(NC(=O)C[C@@H](O)C(C)C)n2)s1 ZINC000159493139 525782521 /nfs/dbraw/zinc/78/25/21/525782521.db2.gz GTXNEDHGCAJXSV-LLVKDONJSA-N 0 0 310.444 3.526 10 70 DHIERN Cc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)O[C@H](C)C3)o2)cc1C ZINC000160463046 525861017 /nfs/dbraw/zinc/86/10/17/525861017.db2.gz CALNXSIPHPBEPL-KFWWJZLASA-N 0 0 315.417 3.524 10 70 DHIERN C[C@@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000159707134 332692427 /nfs/dbraw/zinc/69/24/27/332692427.db2.gz PAEBLAQHEAQDBD-RKDXNWHRSA-N 0 0 321.726 3.608 10 70 DHIERN C[C@H](C[C@@H](O)c1cccs1)Nc1nc(C(C)(C)C)ns1 ZINC000160073266 334863614 /nfs/dbraw/zinc/86/36/14/334863614.db2.gz GAZFPVWWYUYHEJ-NXEZZACHSA-N 0 0 311.476 3.821 10 70 DHIERN CN(Cc1ccc(Cl)nc1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000159887840 523232367 /nfs/dbraw/zinc/23/23/67/523232367.db2.gz ZNRVZZDNOZPMCW-GJZGRUSLSA-N 0 0 306.837 3.910 10 70 DHIERN Cc1ccccc1[C@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C ZINC000161351996 525408808 /nfs/dbraw/zinc/40/88/08/525408808.db2.gz ZSIWGDWUPBESHA-ZDUSSCGKSA-N 0 0 319.836 3.890 10 70 DHIERN C[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1cccc(Cl)c1 ZINC000161117339 333815057 /nfs/dbraw/zinc/81/50/57/333815057.db2.gz NMKLYTGFESZBBJ-FZMZJTMJSA-N 0 0 310.825 3.658 10 70 DHIERN CC(C)COc1ccc([C@@H](C)NC(=O)CC(F)(F)F)cc1 ZINC000159698609 519763648 /nfs/dbraw/zinc/76/36/48/519763648.db2.gz OCNOWNJGZDDASA-LLVKDONJSA-N 0 0 303.324 3.851 10 70 DHIERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(CNc3ccccc3)cc2)O1 ZINC000159847620 524638028 /nfs/dbraw/zinc/63/80/28/524638028.db2.gz CFRVCPQPYLWUFP-RDTXWAMCSA-N 0 0 310.397 3.805 10 70 DHIERN Cc1ccc([C@H](C)NC(=O)c2c(Cl)n(C)nc2C(C)C)o1 ZINC000160459863 525907581 /nfs/dbraw/zinc/90/75/81/525907581.db2.gz KYWQKPRRIGNKCF-JTQLQIEISA-N 0 0 309.797 3.589 10 70 DHIERN Fc1cc(F)c2nccc(N3CCOC4(CCCC4)C3)c2c1 ZINC000159998399 526305627 /nfs/dbraw/zinc/30/56/27/526305627.db2.gz YCIXZEFDNLAIPG-UHFFFAOYSA-N 0 0 304.340 3.662 10 70 DHIERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000161432670 332671315 /nfs/dbraw/zinc/67/13/15/332671315.db2.gz XSKQIZIKGPDHOS-WDEREUQCSA-N 0 0 303.299 3.985 10 70 DHIERN Cc1c2ccccc2oc1[C@@H](NC(=O)C[C@@H](O)C(C)C)C(C)C ZINC000159786699 332704608 /nfs/dbraw/zinc/70/46/08/332704608.db2.gz TZCBAVMNLFQJSU-QAPCUYQASA-N 0 0 317.429 3.962 10 70 DHIERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)C12CCC2 ZINC000160773745 333368348 /nfs/dbraw/zinc/36/83/48/333368348.db2.gz RFULZMBEVRNOEF-CWRNSKLLSA-N 0 0 320.433 3.638 10 70 DHIERN Nc1ccc2c(c1)CCC[C@H]2Nc1nnc(C(F)(F)F)s1 ZINC000160396104 338549350 /nfs/dbraw/zinc/54/93/50/338549350.db2.gz GIUKVFFVQFCLMB-SNVBAGLBSA-N 0 0 314.336 3.629 10 70 DHIERN CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@H](C)C(C)C)CCC2 ZINC000160678044 522475327 /nfs/dbraw/zinc/47/53/27/522475327.db2.gz GJIXVJKYXJVWOY-DGCLKSJQSA-N 0 0 309.479 3.769 10 70 DHIERN O[C@@H](CNc1ccnc2c(F)cc(F)cc12)c1ccsc1 ZINC000159584532 527656175 /nfs/dbraw/zinc/65/61/75/527656175.db2.gz JJWFQNLKCUQYLM-AWEZNQCLSA-N 0 0 306.337 3.720 10 70 DHIERN CC(C)COc1ccc([C@@H](C)NC(=O)CC[C@H]2CCOC2)cc1 ZINC000159560434 332659217 /nfs/dbraw/zinc/65/92/17/332659217.db2.gz JUZNAVOCWPILMQ-CVEARBPZSA-N 0 0 319.445 3.715 10 70 DHIERN Cc1ncsc1C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159754509 332701900 /nfs/dbraw/zinc/70/19/00/332701900.db2.gz PPVNBOWFMFGJKM-LBPRGKRZSA-N 0 0 318.442 3.977 10 70 DHIERN CCc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H](C)C(C)C)CCC2 ZINC000160677766 522474562 /nfs/dbraw/zinc/47/45/62/522474562.db2.gz GJIXVJKYXJVWOY-WCQYABFASA-N 0 0 309.479 3.769 10 70 DHIERN CCn1cc(C2CCN(Cc3csc(C(C)C)n3)CC2)cn1 ZINC000160470869 523356061 /nfs/dbraw/zinc/35/60/61/523356061.db2.gz MVOIZQSJQOWXFQ-UHFFFAOYSA-N 0 0 318.490 3.863 10 70 DHIERN C[C@H](C[C@H](O)c1ccccc1)Nc1nc(C(C)(C)C)ns1 ZINC000159953029 332641994 /nfs/dbraw/zinc/64/19/94/332641994.db2.gz SNYGAWMJQUFGNL-YPMHNXCESA-N 0 0 305.447 3.760 10 70 DHIERN CC(C)(C)c1nsc(NC[C@H](O)c2ccc(Cl)s2)n1 ZINC000159750095 519141754 /nfs/dbraw/zinc/14/17/54/519141754.db2.gz QDRZVXWKBFLYMZ-ZETCQYMHSA-N 0 0 317.867 3.696 10 70 DHIERN CCCn1nc(C)c(C(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000161233896 521667016 /nfs/dbraw/zinc/66/70/16/521667016.db2.gz IGJUYCAZHCNSDZ-KRWDZBQOSA-N 0 0 311.429 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