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(NCCc1cc2ccccc2[nH]1)c1c[nH]c2ccccc2c1=O ZINC000159522160 239030891 /nfs/dbraw/zinc/03/08/91/239030891.db2.gz BAXQYRGLYVISJH-UHFFFAOYSA-N 0 1 331.375 2.982 20 70 EFIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000159468939 206246762 /nfs/dbraw/zinc/24/67/62/206246762.db2.gz NXWQDVDMNCIIAN-BDAKNGLRSA-N 0 1 338.757 2.998 20 70 EFIDMN O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@@H]1CNCCO1 ZINC000159623863 206256694 /nfs/dbraw/zinc/25/66/94/206256694.db2.gz RKNMYQIGNPBOTE-KRWDZBQOSA-N 0 1 346.814 2.846 20 70 EFIDMN CCOc1ccccc1NC(=O)CCN(C)C1(C(=O)OC)CCCC1 ZINC000159498738 206248782 /nfs/dbraw/zinc/24/87/82/206248782.db2.gz IDSCKQQCMASUSE-UHFFFAOYSA-N 0 1 348.443 2.832 20 70 EFIDMN CC(C)[C@@H](CNC(=O)c1cccc2nc[nH]c21)NC(=O)OC(C)(C)C ZINC000159563130 206251031 /nfs/dbraw/zinc/25/10/31/206251031.db2.gz APYFBPXMIAEYHX-CQSZACIVSA-N 0 1 346.431 2.842 20 70 EFIDMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N(C)C[C@H](C)O)ccc2c1 ZINC000159566824 206252360 /nfs/dbraw/zinc/25/23/60/206252360.db2.gz KXDUOYMSUDCSJD-GJZGRUSLSA-N 0 1 344.455 2.508 20 70 EFIDMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000159571093 206252464 /nfs/dbraw/zinc/25/24/64/206252464.db2.gz ZGSNTNDRPXHPEV-KDOFPFPSSA-N 0 1 334.435 2.721 20 70 EFIDMN CCN(CC)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccco1 ZINC000159592101 206252493 /nfs/dbraw/zinc/25/24/93/206252493.db2.gz YRYWIHPHGPJZLA-JZXOWHBKSA-N 0 1 349.475 2.919 20 70 EFIDMN C[C@@H]1CC(=O)CC[C@H]1C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000159571361 206253402 /nfs/dbraw/zinc/25/34/02/206253402.db2.gz ZGSNTNDRPXHPEV-RDTXWAMCSA-N 0 1 334.435 2.721 20 70 EFIDMN CC[C@H](C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1)N(C)C ZINC000159820650 206265000 /nfs/dbraw/zinc/26/50/00/206265000.db2.gz GIGKBLKXLFFTAU-QGZVFWFLSA-N 0 1 331.460 2.837 20 70 EFIDMN C[C@H](C(=O)NCc1cccs1)N(C)Cc1cccc(N(C)C)c1 ZINC000159864176 206267235 /nfs/dbraw/zinc/26/72/35/206267235.db2.gz GBNODRSOERVQEP-CQSZACIVSA-N 0 1 331.485 2.951 20 70 EFIDMN C[C@@H](Sc1ccncc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159939201 206272185 /nfs/dbraw/zinc/27/21/85/206272185.db2.gz SMIXZKQDIIGHPE-NVXWUHKLSA-N 0 1 341.480 2.953 20 70 EFIDMN Cc1ccc([C@H](CNC(=O)c2ccnn2C(C)C)N2CCCC2)o1 ZINC000160134708 206280140 /nfs/dbraw/zinc/28/01/40/206280140.db2.gz SVVPDQOCAZHAHF-INIZCTEOSA-N 0 1 330.432 2.932 20 70 EFIDMN Cc1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc(Cl)n1 ZINC000160147876 206281750 /nfs/dbraw/zinc/28/17/50/206281750.db2.gz SHWNEDTUFJHWRB-UHFFFAOYSA-N 0 1 344.846 2.833 20 70 EFIDMN CCOCCC1(CNC(=O)c2c[nH]c3ccccc3c2=O)CCC1 ZINC000160150227 206282365 /nfs/dbraw/zinc/28/23/65/206282365.db2.gz LCGAGJXEEAGMMZ-UHFFFAOYSA-N 0 1 328.412 2.855 20 70 EFIDMN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nnc[nH]2)c1 ZINC000160272471 206287569 /nfs/dbraw/zinc/28/75/69/206287569.db2.gz BBUMMHSLDNRTFG-OAHLLOKOSA-N 0 1 347.422 2.728 20 70 EFIDMN O=C(CN[C@@H]1CCCOc2c(Cl)cccc21)NCC(F)(F)F ZINC000160540916 206303504 /nfs/dbraw/zinc/30/35/04/206303504.db2.gz GTASYVJEIAAOSO-LLVKDONJSA-N 0 1 336.741 2.822 20 70 EFIDMN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160613761 206306811 /nfs/dbraw/zinc/30/68/11/206306811.db2.gz SVIWMTFPOBSCPX-CZUORRHYSA-N 0 1 328.416 2.797 20 70 EFIDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(F)n1)N1CCCC1 ZINC000160997481 206322044 /nfs/dbraw/zinc/32/20/44/206322044.db2.gz WUOKCXDRQOTJEF-MRXNPFEDSA-N 0 1 343.402 2.796 20 70 EFIDMN CCN(CC)C(=O)C[C@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161112600 206329020 /nfs/dbraw/zinc/32/90/20/206329020.db2.gz DHXALKKIBXKIGU-LBPRGKRZSA-N 0 1 325.840 2.515 20 70 EFIDMN O[C@@H](C[C@H]1CCCN1c1ncnc2[nH]cnc21)c1ccc(F)cc1 ZINC000161136515 206329452 /nfs/dbraw/zinc/32/94/52/206329452.db2.gz BDTVFVAUDXJTGJ-KGLIPLIRSA-N 0 1 327.363 2.585 20 70 EFIDMN CCN(CC)C(=O)C[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1 ZINC000161112498 206329586 /nfs/dbraw/zinc/32/95/86/206329586.db2.gz DHXALKKIBXKIGU-GFCCVEGCSA-N 0 1 325.840 2.515 20 70 EFIDMN O[C@H](C[C@@H]1CCCN1c1ncnc2[nH]cnc21)c1ccc(F)cc1 ZINC000161136167 206329803 /nfs/dbraw/zinc/32/98/03/206329803.db2.gz BDTVFVAUDXJTGJ-UONOGXRCSA-N 0 1 327.363 2.585 20 70 EFIDMN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160613512 206305950 /nfs/dbraw/zinc/30/59/50/206305950.db2.gz SVIWMTFPOBSCPX-CJNGLKHVSA-N 0 1 328.416 2.797 20 70 EFIDMN COc1ccc(OCCCN2CCN(Cc3ccncc3)CC2)cc1 ZINC000161207708 206334960 /nfs/dbraw/zinc/33/49/60/206334960.db2.gz DRWYISJJPVONHO-UHFFFAOYSA-N 0 1 341.455 2.677 20 70 EFIDMN COCCOc1ccc([C@@H](C)N[C@@H](C)c2cnn(C)c2)cc1OC ZINC000161221639 206335721 /nfs/dbraw/zinc/33/57/21/206335721.db2.gz CLSRBEFMWSUXCP-KGLIPLIRSA-N 0 1 333.432 2.866 20 70 EFIDMN CN(C)[C@H](CNC(=O)N[C@H](CCO)C(C)(C)C)c1cccc(F)c1 ZINC000161262895 206337768 /nfs/dbraw/zinc/33/77/68/206337768.db2.gz AADUPVVYVPMPCV-HZPDHXFCSA-N 0 1 339.455 2.525 20 70 EFIDMN CCN(CC)[C@@H](CNC(=O)/C=C/c1cnn(C)c1C)c1ccco1 ZINC000161388932 206346566 /nfs/dbraw/zinc/34/65/66/206346566.db2.gz RAEUSELIPNHZJV-SCOAYWHSSA-N 0 1 330.432 2.534 20 70 EFIDMN CCCN(Cc1cnc2cnccn12)C[C@@H]1COc2ccccc2O1 ZINC000161416462 206346718 /nfs/dbraw/zinc/34/67/18/206346718.db2.gz ZIHCJOFRFYWIAT-MRXNPFEDSA-N 0 1 338.411 2.781 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)OC[C@H]3CCCO3)c2C)o1 ZINC000161486362 206351558 /nfs/dbraw/zinc/35/15/58/206351558.db2.gz IOHCGVFWYOSIKG-QWHCGFSZSA-N 0 1 333.388 2.809 20 70 EFIDMN COc1ccccc1O[C@H](C)CNC(=O)c1cccc2nc[nH]c21 ZINC000159728910 532952032 /nfs/dbraw/zinc/95/20/32/532952032.db2.gz CIURFBNNCCHJIM-GFCCVEGCSA-N 0 1 325.368 2.769 20 70 EFIDMN COC(=O)[C@H](C)[C@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000159791378 533214101 /nfs/dbraw/zinc/21/41/01/533214101.db2.gz WBSDDCIUBUARLR-WBMJQRKESA-N 0 1 337.379 2.843 20 70 EFIDMN CS[C@@H](C)CNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000160902738 286689333 /nfs/dbraw/zinc/68/93/33/286689333.db2.gz IVJHTZWEWCXYSG-KBPBESRZSA-N 0 1 336.505 2.658 20 70 EFIDMN Cc1nccc(NC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1Cl ZINC000159879847 544799376 /nfs/dbraw/zinc/79/93/76/544799376.db2.gz ZYNSKWXTSLMQSL-VXGBXAGGSA-N 0 1 340.855 2.664 20 70 EFIDMN C[C@H]1CC(NC(=O)NCc2ccc(CN(C)C)c(F)c2)C[C@H](C)O1 ZINC000160341368 310697795 /nfs/dbraw/zinc/69/77/95/310697795.db2.gz WPCMBCVWLVBWSM-STQMWFEESA-N 0 1 337.439 2.643 20 70 EFIDMN COC(=O)c1csc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000161109008 473207151 /nfs/dbraw/zinc/20/71/51/473207151.db2.gz XYHOYKQQSWRZJG-UHFFFAOYSA-N 0 1 337.445 2.627 20 70 EFIDMN CCN(c1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cn1)C(C)C ZINC000161401846 473232449 /nfs/dbraw/zinc/23/24/49/473232449.db2.gz KUSWZWAGZRNVHZ-ZDUSSCGKSA-N 0 1 329.448 2.709 20 70 EFIDMN O=C1[C@H](N2CC[C@H]3OCCC[C@@H]3C2)CCCN1c1ccccc1F ZINC000161447791 473235905 /nfs/dbraw/zinc/23/59/05/473235905.db2.gz NPUQHIOSIFLELH-ZTFGCOKTSA-N 0 1 332.419 2.822 20 70 EFIDMN COC(CN1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1)OC ZINC000161461477 473237164 /nfs/dbraw/zinc/23/71/64/473237164.db2.gz KWBSTPNUTSSJAG-UHFFFAOYSA-N 0 1 342.480 2.717 20 70 EFIDMN COC[C@@H](NC(=O)c1ccc(CN)o1)c1cccc(C(F)(F)F)c1 ZINC000159618158 473044267 /nfs/dbraw/zinc/04/42/67/473044267.db2.gz WZUZXUDDNZUMDC-CYBMUJFWSA-N 0 1 342.317 2.875 20 70 EFIDMN CN(C)[C@@H](CNC(=O)C[C@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658666 473048730 /nfs/dbraw/zinc/04/87/30/473048730.db2.gz HVFXAYHQNRYPIF-GJZGRUSLSA-N 0 1 342.505 2.783 20 70 EFIDMN COC(=O)c1ccc(OCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000159744576 473056793 /nfs/dbraw/zinc/05/67/93/473056793.db2.gz FQMQMPYBLOBHKE-ZFWWWQNUSA-N 0 1 341.835 2.598 20 70 EFIDMN CN1CCN(c2ccc(NC(=O)C(C)(C)C3CCCC3)nc2)CC1 ZINC000159921734 473073285 /nfs/dbraw/zinc/07/32/85/473073285.db2.gz SLTVTINIDXDCCC-UHFFFAOYSA-N 0 1 330.476 2.988 20 70 EFIDMN Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000159926075 473073484 /nfs/dbraw/zinc/07/34/84/473073484.db2.gz VKHCYTFSDMJEQM-LXXRFIIISA-N 0 1 325.412 2.950 20 70 EFIDMN C[C@@H](CNC(=O)c1cccc(-c2nnc[nH]2)c1)N1CCc2ccccc21 ZINC000159961088 473076511 /nfs/dbraw/zinc/07/65/11/473076511.db2.gz RFTKOSGALRGXCJ-AWEZNQCLSA-N 0 1 347.422 2.653 20 70 EFIDMN O=C(/C=C/c1ccc(Br)s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160101642 473087516 /nfs/dbraw/zinc/08/75/16/473087516.db2.gz JLZFPXFPVALCFW-AXUMYVEISA-N 0 1 341.274 2.877 20 70 EFIDMN CC(C)OC(=O)[C@H](C)N(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160178955 473093753 /nfs/dbraw/zinc/09/37/53/473093753.db2.gz BYABAWDRFMVFJN-AWEZNQCLSA-N 0 1 326.481 2.543 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc4c(c3)CCC(=O)N4)n2)o1 ZINC000160239307 473099429 /nfs/dbraw/zinc/09/94/29/473099429.db2.gz COBTZFAEPCUKRS-UHFFFAOYSA-N 0 1 337.339 2.510 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(Br)cn3)n2)o1 ZINC000160247498 473101173 /nfs/dbraw/zinc/10/11/73/473101173.db2.gz KEHXUMBKZWWNPI-UHFFFAOYSA-N 0 1 348.160 2.783 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCc3nc(C4CC4)no3)n2)o1 ZINC000160262944 473102737 /nfs/dbraw/zinc/10/27/37/473102737.db2.gz IEYGCICHCCSHFO-UHFFFAOYSA-N 0 1 342.359 2.595 20 70 EFIDMN O=C(c1cnc(Cc2ccc(F)cc2)s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160405326 473117993 /nfs/dbraw/zinc/11/79/93/473117993.db2.gz HMNYKYCUDRAUTO-GASCZTMLSA-N 0 1 345.443 2.840 20 70 EFIDMN CC(=O)Nc1ccc(C)c(NC(=O)c2cccc(-c3nnc[nH]3)c2)c1 ZINC000160413482 473120386 /nfs/dbraw/zinc/12/03/86/473120386.db2.gz LRJXEZOTUINNTI-UHFFFAOYSA-N 0 1 335.367 2.991 20 70 EFIDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccnc(C(C)(C)C)n2)C[C@H](C)O1 ZINC000160479774 473131405 /nfs/dbraw/zinc/13/14/05/473131405.db2.gz ZGJFZIAYCLQWQS-XHSDSOJGSA-N 0 1 332.492 2.852 20 70 EFIDMN Cc1ccc(OC2CCN(C(=O)CN(C)[C@H]3CCSC3)CC2)cc1 ZINC000160576823 473144690 /nfs/dbraw/zinc/14/46/90/473144690.db2.gz KCLAXFSKXMMJOE-INIZCTEOSA-N 0 1 348.512 2.802 20 70 EFIDMN Cn1cnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000160670993 473158937 /nfs/dbraw/zinc/15/89/37/473158937.db2.gz OUNNYGTYEXWLAH-UHFFFAOYSA-N 0 1 347.466 2.722 20 70 EFIDMN CC(C)CN1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000160684964 473160845 /nfs/dbraw/zinc/16/08/45/473160845.db2.gz DESNVIAAINNXTL-RBUKOAKNSA-N 0 1 345.487 2.890 20 70 EFIDMN CCc1nnc(CNC(C)(C)COc2ccc(C(F)(F)F)cn2)[nH]1 ZINC000160704119 473163329 /nfs/dbraw/zinc/16/33/29/473163329.db2.gz DVLRGOLBLVUIGR-UHFFFAOYSA-N 0 1 343.353 2.728 20 70 EFIDMN CCC1(C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CCCC1 ZINC000160747817 473170992 /nfs/dbraw/zinc/17/09/92/473170992.db2.gz RJKXKHGIVVFSHI-QZTJIDSGSA-N 0 1 330.472 2.708 20 70 EFIDMN COC(=O)CN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CCCC1 ZINC000160824797 473180231 /nfs/dbraw/zinc/18/02/31/473180231.db2.gz LRBIUJZMMQUYEN-UHFFFAOYSA-N 0 1 341.411 2.943 20 70 EFIDMN COC(=O)NCc1ccc(NC(=O)c2c(C)n[nH]c2C(C)C)cc1 ZINC000160838636 473180469 /nfs/dbraw/zinc/18/04/69/473180469.db2.gz ODSZCOMNEGZYLS-UHFFFAOYSA-N 0 1 330.388 2.950 20 70 EFIDMN CC(C)n1ccnc1CN1CCN(CCCOCC(F)(F)F)CC1 ZINC000160844939 473182160 /nfs/dbraw/zinc/18/21/60/473182160.db2.gz HAMJUUOKDBXJDL-UHFFFAOYSA-N 0 1 348.413 2.551 20 70 EFIDMN CS[C@@H](C)CNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000160902994 533911536 /nfs/dbraw/zinc/91/15/36/533911536.db2.gz IVJHTZWEWCXYSG-UONOGXRCSA-N 0 1 336.505 2.658 20 70 EFIDMN COC(=O)[C@@H](C)[C@@H](NC(=O)c1cccc2nc[nH]c21)c1ccccc1 ZINC000159791531 534233614 /nfs/dbraw/zinc/23/36/14/534233614.db2.gz WBSDDCIUBUARLR-BLLLJJGKSA-N 0 1 337.379 2.843 20 70 EFIDMN O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160611132 534731843 /nfs/dbraw/zinc/73/18/43/534731843.db2.gz QJYOSESBHZCKHP-IYBDPMFKSA-N 0 1 338.411 2.581 20 70 EFIDMN O=C(CCN1CCO[C@]2(CCc3ccccc32)C1)NC1CCCC1 ZINC000159610355 526492985 /nfs/dbraw/zinc/49/29/85/526492985.db2.gz ZRGFXPAVRJXSQI-HXUWFJFHSA-N 0 1 328.456 2.609 20 70 EFIDMN Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160025372 526576681 /nfs/dbraw/zinc/57/66/81/526576681.db2.gz NWGVUQDZLBOUEE-SNVBAGLBSA-N 0 1 325.372 2.610 20 70 EFIDMN CC(C)(C)c1nsc(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000160151676 526906988 /nfs/dbraw/zinc/90/69/88/526906988.db2.gz JKQNXKLXPBOQCC-GJZGRUSLSA-N 0 1 346.500 2.883 20 70 EFIDMN CCOC(=O)c1c(C)oc2nc(CN(C)CC3CCC3)nc(N)c21 ZINC000161062855 528128930 /nfs/dbraw/zinc/12/89/30/528128930.db2.gz ZSCRJDXSRVJCBQ-UHFFFAOYSA-N 0 1 332.404 2.522 20 70 EFIDMN CCCCn1ncc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)c1C ZINC000159831124 529094390 /nfs/dbraw/zinc/09/43/90/529094390.db2.gz HTNWOZIOUNYTCC-UHFFFAOYSA-N 0 1 343.406 2.980 20 70 EFIDMN CC[C@@H](CC(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccc(C)cc1 ZINC000160153978 529450992 /nfs/dbraw/zinc/45/09/92/529450992.db2.gz GKZZIGLXJYQXFM-MSOLQXFVSA-N 0 1 331.504 2.631 20 70 EFIDMN CCc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)n[nH]1 ZINC000159470103 529736998 /nfs/dbraw/zinc/73/69/98/529736998.db2.gz WESBAOQYOOOVSP-UHFFFAOYSA-N 0 1 339.365 2.708 20 70 EFIDMN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCNCC1 ZINC000159432104 225217149 /nfs/dbraw/zinc/21/71/49/225217149.db2.gz KEYVMYRXLDDAMI-UHFFFAOYSA-N 0 1 347.802 2.539 20 70 EFIDMN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000159851472 225291023 /nfs/dbraw/zinc/29/10/23/225291023.db2.gz BONFNYQZHIZRQO-ZETCQYMHSA-N 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/nfs/dbraw/zinc/33/58/40/301335840.db2.gz JPTNLSLSKTVMQI-HLLBOEOZSA-N 0 1 330.476 2.740 20 70 EFIDMN COc1cccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](C)C2)N(C)C)c1 ZINC000159863143 310692297 /nfs/dbraw/zinc/69/22/97/310692297.db2.gz UBKCJHQCBUSBGZ-DAYGRLMNSA-N 0 1 333.476 2.985 20 70 EFIDMN COc1ccc(OCCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161488388 310709908 /nfs/dbraw/zinc/70/99/08/310709908.db2.gz VWFJHPRCWAKEQN-OAHLLOKOSA-N 0 1 333.350 2.709 20 70 EFIDMN CCN(Cc1cnn(C)c1)Cc1ccc(OCc2nccn2C)cc1 ZINC000161125402 473208918 /nfs/dbraw/zinc/20/89/18/473208918.db2.gz KZSJPHXBOBRYRF-UHFFFAOYSA-N 0 1 339.443 2.755 20 70 EFIDMN Fc1ccc(OCCCN2CCN(Cc3ccncc3)CC2)cc1 ZINC000161196696 473216292 /nfs/dbraw/zinc/21/62/92/473216292.db2.gz QGZZLITVIZGIFU-UHFFFAOYSA-N 0 1 329.419 2.807 20 70 EFIDMN CCCCn1c(=O)[nH]nc1S(=O)(=O)Cc1ccc(F)cc1Cl ZINC000161201064 473216976 /nfs/dbraw/zinc/21/69/76/473216976.db2.gz LLGSCNPUQSIUAL-UHFFFAOYSA-N 0 1 347.799 2.550 20 70 EFIDMN C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000161203340 473217531 /nfs/dbraw/zinc/21/75/31/473217531.db2.gz QAVBUVXGCKEJPW-JPMUSVJPSA-N 0 1 344.480 2.780 20 70 EFIDMN CCCOc1cc(F)ccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000161294799 473224915 /nfs/dbraw/zinc/22/49/15/473224915.db2.gz MUBIOYWTRMLYLN-ZDUSSCGKSA-N 0 1 331.409 2.925 20 70 EFIDMN Cn1ncc(CN2CCN(C)C[C@@H]2c2ccccc2)c1C(F)(F)F ZINC000161343317 473228284 /nfs/dbraw/zinc/22/82/84/473228284.db2.gz KDSGOKWLMSITLY-OAHLLOKOSA-N 0 1 338.377 2.928 20 70 EFIDMN CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1COc2ccccc2O1 ZINC000161424508 473234949 /nfs/dbraw/zinc/23/49/49/473234949.db2.gz NNHWLBKGTGMPJI-OAHLLOKOSA-N 0 1 344.411 2.853 20 70 EFIDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCCCO1 ZINC000161475395 473237642 /nfs/dbraw/zinc/23/76/42/473237642.db2.gz YMDVUGMKXDAHPJ-QGZVFWFLSA-N 0 1 336.863 2.990 20 70 EFIDMN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCNCC1 ZINC000159368120 473021340 /nfs/dbraw/zinc/02/13/40/473021340.db2.gz ZRZCGJJMCUFBHG-KGLIPLIRSA-N 0 1 327.453 2.778 20 70 EFIDMN CCN(C(=O)[C@@H]1CNCCO1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000159561450 473038243 /nfs/dbraw/zinc/03/82/43/473038243.db2.gz PLNHZMQZMRRMPC-FZMZJTMJSA-N 0 1 330.350 2.603 20 70 EFIDMN CC(C)C[C@H](NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159568252 473040375 /nfs/dbraw/zinc/04/03/75/473040375.db2.gz ZAPYSZSUPMORMB-FHWLQOOXSA-N 0 1 332.488 2.983 20 70 EFIDMN C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1cccc(N(C)C)c1 ZINC000159777028 473060476 /nfs/dbraw/zinc/06/04/76/473060476.db2.gz VROJOJDRTWLROT-INIZCTEOSA-N 0 1 325.456 2.889 20 70 EFIDMN CCN(CC(=O)N[C@H](c1ccccn1)c1ccccc1OC)C1CC1 ZINC000159837181 473064566 /nfs/dbraw/zinc/06/45/66/473064566.db2.gz FHOINTGPOSUILL-FQEVSTJZSA-N 0 1 339.439 2.780 20 70 EFIDMN COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](C)C2)N(C)C)c1 ZINC000159862990 473067161 /nfs/dbraw/zinc/06/71/61/473067161.db2.gz UBKCJHQCBUSBGZ-RKVPGOIHSA-N 0 1 333.476 2.985 20 70 EFIDMN COc1cccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)N(C)C)c1 ZINC000159862740 473067695 /nfs/dbraw/zinc/06/76/95/473067695.db2.gz UBKCJHQCBUSBGZ-VKJFTORMSA-N 0 1 333.476 2.985 20 70 EFIDMN Cc1noc(Cl)c1CC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000159907237 473071433 /nfs/dbraw/zinc/07/14/33/473071433.db2.gz HREUFYSMXWJPKM-GFCCVEGCSA-N 0 1 347.846 2.742 20 70 EFIDMN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159987368 473078591 /nfs/dbraw/zinc/07/85/91/473078591.db2.gz MHEUFGPITCGCRM-NSHDSACASA-N 0 1 340.408 2.925 20 70 EFIDMN CC(C)(C)C(=O)N1CCC(CN2CCO[C@H](c3ccco3)C2)CC1 ZINC000160099626 473087089 /nfs/dbraw/zinc/08/70/89/473087089.db2.gz RJAAIHQKJKGEQG-KRWDZBQOSA-N 0 1 334.460 2.938 20 70 EFIDMN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1C ZINC000160180895 473094330 /nfs/dbraw/zinc/09/43/30/473094330.db2.gz TYGALFPMADKMID-UHFFFAOYSA-N 0 1 335.429 2.727 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3Cc4cc(C)c(C)cc4O3)n2)o1 ZINC000160211340 473097219 /nfs/dbraw/zinc/09/72/19/473097219.db2.gz AZIYWKVGWNGQGM-OAHLLOKOSA-N 0 1 338.367 2.932 20 70 EFIDMN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160344354 473110391 /nfs/dbraw/zinc/11/03/91/473110391.db2.gz LZLRJURTDPKCBC-UHFFFAOYSA-N 0 1 325.328 2.584 20 70 EFIDMN COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000160382347 473114818 /nfs/dbraw/zinc/11/48/18/473114818.db2.gz PNJUBGQVJMZMGJ-CZUORRHYSA-N 0 1 338.398 2.730 20 70 EFIDMN COc1cccc(OC)c1CC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160423317 473120869 /nfs/dbraw/zinc/12/08/69/473120869.db2.gz CMVGVIUJTUWSKK-UHFFFAOYSA-N 0 1 342.355 2.572 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(-n4ccnc4)c3)n2)o1 ZINC000160425964 473122449 /nfs/dbraw/zinc/12/24/49/473122449.db2.gz JHGDOLHVYFXZQE-UHFFFAOYSA-N 0 1 334.339 2.811 20 70 EFIDMN Cc1cccc(C(=O)N2CCN(CC3CC3)CC2)c1Br ZINC000160426623 473123038 /nfs/dbraw/zinc/12/30/38/473123038.db2.gz RPMYGAXCILZROX-UHFFFAOYSA-N 0 1 337.261 2.925 20 70 EFIDMN CCOc1ccc(OCC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160432607 473124390 /nfs/dbraw/zinc/12/43/90/473124390.db2.gz KCLLMZXQMJQECT-UHFFFAOYSA-N 0 1 342.355 2.789 20 70 EFIDMN C[C@@H]1CN(C[C@@H]2CCCN2c2cnc3ccccc3n2)C[C@@H](C)O1 ZINC000160475875 473130450 /nfs/dbraw/zinc/13/04/50/473130450.db2.gz YZPFMFVYWHZGRL-OAGGEKHMSA-N 0 1 326.444 2.708 20 70 EFIDMN C[C@H]1CN(C[C@@H]2CCCN2c2ncnc3sccc32)C[C@H](C)O1 ZINC000160472623 473130483 /nfs/dbraw/zinc/13/04/83/473130483.db2.gz OCHQTYKZLILRMF-IHRRRGAJSA-N 0 1 332.473 2.769 20 70 EFIDMN Cc1ccc(-c2nnc([C@@H](C)N3CCC(C(N)=O)CC3)o2)cc1C ZINC000160491133 473133117 /nfs/dbraw/zinc/13/31/17/473133117.db2.gz VRSRJBZZZPVICW-CYBMUJFWSA-N 0 1 328.416 2.612 20 70 EFIDMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(Br)s1 ZINC000160541608 473138826 /nfs/dbraw/zinc/13/88/26/473138826.db2.gz WFKCJXVFZQBFMV-ZCFIWIBFSA-N 0 1 345.184 2.840 20 70 EFIDMN Cc1c([C@@H](C)NC[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000160564009 473143499 /nfs/dbraw/zinc/14/34/99/473143499.db2.gz MHETVYMVZCXQBQ-MRRJBJDNSA-N 0 1 332.423 2.917 20 70 EFIDMN COc1cc([C@H](C)NCC(=O)NCC(F)(F)F)ccc1SC ZINC000160595915 473147776 /nfs/dbraw/zinc/14/77/76/473147776.db2.gz JXDLDKJWFMTXMJ-VIFPVBQESA-N 0 1 336.379 2.746 20 70 EFIDMN CC(C)(C)c1nc(CCNC(=O)c2ccc3[nH]nnc3c2)cs1 ZINC000160620631 473152361 /nfs/dbraw/zinc/15/23/61/473152361.db2.gz IQKCPTRIMRHPLN-UHFFFAOYSA-N 0 1 329.429 2.684 20 70 EFIDMN Cc1cccc(C)c1OCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160639451 473155047 /nfs/dbraw/zinc/15/50/47/473155047.db2.gz UGTGGJGRLFDICK-UHFFFAOYSA-N 0 1 336.395 2.897 20 70 EFIDMN O=C(NCCOc1cccc(Cl)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000160638230 473155199 /nfs/dbraw/zinc/15/51/99/473155199.db2.gz IPKOOFCGQNJASK-UHFFFAOYSA-N 0 1 342.786 2.934 20 70 EFIDMN CCCNC(=O)c1cccc(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000160640852 473155395 /nfs/dbraw/zinc/15/53/95/473155395.db2.gz WYJRTDHRSCVEJO-KRWDZBQOSA-N 0 1 326.444 2.727 20 70 EFIDMN Cc1noc(Cl)c1CC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000160661397 473157711 /nfs/dbraw/zinc/15/77/11/473157711.db2.gz SCMLLJHIGOZMIP-AWEZNQCLSA-N 0 1 339.798 2.737 20 70 EFIDMN CCOC(=O)c1c(C)oc2nc(CN(C)CC3CCCC3)nc(N)c21 ZINC000160730255 473167398 /nfs/dbraw/zinc/16/73/98/473167398.db2.gz QFXKWJWPZXDZMA-UHFFFAOYSA-N 0 1 346.431 2.912 20 70 EFIDMN CCC1(C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CCCC1 ZINC000160747677 473170642 /nfs/dbraw/zinc/17/06/42/473170642.db2.gz RJKXKHGIVVFSHI-ZWKOTPCHSA-N 0 1 330.472 2.708 20 70 EFIDMN CC(=O)Nc1cc(NC(=O)c2cccc(-c3nnc[nH]3)c2)ccc1C ZINC000160766101 473172875 /nfs/dbraw/zinc/17/28/75/473172875.db2.gz CKFMLUCPMXVYJI-UHFFFAOYSA-N 0 1 335.367 2.991 20 70 EFIDMN Cc1ccc(C(=O)CCN2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000160917013 473190672 /nfs/dbraw/zinc/19/06/72/473190672.db2.gz HVKAYJNZUAZSLV-LJQANCHMSA-N 0 1 341.455 2.747 20 70 EFIDMN Cc1c(CNCc2cc3c(c(Br)c2)OCO3)cnn1C ZINC000160983989 473196594 /nfs/dbraw/zinc/19/65/94/473196594.db2.gz OELBYCAQGFGCQF-UHFFFAOYSA-N 0 1 338.205 2.510 20 70 EFIDMN CC[C@@H](N[C@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995756 473197588 /nfs/dbraw/zinc/19/75/88/473197588.db2.gz MZFYLIBKUHIBBF-QMTHXVAHSA-N 0 1 327.375 2.628 20 70 EFIDMN CC[C@H](N[C@H](C)C(=O)NC(=O)NC(C)C)c1ccc(F)cc1F ZINC000160995641 473197595 /nfs/dbraw/zinc/19/75/95/473197595.db2.gz MZFYLIBKUHIBBF-YGRLFVJLSA-N 0 1 327.375 2.628 20 70 EFIDMN CCC[C@@H]1CN(C(=O)Nc2ccc(OC)cc2C)CCN1CCOC ZINC000160993447 473197757 /nfs/dbraw/zinc/19/77/57/473197757.db2.gz OFXPSDZYNDSUOD-MRXNPFEDSA-N 0 1 349.475 2.968 20 70 EFIDMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)ccc1O ZINC000217405282 474142125 /nfs/dbraw/zinc/14/21/25/474142125.db2.gz IGDSVVAANUXWDH-JTQLQIEISA-N 0 1 329.238 2.615 20 70 EFIDMN CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Br)ccc1[O-] ZINC000217405282 474142131 /nfs/dbraw/zinc/14/21/31/474142131.db2.gz IGDSVVAANUXWDH-JTQLQIEISA-N 0 1 329.238 2.615 20 70 EFIDMN CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(Br)ccc1[O-] ZINC000217405282 474142138 /nfs/dbraw/zinc/14/21/38/474142138.db2.gz IGDSVVAANUXWDH-JTQLQIEISA-N 0 1 329.238 2.615 20 70 EFIDMN COc1ccc(NC(=O)CCN2CCN(c3cccs3)CC2)cc1 ZINC000160306224 534067286 /nfs/dbraw/zinc/06/72/86/534067286.db2.gz YUSDMWDOBNNKTL-UHFFFAOYSA-N 0 1 345.468 2.908 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCOC[C@@H]3CCCO3)c2C)o1 ZINC000161426282 534199180 /nfs/dbraw/zinc/19/91/80/534199180.db2.gz QZRYNXSGZZLNIJ-ZDUSSCGKSA-N 0 1 333.388 2.811 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCNC(=O)c3ccco3)c2C)o1 ZINC000161435393 534200161 /nfs/dbraw/zinc/20/01/61/534200161.db2.gz WILGVWXDLMVKQN-UHFFFAOYSA-N 0 1 342.355 2.638 20 70 EFIDMN Cc1cnccc1CCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000159715919 534698708 /nfs/dbraw/zinc/69/87/08/534698708.db2.gz ITGRBAWZJPTOOV-GOSISDBHSA-N 0 1 344.434 2.674 20 70 EFIDMN Cc1cccc([C@@H]2CCCN2CCN2C(=O)c3ccccc3C2=O)n1 ZINC000159968831 524852771 /nfs/dbraw/zinc/85/27/71/524852771.db2.gz HSXNIBJIIBRFFW-SFHVURJKSA-N 0 1 335.407 2.823 20 70 EFIDMN CC(C)[C@@H](C(=O)Nc1nnc(Cc2cccc(F)c2)s1)N(C)C ZINC000159695880 528376417 /nfs/dbraw/zinc/37/64/17/528376417.db2.gz UVPDBLFUTKRGJU-AWEZNQCLSA-N 0 1 336.436 2.793 20 70 EFIDMN 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CC(C)Oc1ccc(CNC(=O)c2cccc(-c3nnc[nH]3)c2)cn1 ZINC000160741892 473169713 /nfs/dbraw/zinc/16/97/13/473169713.db2.gz RDAOVIOKEOMKAQ-UHFFFAOYSA-N 0 1 337.383 2.584 20 70 EFIDMN CCCCN(Cc1cccc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160755365 473171115 /nfs/dbraw/zinc/17/11/15/473171115.db2.gz VXLKCEGUUQQOLM-GOSISDBHSA-N 0 1 347.484 2.662 20 70 EFIDMN Cn1ncc2c1CCC[C@@H]2N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160785703 473174751 /nfs/dbraw/zinc/17/47/51/473174751.db2.gz ZXQCNTUHIKMVEU-ROUUACIJSA-N 0 1 338.455 2.751 20 70 EFIDMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cccc(C)n3)cc2F)c1 ZINC000160908805 473190996 /nfs/dbraw/zinc/19/09/96/473190996.db2.gz JUXAELRSMQVHHK-UHFFFAOYSA-N 0 1 346.387 2.824 20 70 EFIDMN Cc1nnc(CN2CC[C@H](CNc3cccc(C)n3)C2)n1C1CC1 ZINC000160914411 473191100 /nfs/dbraw/zinc/19/11/00/473191100.db2.gz HRWQXBRTQOOEDZ-OAHLLOKOSA-N 0 1 326.448 2.559 20 70 EFIDMN CC(C)NC(=O)CN[C@H]1CCc2c1cc(Br)cc2F ZINC000160921365 473191709 /nfs/dbraw/zinc/19/17/09/473191709.db2.gz GIDVETCQNTVDKC-ZDUSSCGKSA-N 0 1 329.213 2.690 20 70 EFIDMN CCOC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000217105670 474141530 /nfs/dbraw/zinc/14/15/30/474141530.db2.gz JXLBOLLFORRHKU-UHFFFAOYSA-N 0 1 336.435 2.937 20 70 EFIDMN CCCCCN(CC(=O)N1CCN(C)CC1)Cc1ccc(F)cc1 ZINC000216721447 520155361 /nfs/dbraw/zinc/15/53/61/520155361.db2.gz FVGZMPAMVYOWAP-UHFFFAOYSA-N 0 1 335.467 2.592 20 70 EFIDMN CCc1nc(CN2CCO[C@@H](c3cccc(OC(F)F)c3)C2)n[nH]1 ZINC000159571526 529736961 /nfs/dbraw/zinc/73/69/61/529736961.db2.gz HZDKOSDRWQWYKB-CYBMUJFWSA-N 0 1 338.358 2.542 20 70 EFIDMN CN(CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159775789 529839094 /nfs/dbraw/zinc/83/90/94/529839094.db2.gz HOVNSEFCBYCHMB-RISCZKNCSA-N 0 1 330.350 2.737 20 70 EFIDMN COCCN(CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)CC(C)C ZINC000160581405 239054347 /nfs/dbraw/zinc/05/43/47/239054347.db2.gz QOFUWKAYWPPOKS-UHFFFAOYSA-N 0 1 346.427 2.742 20 70 EFIDMN O=C(NCC1(c2cccc(Br)c2)CCCC1)c1cnn[nH]1 ZINC000160836924 239057223 /nfs/dbraw/zinc/05/72/23/239057223.db2.gz ROMKFKVPNHIWIL-UHFFFAOYSA-N 0 1 349.232 2.809 20 70 EFIDMN C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](C)C1 ZINC000218674743 241337406 /nfs/dbraw/zinc/33/74/06/241337406.db2.gz BOFMBBPXGKGGPP-HUUCEWRRSA-N 0 1 329.444 2.872 20 70 EFIDMN Cc1cc(CN2CCC(CC(N)=O)CC2)ccc1Br ZINC000159745850 533594569 /nfs/dbraw/zinc/59/45/69/533594569.db2.gz NJDDARCEORVVQR-UHFFFAOYSA-N 0 1 325.250 2.845 20 70 EFIDMN COc1cccc(NC(=O)CCN2CCN(c3cccs3)CC2)c1 ZINC000160311688 533595616 /nfs/dbraw/zinc/59/56/16/533595616.db2.gz NGYZLFOTOGCMGO-UHFFFAOYSA-N 0 1 345.468 2.908 20 70 EFIDMN CN(C)[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1cccc(F)c1 ZINC000159494819 225227713 /nfs/dbraw/zinc/22/77/13/225227713.db2.gz OFFWSEYBRVZTAD-KSZLIROESA-N 0 1 349.450 2.685 20 70 EFIDMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCCN(c2ccccc2)C1=O ZINC000159564131 225240079 /nfs/dbraw/zinc/24/00/79/225240079.db2.gz DSEJPIVDGQBRQF-KRWDZBQOSA-N 0 1 348.406 2.831 20 70 EFIDMN CN(C)[C@H](CNC(=O)C[C@H]1CSCCS1)c1ccc(F)cc1 ZINC000159658795 225256801 /nfs/dbraw/zinc/25/68/01/225256801.db2.gz HVFXAYHQNRYPIF-LSDHHAIUSA-N 0 1 342.505 2.783 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCCC4)nc3)n2)o1 ZINC000160297644 225384007 /nfs/dbraw/zinc/38/40/07/225384007.db2.gz NTEYZGPTXYTHIT-UHFFFAOYSA-N 0 1 338.371 2.621 20 70 EFIDMN Cc1ccc([C@@H](CNC(=O)c2ccnn2C(C)C)N2CCCC2)o1 ZINC000160134575 225344604 /nfs/dbraw/zinc/34/46/04/225344604.db2.gz SVVPDQOCAZHAHF-MRXNPFEDSA-N 0 1 330.432 2.932 20 70 EFIDMN CCn1nccc1CN[C@@H](C)c1ccc(OCCOC)c(OC)c1 ZINC000160024051 544801856 /nfs/dbraw/zinc/80/18/56/544801856.db2.gz DGDXBAVGOIQIOR-AWEZNQCLSA-N 0 1 333.432 2.788 20 70 EFIDMN CS(=O)(=O)CCCCN(Cc1cccs1)C[C@H]1CCCO1 ZINC000161242973 544810926 /nfs/dbraw/zinc/81/09/26/544810926.db2.gz WBIQTDZBBDNHKV-CQSZACIVSA-N 0 1 331.503 2.554 20 70 EFIDMN C[C@H]1CN(CCCNC(=O)c2nc3ccccc3s2)C[C@H](C)O1 ZINC000160787091 310702764 /nfs/dbraw/zinc/70/27/64/310702764.db2.gz DXZSSRAWYOWBKS-STQMWFEESA-N 0 1 333.457 2.525 20 70 EFIDMN CCCC[C@@H]1CCC[C@H]1NS(=O)(=O)c1scnc1C(=O)OC 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70 EFIDMN COc1ccc2nc(C)cc(C(=O)N[C@H](C)Cc3cc(C)[nH]n3)c2c1 ZINC000161432528 473235462 /nfs/dbraw/zinc/23/54/62/473235462.db2.gz SEWGQIZUCGIDBZ-LLVKDONJSA-N 0 1 338.411 2.944 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)CCn3c(C)csc3=O)c2C)o1 ZINC000161438157 473235481 /nfs/dbraw/zinc/23/54/81/473235481.db2.gz NHRYCINQCNODOY-UHFFFAOYSA-N 0 1 346.412 2.847 20 70 EFIDMN COC(=O)N1CCC[C@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1 ZINC000161481780 473238763 /nfs/dbraw/zinc/23/87/63/473238763.db2.gz QWQDLKJVTPTFOH-LBPRGKRZSA-N 0 1 346.387 2.703 20 70 EFIDMN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1Cc2ccccc2CN1 ZINC000161505889 473240852 /nfs/dbraw/zinc/24/08/52/473240852.db2.gz VJBYJCWPEPVSDS-OALUTQOASA-N 0 1 338.407 2.507 20 70 EFIDMN COc1ccc(Cl)cc1NCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159365989 473021644 /nfs/dbraw/zinc/02/16/44/473021644.db2.gz QJSPRMWPRRBKNO-OKILXGFUSA-N 0 1 337.851 2.504 20 70 EFIDMN COC(=O)c1cc(OC)ccc1NC(=O)c1cccc2nc[nH]c21 ZINC000159376088 473023304 /nfs/dbraw/zinc/02/33/04/473023304.db2.gz YWNSZELWOBTROH-UHFFFAOYSA-N 0 1 325.324 2.610 20 70 EFIDMN CCOc1ccc(/C=C/C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1OCC ZINC000159572706 473039550 /nfs/dbraw/zinc/03/95/50/473039550.db2.gz GTFGKGJZKQPSNC-AVWSTVSLSA-N 0 1 344.455 2.850 20 70 EFIDMN C[C@@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000159576359 473040443 /nfs/dbraw/zinc/04/04/43/473040443.db2.gz FGVARNIVRPNSOD-KGLIPLIRSA-N 0 1 348.443 2.758 20 70 EFIDMN CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cnn1-c1ccc(F)cc1 ZINC000159736984 473056618 /nfs/dbraw/zinc/05/66/18/473056618.db2.gz BSSZZTHMTFECLK-GASCZTMLSA-N 0 1 342.418 2.540 20 70 EFIDMN Cc1cc(CN2CCC(CC(N)=O)CC2)c(OC(F)F)cc1C ZINC000159831757 473064716 /nfs/dbraw/zinc/06/47/16/473064716.db2.gz CSVBQHYPFSTIEU-UHFFFAOYSA-N 0 1 326.387 2.992 20 70 EFIDMN O=C(Nc1cccc(N2CCOC2=O)c1)c1cccc(-c2nnc[nH]2)c1 ZINC000159902887 473072008 /nfs/dbraw/zinc/07/20/08/473072008.db2.gz IMXIKCQPPHBPLQ-UHFFFAOYSA-N 0 1 349.350 2.681 20 70 EFIDMN CCOC(=O)N[C@H](CNC(=O)c1c(C)n[nH]c1C(C)C)CC(C)C ZINC000159955702 473076138 /nfs/dbraw/zinc/07/61/38/473076138.db2.gz WAKPEGSKSRPZGQ-ZDUSSCGKSA-N 0 1 338.452 2.732 20 70 EFIDMN C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159987504 473078562 /nfs/dbraw/zinc/07/85/62/473078562.db2.gz MHEUFGPITCGCRM-LLVKDONJSA-N 0 1 340.408 2.925 20 70 EFIDMN COc1ccc(N(C)C(=O)c2cccc(-c3nnc[nH]3)c2)c(OC)c1 ZINC000160078988 473085561 /nfs/dbraw/zinc/08/55/61/473085561.db2.gz RYLQBWKZOLRSHS-UHFFFAOYSA-N 0 1 338.367 2.766 20 70 EFIDMN COc1ccc(OC)c(CC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160184282 473094857 /nfs/dbraw/zinc/09/48/57/473094857.db2.gz ZUFUAGJZQMEGKC-UHFFFAOYSA-N 0 1 342.355 2.572 20 70 EFIDMN COc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc(OC)c1C ZINC000160243289 473101359 /nfs/dbraw/zinc/10/13/59/473101359.db2.gz DTBMYONMXRZMLW-UHFFFAOYSA-N 0 1 342.355 2.951 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)OCc3ccccc3)n2)o1 ZINC000160303047 473104770 /nfs/dbraw/zinc/10/47/70/473104770.db2.gz CMNHISULBJXZRK-GFCCVEGCSA-N 0 1 326.356 2.917 20 70 EFIDMN O=C([C@H]1Cc2ccccc2CN1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160389511 473115881 /nfs/dbraw/zinc/11/58/81/473115881.db2.gz JFFUHOBSPIKMAP-OXQOHEQNSA-N 0 1 338.426 2.931 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(-n4cccn4)c3)n2)o1 ZINC000160425841 473122543 /nfs/dbraw/zinc/12/25/43/473122543.db2.gz SGXFSOZCUIXGKT-UHFFFAOYSA-N 0 1 334.339 2.811 20 70 EFIDMN CC1CCN(C(=O)C2CCN(Cc3cnc4ccccn34)CC2)CC1 ZINC000160429768 473123181 /nfs/dbraw/zinc/12/31/81/473123181.db2.gz DEJNSKOSRUDCFD-UHFFFAOYSA-N 0 1 340.471 2.805 20 70 EFIDMN COc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c(OC)c1 ZINC000160434647 473124573 /nfs/dbraw/zinc/12/45/73/473124573.db2.gz QKKWEJJZJOZAJN-UHFFFAOYSA-N 0 1 328.328 2.643 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cn(-c4cccc(C)c4)nn3)n2)o1 ZINC000160440760 473125744 /nfs/dbraw/zinc/12/57/44/473125744.db2.gz HAWYDBWSHPVVCL-UHFFFAOYSA-N 0 1 349.354 2.515 20 70 EFIDMN CCC[C@H]1CN(C(=O)Nc2cccc(F)c2F)CCN1CCOC ZINC000160465551 473128810 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CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000161428505 473234986 /nfs/dbraw/zinc/23/49/86/473234986.db2.gz ZQLDQYUVTNJRSR-WMZOPIPTSA-N 0 1 337.435 2.754 20 70 EFIDMN CC(C)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n[nH]1 ZINC000161477955 473238961 /nfs/dbraw/zinc/23/89/61/473238961.db2.gz JRUUMEYEXDJNQW-GFCCVEGCSA-N 0 1 336.436 2.615 20 70 EFIDMN COC(=O)N1CCC[C@@H](C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)C1 ZINC000161481688 473239166 /nfs/dbraw/zinc/23/91/66/473239166.db2.gz QWQDLKJVTPTFOH-GFCCVEGCSA-N 0 1 346.387 2.703 20 70 EFIDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000159380879 473023731 /nfs/dbraw/zinc/02/37/31/473023731.db2.gz RTKBTNOITPYDDB-SNVBAGLBSA-N 0 1 328.372 2.813 20 70 EFIDMN C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(CC2CC2)CC1 ZINC000159406902 473025685 /nfs/dbraw/zinc/02/56/85/473025685.db2.gz LGVGPNYYWPTSFF-OAHLLOKOSA-N 0 1 326.444 2.749 20 70 EFIDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000159416787 473027046 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COc1ccc2oc([C@@H]3NC(=N)Nc4nc5ccccc5n43)cc2c1 ZINC000160233877 473098909 /nfs/dbraw/zinc/09/89/09/473098909.db2.gz UOHHYHNRIPGOQP-MRXNPFEDSA-N 0 1 333.351 2.887 20 70 EFIDMN O=C(/C=C/c1csc(Br)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160239532 473099349 /nfs/dbraw/zinc/09/93/49/473099349.db2.gz PTHYQKHEIJQYKH-AHWSKYQCSA-N 0 1 341.274 2.877 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(-n4cncn4)c(C)c3)n2)o1 ZINC000160245946 473100489 /nfs/dbraw/zinc/10/04/89/473100489.db2.gz KCFXHDNTGBEDKZ-UHFFFAOYSA-N 0 1 349.354 2.515 20 70 EFIDMN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160270547 473103049 /nfs/dbraw/zinc/10/30/49/473103049.db2.gz CCGKFGNVRZIFTI-UHFFFAOYSA-N 0 1 328.328 2.643 20 70 EFIDMN CCc1ccccc1OCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160290282 473105056 /nfs/dbraw/zinc/10/50/56/473105056.db2.gz ZARWUUSRFKSZDD-UHFFFAOYSA-N 0 1 326.356 2.953 20 70 EFIDMN COc1cccc(-c2cc(C(=O)N(C)C[C@@H]3CCCCO3)n[nH]2)c1 ZINC000160380927 473114771 /nfs/dbraw/zinc/11/47/71/473114771.db2.gz COJCBXYAMXXVEM-HNNXBMFYSA-N 0 1 329.400 2.726 20 70 EFIDMN O=C([C@@H]1Cc2ccccc2CN1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000160389637 473116112 /nfs/dbraw/zinc/11/61/12/473116112.db2.gz JFFUHOBSPIKMAP-UZLBHIALSA-N 0 1 338.426 2.931 20 70 EFIDMN Cc1cccc2nc(CNC(=O)C3(NC(=O)OC(C)(C)C)CC3)[nH]c21 ZINC000160446161 473126378 /nfs/dbraw/zinc/12/63/78/473126378.db2.gz DJJKUOKLWQERJO-UHFFFAOYSA-N 0 1 344.415 2.545 20 70 EFIDMN Cc1n[nH]c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1C ZINC000160474152 473130189 /nfs/dbraw/zinc/13/01/89/473130189.db2.gz AMTNJLDSBJSYDR-UHFFFAOYSA-N 0 1 348.197 2.729 20 70 EFIDMN O=C(CN[C@H]1CCCOc2c(Cl)cccc21)NCC(F)(F)F ZINC000160540771 473139135 /nfs/dbraw/zinc/13/91/35/473139135.db2.gz GTASYVJEIAAOSO-NSHDSACASA-N 0 1 336.741 2.822 20 70 EFIDMN Cc1ccc(OC2CCN(C(=O)CN(C)[C@@H]3CCSC3)CC2)cc1 ZINC000160576691 473145490 /nfs/dbraw/zinc/14/54/90/473145490.db2.gz KCLAXFSKXMMJOE-MRXNPFEDSA-N 0 1 348.512 2.802 20 70 EFIDMN Cc1cccc2nc(CNC(=O)[C@@H]3CC(=O)Nc4ccccc43)[nH]c21 ZINC000160587453 473146457 /nfs/dbraw/zinc/14/64/57/473146457.db2.gz HTHJLCRCMIUELE-CYBMUJFWSA-N 0 1 334.379 2.614 20 70 EFIDMN COc1cc(Cl)c(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000160590348 473147897 /nfs/dbraw/zinc/14/78/97/473147897.db2.gz GKLBRACJGGOOAT-SECBINFHSA-N 0 1 337.807 2.750 20 70 EFIDMN COc1cc(Cl)c(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000160590482 473148399 /nfs/dbraw/zinc/14/83/99/473148399.db2.gz GKLBRACJGGOOAT-VIFPVBQESA-N 0 1 337.807 2.750 20 70 EFIDMN C[C@H](Nc1ccc(CCN2CCOCC2)cc1)C(=O)OC(C)(C)C ZINC000160807537 473177510 /nfs/dbraw/zinc/17/75/10/473177510.db2.gz DWJAJQGTDHUUBR-HNNXBMFYSA-N 0 1 334.460 2.703 20 70 EFIDMN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCN(CC2CC2)CC1 ZINC000160882492 473187486 /nfs/dbraw/zinc/18/74/86/473187486.db2.gz VXBYEZDZXBRSNP-RTBURBONSA-N 0 1 343.471 2.644 20 70 EFIDMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cccnc3)cc2F)c1 ZINC000160899322 473188335 /nfs/dbraw/zinc/18/83/35/473188335.db2.gz PUARDSGRIGZDFZ-UHFFFAOYSA-N 0 1 332.360 2.516 20 70 EFIDMN Cc1c([C@H](C)NCC(=O)NC(C)C)cnn1-c1cc(C)ccc1C ZINC000160911296 473190356 /nfs/dbraw/zinc/19/03/56/473190356.db2.gz HQDPNGAKHHHKRK-HNNXBMFYSA-N 0 1 328.460 2.973 20 70 EFIDMN CCc1ncc(NC(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)cn1 ZINC000160954394 473194510 /nfs/dbraw/zinc/19/45/10/473194510.db2.gz TUDNSKQVZZWNMS-UHFFFAOYSA-N 0 1 337.383 2.998 20 70 EFIDMN CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Br)cc1[O-] ZINC000217406921 474141327 /nfs/dbraw/zinc/14/13/27/474141327.db2.gz KHSLMNLYNOCWNH-SNVBAGLBSA-N 0 1 329.238 2.615 20 70 EFIDMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Br)cc1[O-] ZINC000217406921 474141333 /nfs/dbraw/zinc/14/13/33/474141333.db2.gz KHSLMNLYNOCWNH-SNVBAGLBSA-N 0 1 329.238 2.615 20 70 EFIDMN CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Br)cc1O ZINC000217406921 474141318 /nfs/dbraw/zinc/14/13/18/474141318.db2.gz KHSLMNLYNOCWNH-SNVBAGLBSA-N 0 1 329.238 2.615 20 70 EFIDMN COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)[C@H]1CNCCO1 ZINC000160366963 533886082 /nfs/dbraw/zinc/88/60/82/533886082.db2.gz YXOFVEPNXPCBBP-GOEBONIOSA-N 0 1 340.851 2.540 20 70 EFIDMN COc1cc(Cl)c(C)cc1NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159811244 533928394 /nfs/dbraw/zinc/92/83/94/533928394.db2.gz WCDBPOPLQHFTAH-WFASDCNBSA-N 0 1 340.851 2.688 20 70 EFIDMN C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000159563972 534162365 /nfs/dbraw/zinc/16/23/65/534162365.db2.gz POZGTEIVDFQEIG-YOEHRIQHSA-N 0 1 334.435 2.721 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)CSC[C@H]3CCCCO3)n2)o1 ZINC000160315855 534225360 /nfs/dbraw/zinc/22/53/60/534225360.db2.gz WIARRLAEEXXGLG-LLVKDONJSA-N 0 1 336.417 2.614 20 70 EFIDMN O=C(c1ccc(-n2cnc3ccccc32)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159636647 534687911 /nfs/dbraw/zinc/68/79/11/534687911.db2.gz CCGYYWVJWGIVJH-CALCHBBNSA-N 0 1 346.434 2.992 20 70 EFIDMN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cccc(F)c1 ZINC000161024939 534872088 /nfs/dbraw/zinc/87/20/88/534872088.db2.gz DULIZDNIVCTWOG-ZDUSSCGKSA-N 0 1 337.372 2.794 20 70 EFIDMN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1cccc2nc[nH]c21 ZINC000159399350 526444375 /nfs/dbraw/zinc/44/43/75/526444375.db2.gz CTKLJCFLDUREQR-UHFFFAOYSA-N 0 1 332.404 2.596 20 70 EFIDMN CCN(CC)[C@@H](CNC(=O)NCCc1ccncc1C)c1ccco1 ZINC000160215431 528239326 /nfs/dbraw/zinc/23/93/26/528239326.db2.gz PEONMQPMUKTSFZ-KRWDZBQOSA-N 0 1 344.459 2.908 20 70 EFIDMN CCC(=O)c1cccc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 ZINC000160750750 528478079 /nfs/dbraw/zinc/47/80/79/528478079.db2.gz ARQQQDUWWOHIFL-UHFFFAOYSA-N 0 1 346.408 2.903 20 70 EFIDMN CCC[C@@H](N[C@@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174284 529018498 /nfs/dbraw/zinc/01/84/98/529018498.db2.gz YZFWRCFMQBVPRQ-XJKSGUPXSA-N 0 1 346.500 2.886 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)NC(=O)c3ccco3)c2C)o1 ZINC000161362466 239068351 /nfs/dbraw/zinc/06/83/51/239068351.db2.gz VUPYRRZRVIKIAW-NSHDSACASA-N 0 1 342.355 2.637 20 70 EFIDMN CS(=O)(=O)NCC[C@H]1CCCCN1C/C=C/c1ccc(F)cc1 ZINC000159432546 206245490 /nfs/dbraw/zinc/24/54/90/206245490.db2.gz DJCFGKVYMSCSHX-LAQIPUCWSA-N 0 1 340.464 2.633 20 70 EFIDMN 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0 1 338.517 2.995 20 70 EFIDMN CC(C)(C)c1nsc(NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n1 ZINC000160151954 526907072 /nfs/dbraw/zinc/90/70/72/526907072.db2.gz JKQNXKLXPBOQCC-LSDHHAIUSA-N 0 1 346.500 2.883 20 70 EFIDMN CCC[C@H](N[C@@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174181 528234345 /nfs/dbraw/zinc/23/43/45/528234345.db2.gz YZFWRCFMQBVPRQ-BBRMVZONSA-N 0 1 346.500 2.886 20 70 EFIDMN CN(CCOc1ccc(F)cc1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000160360987 529925682 /nfs/dbraw/zinc/92/56/82/529925682.db2.gz BCQJABFLUFZWFQ-AWEZNQCLSA-N 0 1 348.340 2.690 20 70 EFIDMN CN(C)[C@@H](CNC(=O)c1cccc2nc[nH]c21)c1c(F)cccc1F ZINC000159557856 239029637 /nfs/dbraw/zinc/02/96/37/239029637.db2.gz GDBYUYOMFGJTHY-HNNXBMFYSA-N 0 1 344.365 2.874 20 70 EFIDMN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCNCC1 ZINC000159368376 284460272 /nfs/dbraw/zinc/46/02/72/284460272.db2.gz ZRZCGJJMCUFBHG-ZIAGYGMSSA-N 0 1 327.453 2.778 20 70 EFIDMN COCCC1(C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CCC1 ZINC000159648832 533181828 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Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCn4ccnc4C3)[nH]c2c1 ZINC000161013375 544809890 /nfs/dbraw/zinc/80/98/90/544809890.db2.gz XEZQZIVGMNOLAD-PBHICJAKSA-N 0 1 349.438 2.994 20 70 EFIDMN CC1(C)Cc2cccc([C@@H]3NC(=N)Nc4nc5ccccc5n43)c2O1 ZINC000161436644 275873161 /nfs/dbraw/zinc/87/31/61/275873161.db2.gz SVIPMCXRZSWFGZ-MRXNPFEDSA-N 0 1 333.395 2.846 20 70 EFIDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H]3CCn4ccnc4C3)[nH]c2c1 ZINC000161013618 281025772 /nfs/dbraw/zinc/02/57/72/281025772.db2.gz XEZQZIVGMNOLAD-YOEHRIQHSA-N 0 1 349.438 2.994 20 70 EFIDMN CCN(C(C)=O)c1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159668649 310689902 /nfs/dbraw/zinc/68/99/02/310689902.db2.gz RDFLRKDSQOVVOA-KFWWJZLASA-N 0 1 335.473 2.563 20 70 EFIDMN CN(CC(=O)Nc1ccccc1Br)[C@@H]1CCCC[C@@H]1O ZINC000161083981 473205303 /nfs/dbraw/zinc/20/53/03/473205303.db2.gz CFTUSVGYKAAPKQ-KGLIPLIRSA-N 0 1 341.249 2.623 20 70 EFIDMN CCN1CCC(NS(=O)(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000161136781 473211289 /nfs/dbraw/zinc/21/12/89/473211289.db2.gz WPYXLNUBYBTRIM-UHFFFAOYSA-N 0 1 330.519 2.808 20 70 EFIDMN COc1ccc2nc(C)cc(C(=O)N3CCN(CC4CC4)CC3)c2c1 ZINC000161131448 473209947 /nfs/dbraw/zinc/20/99/47/473209947.db2.gz WDIAUYINMIJAJI-UHFFFAOYSA-N 0 1 339.439 2.720 20 70 EFIDMN Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)c(Br)c1 ZINC000161134705 473210008 /nfs/dbraw/zinc/21/00/08/473210008.db2.gz MBMQAOFWACNSHZ-UHFFFAOYSA-N 0 1 337.261 2.925 20 70 EFIDMN CCCC[C@H]1CCC[C@H]1NS(=O)(=O)c1scnc1C(=O)OC ZINC000161135807 473211316 /nfs/dbraw/zinc/21/13/16/473211316.db2.gz IEKORCZYSVGDDN-WDEREUQCSA-N 0 1 346.474 2.567 20 70 EFIDMN C[C@@H](CNC(=O)[C@@H]1NCCc2ccccc21)Oc1cccc(F)c1 ZINC000161152190 473212049 /nfs/dbraw/zinc/21/20/49/473212049.db2.gz OLWIEIPOOZHIFU-SCLBCKFNSA-N 0 1 328.387 2.596 20 70 EFIDMN C[C@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)NCc1ccccc1 ZINC000161203430 473217475 /nfs/dbraw/zinc/21/74/75/473217475.db2.gz QAVBUVXGCKEJPW-ISQRANHSSA-N 0 1 344.480 2.780 20 70 EFIDMN CC(C)Sc1ccccc1NC(=O)C(=O)NCCN1CCCCC1 ZINC000161189128 473215811 /nfs/dbraw/zinc/21/58/11/473215811.db2.gz XFBHSWGTTYPIMS-UHFFFAOYSA-N 0 1 349.500 2.728 20 70 EFIDMN COCc1nc2n(n1)C[C@@H](Nc1ccnc3cc(F)ccc31)CC2 ZINC000161336153 473227065 /nfs/dbraw/zinc/22/70/65/473227065.db2.gz WEQJBFWJARSLHN-LBPRGKRZSA-N 0 1 327.363 2.539 20 70 EFIDMN CCN(CC)[C@@H](CNC(=O)Cc1c(C)noc1Cl)c1ccco1 ZINC000161410206 473233465 /nfs/dbraw/zinc/23/34/65/473233465.db2.gz ALTVXTKLRQCNDK-ZDUSSCGKSA-N 0 1 339.823 2.971 20 70 EFIDMN CCC[N@H+](Cc1cnc2cnccn12)C[C@H]1COc2ccccc2O1 ZINC000161416576 473233484 /nfs/dbraw/zinc/23/34/84/473233484.db2.gz ZIHCJOFRFYWIAT-INIZCTEOSA-N 0 1 338.411 2.781 20 70 EFIDMN CCCN(Cc1cnc2cnccn12)C[C@H]1COc2ccccc2O1 ZINC000161416576 473233487 /nfs/dbraw/zinc/23/34/87/473233487.db2.gz ZIHCJOFRFYWIAT-INIZCTEOSA-N 0 1 338.411 2.781 20 70 EFIDMN C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(Br)s1 ZINC000159395581 473024898 /nfs/dbraw/zinc/02/48/98/473024898.db2.gz RMGUTZUWKWNASA-GARJFASQSA-N 0 1 343.290 2.967 20 70 EFIDMN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(CC2CC2)CC1 ZINC000159406751 473025404 /nfs/dbraw/zinc/02/54/04/473025404.db2.gz LGVGPNYYWPTSFF-HNNXBMFYSA-N 0 1 326.444 2.749 20 70 EFIDMN O=C(CCCc1nc2ccccc2s1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159411343 473025620 /nfs/dbraw/zinc/02/56/20/473025620.db2.gz MVXCPAGDPSASBG-OKILXGFUSA-N 0 1 329.469 2.972 20 70 EFIDMN Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)C[C@@H]1CCC[C@@H]1O ZINC000159442351 473028843 /nfs/dbraw/zinc/02/88/43/473028843.db2.gz RSCSFOHZVROCLM-LPHOPBHVSA-N 0 1 345.487 2.627 20 70 EFIDMN CC(C)[C@H]1CN(C)CCN1C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000159466986 473029246 /nfs/dbraw/zinc/02/92/46/473029246.db2.gz ITGLSNKVAVZUKK-DOTOQJQBSA-N 0 1 331.460 2.534 20 70 EFIDMN CC[C@H](C)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)on1 ZINC000159537644 473037145 /nfs/dbraw/zinc/03/71/45/473037145.db2.gz JTZSRQVUJACYEW-ZDUSSCGKSA-N 0 1 343.431 2.587 20 70 EFIDMN CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159691381 473052672 /nfs/dbraw/zinc/05/26/72/473052672.db2.gz JAZWTBRURREFJA-LNMJFAINSA-N 0 1 332.488 2.908 20 70 EFIDMN Cc1c(CNC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)cnn1C ZINC000159758806 473058257 /nfs/dbraw/zinc/05/82/57/473058257.db2.gz ZPEVKJKLXLCGEL-HXUWFJFHSA-N 0 1 326.488 2.901 20 70 EFIDMN O=C(c1cccc2[nH]cnc21)N1CCN(c2cc(F)ccc2F)CC1 ZINC000159821544 473063170 /nfs/dbraw/zinc/06/31/70/473063170.db2.gz NGMGLWMWPFVZRR-UHFFFAOYSA-N 0 1 342.349 2.804 20 70 EFIDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000159815647 473063218 /nfs/dbraw/zinc/06/32/18/473063218.db2.gz VFVPCSOLTFVZPG-LBPRGKRZSA-N 0 1 344.415 2.644 20 70 EFIDMN COC(=O)CCCOc1ccc(NC(=O)[C@H](N)c2ccccc2)cc1 ZINC000159830048 473064843 /nfs/dbraw/zinc/06/48/43/473064843.db2.gz FCEBTWSLHSAUPL-GOSISDBHSA-N 0 1 342.395 2.657 20 70 EFIDMN CCOCc1ccccc1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159860827 473067034 /nfs/dbraw/zinc/06/70/34/473067034.db2.gz DPVDHZYWYPXTTL-UHFFFAOYSA-N 0 1 336.395 2.938 20 70 EFIDMN CN(CC(=O)NCC1(c2ccccc2)CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159871712 473068884 /nfs/dbraw/zinc/06/88/84/473068884.db2.gz NBVWJMMASYCINR-HKUYNNGSSA-N 0 1 344.499 2.707 20 70 EFIDMN CCCC1(CNC(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CCC1 ZINC000159909421 473071504 /nfs/dbraw/zinc/07/15/04/473071504.db2.gz CZFLIZQMEOJAKF-KRWDZBQOSA-N 0 1 338.540 2.528 20 70 EFIDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCc1cc(F)cc2c1OCOC2 ZINC000160037558 473083212 /nfs/dbraw/zinc/08/32/12/473083212.db2.gz PPSDZCMTFXYUFO-UHFFFAOYSA-N 0 1 347.390 2.820 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)n(C(C)(C)C)n3)n2)o1 ZINC000160179079 473093546 /nfs/dbraw/zinc/09/35/46/473093546.db2.gz QNPAOWYELAWJGU-UHFFFAOYSA-N 0 1 328.376 2.885 20 70 EFIDMN CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000160184419 473095308 /nfs/dbraw/zinc/09/53/08/473095308.db2.gz BDOJTVKIYQSFIL-UHFFFAOYSA-N 0 1 339.355 2.513 20 70 EFIDMN C[C@@]1(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)CCCS1 ZINC000160240696 473099653 /nfs/dbraw/zinc/09/96/53/473099653.db2.gz PPUJECSRTUMTOA-SFHVURJKSA-N 0 1 333.501 2.630 20 70 EFIDMN C[C@@]1(CNC(=O)NCCN2CCc3ccccc3C2)CCCS1 ZINC000160240696 473099659 /nfs/dbraw/zinc/09/96/59/473099659.db2.gz PPUJECSRTUMTOA-SFHVURJKSA-N 0 1 333.501 2.630 20 70 EFIDMN COc1cc(C)ccc1OCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160257101 473102019 /nfs/dbraw/zinc/10/20/19/473102019.db2.gz SZGNRCXQXRVCSF-UHFFFAOYSA-N 0 1 342.355 2.708 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)COCCc3ccccc3)n2)o1 ZINC000160355724 473111243 /nfs/dbraw/zinc/11/12/43/473111243.db2.gz LMJUFOFZPLQJCY-UHFFFAOYSA-N 0 1 326.356 2.571 20 70 EFIDMN CCc1nc(CN[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000160391632 473117107 /nfs/dbraw/zinc/11/71/07/473117107.db2.gz AYQVWJCSVJHECP-LLVKDONJSA-N 0 1 328.395 2.851 20 70 EFIDMN O=C(Cc1csc(-c2cccc(F)c2)n1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160409904 473120011 /nfs/dbraw/zinc/12/00/11/473120011.db2.gz DGJGKNPYTAPKMG-GASCZTMLSA-N 0 1 345.443 2.845 20 70 EFIDMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCc1ccc(Cl)nc1 ZINC000160474964 473129369 /nfs/dbraw/zinc/12/93/69/473129369.db2.gz SPVBKVPLCVQXPL-OAHLLOKOSA-N 0 1 338.883 2.841 20 70 EFIDMN CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC1(CCOC)CCC1 ZINC000160472739 473130327 /nfs/dbraw/zinc/13/03/27/473130327.db2.gz HVVGLUFFGSHMEI-INIZCTEOSA-N 0 1 325.497 2.757 20 70 EFIDMN Cc1c([C@H](C)NC[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(F)cc1 ZINC000160564133 473143010 /nfs/dbraw/zinc/14/30/10/473143010.db2.gz MHETVYMVZCXQBQ-QEORTHHSSA-N 0 1 332.423 2.917 20 70 EFIDMN CC[C@@H](C)CN(CC)Cc1nnc2n1c1ccccc1c(=O)n2CC ZINC000160567114 473143857 /nfs/dbraw/zinc/14/38/57/473143857.db2.gz GFFAINSTEGTSSR-CQSZACIVSA-N 0 1 341.459 2.932 20 70 EFIDMN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160635179 473155165 /nfs/dbraw/zinc/15/51/65/473155165.db2.gz XLPHFWFDFIDXIB-WCFLWFBJSA-N 0 1 326.799 2.599 20 70 EFIDMN Nc1nc(N[C@H]2CCO[C@@H](c3ccccc3)C2)cc(-n2cccn2)n1 ZINC000160660348 473158231 /nfs/dbraw/zinc/15/82/31/473158231.db2.gz JQODSGHNDSMRMD-LSDHHAIUSA-N 0 1 336.399 2.577 20 70 EFIDMN COC(=O)c1ncsc1S(=O)(=O)NCCCC1CCCCC1 ZINC000160837456 473180889 /nfs/dbraw/zinc/18/08/89/473180889.db2.gz LQHIDAZLVPUXMW-UHFFFAOYSA-N 0 1 346.474 2.569 20 70 EFIDMN CN(C)[C@@H](CNC(=O)N(C)C1CCC(CO)CC1)c1cccs1 ZINC000160876525 473186291 /nfs/dbraw/zinc/18/62/91/473186291.db2.gz PGQPFERYBALGCZ-NRXISQOPSA-N 0 1 339.505 2.543 20 70 EFIDMN CCN(CC)C(=O)Nc1ccc([C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160905787 473188978 /nfs/dbraw/zinc/18/89/78/473188978.db2.gz ANJTZCIJXHGFOG-CQSZACIVSA-N 0 1 334.464 2.736 20 70 EFIDMN Cc1nnc(CN2CC[C@@H](CNc3cccc(C)n3)C2)n1C1CC1 ZINC000160914311 473190280 /nfs/dbraw/zinc/19/02/80/473190280.db2.gz HRWQXBRTQOOEDZ-HNNXBMFYSA-N 0 1 326.448 2.559 20 70 EFIDMN O=C(COc1ccccc1Br)Nc1ccc2[nH]nnc2c1 ZINC000160956673 473194411 /nfs/dbraw/zinc/19/44/11/473194411.db2.gz LHHCGLNOXOEAFX-UHFFFAOYSA-N 0 1 347.172 2.738 20 70 EFIDMN COc1ccc(CNC(=O)CN[C@H]2CCc3cc(F)ccc32)cc1 ZINC000160956882 473194475 /nfs/dbraw/zinc/19/44/75/473194475.db2.gz YBPRPRQBOQEBFY-SFHVURJKSA-N 0 1 328.387 2.728 20 70 EFIDMN COc1ccc(CNC(=O)CN[C@@H](C)c2cc(F)cc(F)c2)cc1 ZINC000160989434 473197196 /nfs/dbraw/zinc/19/71/96/473197196.db2.gz OSDHMZHNMBFQOL-LBPRGKRZSA-N 0 1 334.366 2.940 20 70 EFIDMN COc1ccccc1[C@H](CNC(=O)c1cccc(F)n1)N1CCCC1 ZINC000160997580 473197812 /nfs/dbraw/zinc/19/78/12/473197812.db2.gz WUOKCXDRQOTJEF-INIZCTEOSA-N 0 1 343.402 2.796 20 70 EFIDMN CCOC(=O)c1c(C)oc2nc(CN(C)C[C@H](C)CC)nc(N)c21 ZINC000161047491 473201387 /nfs/dbraw/zinc/20/13/87/473201387.db2.gz PTVFTQJABSZKNJ-SNVBAGLBSA-N 0 1 334.420 2.768 20 70 EFIDMN CCOC(=O)c1c(C)oc2nc(CN(C)C[C@@H](C)CC)nc(N)c21 ZINC000161047609 473201487 /nfs/dbraw/zinc/20/14/87/473201487.db2.gz PTVFTQJABSZKNJ-JTQLQIEISA-N 0 1 334.420 2.768 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)NC(=O)c3ccoc3)c2C)o1 ZINC000161490688 534200455 /nfs/dbraw/zinc/20/04/55/534200455.db2.gz MLAXSOLXMMKXTN-LLVKDONJSA-N 0 1 342.355 2.637 20 70 EFIDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)c2C)o1 ZINC000161486018 534200474 /nfs/dbraw/zinc/20/04/74/534200474.db2.gz IOHCGVFWYOSIKG-OLZOCXBDSA-N 0 1 333.388 2.809 20 70 EFIDMN Cc1ccsc1CCCC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000160270769 534460781 /nfs/dbraw/zinc/46/07/81/534460781.db2.gz KIYBUZVWYOSGFQ-HOTGVXAUSA-N 0 1 338.517 2.995 20 70 EFIDMN CCCN(CCCC(=O)OC)CC(=O)Nc1ccc(Cl)cc1 ZINC000217229244 521652319 /nfs/dbraw/zinc/65/23/19/521652319.db2.gz VBWRBEBUMPITNX-UHFFFAOYSA-N 0 1 326.824 2.944 20 70 EFIDMN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCNCC1 ZINC000159368482 534581359 /nfs/dbraw/zinc/58/13/59/534581359.db2.gz ZRZCGJJMCUFBHG-UONOGXRCSA-N 0 1 327.453 2.778 20 70 EFIDMN Cc1cnccc1CCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000159715792 534697677 /nfs/dbraw/zinc/69/76/77/534697677.db2.gz ITGRBAWZJPTOOV-SFHVURJKSA-N 0 1 344.434 2.674 20 70 EFIDMN C[C@@H]1[C@H](C)OCCN1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000161306238 525686150 /nfs/dbraw/zinc/68/61/50/525686150.db2.gz VFWPPWDKZWMLBU-CABCVRRESA-N 0 1 349.450 2.609 20 70 EFIDMN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1cccc2nc[nH]c21 ZINC000159768830 526431950 /nfs/dbraw/zinc/43/19/50/526431950.db2.gz CYKVDNBRYQAIRV-UHFFFAOYSA-N 0 1 332.404 2.596 20 70 EFIDMN CC(C)(C)c1nsc(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 ZINC000160151818 526906284 /nfs/dbraw/zinc/90/62/84/526906284.db2.gz JKQNXKLXPBOQCC-CABCVRRESA-N 0 1 346.500 2.883 20 70 EFIDMN CCOCCCN(CCO)Cc1cc(Br)ccc1F ZINC000160343071 528657629 /nfs/dbraw/zinc/65/76/29/528657629.db2.gz WYERSUAOTPRNNW-UHFFFAOYSA-N 0 1 334.229 2.809 20 70 EFIDMN CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1cccc(N(C)C)c1 ZINC000159828988 528683786 /nfs/dbraw/zinc/68/37/86/528683786.db2.gz QXVVPDYPGIQHIB-OAHLLOKOSA-N 0 1 343.475 2.989 20 70 EFIDMN CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1cccc(N(C)C)c1 ZINC000159829111 528685546 /nfs/dbraw/zinc/68/55/46/528685546.db2.gz QXVVPDYPGIQHIB-HNNXBMFYSA-N 0 1 343.475 2.989 20 70 EFIDMN CCC[C@@H](N[C@H](C)c1cnn(C)c1)C(=O)N1CCc2sccc2C1 ZINC000160174492 529021525 /nfs/dbraw/zinc/02/15/25/529021525.db2.gz YZFWRCFMQBVPRQ-CZUORRHYSA-N 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C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1COc2ccccc21 ZINC000161317658 473225400 /nfs/dbraw/zinc/22/54/00/473225400.db2.gz VVSIJMUSANEDIF-BLLLJJGKSA-N 0 1 334.379 2.766 20 70 EFIDMN CCCOc1cccc(CC(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000161372819 473230908 /nfs/dbraw/zinc/23/09/08/473230908.db2.gz JYXJYEJZJIXODA-CALCHBBNSA-N 0 1 348.487 2.633 20 70 EFIDMN c1nn(-c2ccccc2)cc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161401884 473232393 /nfs/dbraw/zinc/23/23/93/473232393.db2.gz DEELYYVCYGWUSB-KRWDZBQOSA-N 0 1 348.454 2.790 20 70 EFIDMN CCC[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1COc2ccccc2O1 ZINC000161427360 473234660 /nfs/dbraw/zinc/23/46/60/473234660.db2.gz WQCWRRFRLNDNHC-AWEZNQCLSA-N 0 1 346.452 2.899 20 70 EFIDMN CCCN(Cc1cc(C(N)=O)cs1)C[C@H]1COc2ccccc2O1 ZINC000161427360 473234665 /nfs/dbraw/zinc/23/46/65/473234665.db2.gz WQCWRRFRLNDNHC-AWEZNQCLSA-N 0 1 346.452 2.899 20 70 EFIDMN CCCOc1cccc(CCNC(=O)CN(C)[C@H]2CCSC2)c1 ZINC000161450675 473236341 /nfs/dbraw/zinc/23/63/41/473236341.db2.gz 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CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)[nH]n1 ZINC000159954789 473075433 /nfs/dbraw/zinc/07/54/33/473075433.db2.gz JOKMRFYFTWAPGV-LLVKDONJSA-N 0 1 335.429 2.877 20 70 EFIDMN Cc1cccc([C@H]2CCCN2CCN2C(=O)c3ccccc3C2=O)n1 ZINC000159968968 473077431 /nfs/dbraw/zinc/07/74/31/473077431.db2.gz HSXNIBJIIBRFFW-GOSISDBHSA-N 0 1 335.407 2.823 20 70 EFIDMN CCC[C@H]1CN(c2nc(C(C)(C)C)ns2)CCN1CCOC ZINC000160170494 473093348 /nfs/dbraw/zinc/09/33/48/473093348.db2.gz LENRVFSAHTZHNW-ZDUSSCGKSA-N 0 1 326.510 2.773 20 70 EFIDMN Cc1[nH]ncc1CCCNC(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000160192010 473095271 /nfs/dbraw/zinc/09/52/71/473095271.db2.gz FQYDZYVTAHUZHY-IBGZPJMESA-N 0 1 342.443 2.608 20 70 EFIDMN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000160416557 473121204 /nfs/dbraw/zinc/12/12/04/473121204.db2.gz NURVMGTYKLURDP-UHFFFAOYSA-N 0 1 328.328 2.643 20 70 EFIDMN Cc1cccc2nc(CNC(=O)c3ncccc3OCC(F)F)[nH]c21 ZINC000160439350 473125921 /nfs/dbraw/zinc/12/59/21/473125921.db2.gz 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473178575 /nfs/dbraw/zinc/17/85/75/473178575.db2.gz IYGRKJMSNVPIJT-UHFFFAOYSA-N 0 1 345.374 2.774 20 70 EFIDMN CC(C)NC(=O)CN[C@H]1CCCOc2c(Br)cccc21 ZINC000160939277 473192551 /nfs/dbraw/zinc/19/25/51/473192551.db2.gz BKBYSVYOYZJTTA-ZDUSSCGKSA-N 0 1 341.249 2.777 20 70 EFIDMN CC[C@@H](C)c1cc(C(=O)NC2CCN(Cc3ccccn3)CC2)on1 ZINC000160942801 473193227 /nfs/dbraw/zinc/19/32/27/473193227.db2.gz WFODWJWVGLSJST-CQSZACIVSA-N 0 1 342.443 2.978 20 70 EFIDMN COc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)cc(OC)c1OC ZINC000217393385 474141612 /nfs/dbraw/zinc/14/16/12/474141612.db2.gz MZLLQQWDKVTDBP-UHFFFAOYSA-N 0 1 345.351 2.873 20 70 EFIDMN C[C@@H](Sc1ccncc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000159939483 534020409 /nfs/dbraw/zinc/02/04/09/534020409.db2.gz SMIXZKQDIIGHPE-WBVHZDCISA-N 0 1 341.480 2.953 20 70 EFIDMN COc1ccccc1CCN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000159860252 534034913 /nfs/dbraw/zinc/03/49/13/534034913.db2.gz RYDIGLSOCFBYEN-CQSZACIVSA-N 0 1 344.377 2.723 20 70 EFIDMN C[C@H]1CC(=O)CC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000159843811 534166232 /nfs/dbraw/zinc/16/62/32/534166232.db2.gz LZEJYCFNHVOYBN-HNAYVOBHSA-N 0 1 328.456 2.556 20 70 EFIDMN Cc1nsc(N2CCCN(CCC(=O)c3ccc(C)cc3)CC2)n1 ZINC000159856825 534503561 /nfs/dbraw/zinc/50/35/61/534503561.db2.gz XEPPLLNFZUUTHF-UHFFFAOYSA-N 0 1 344.484 2.940 20 70 EFIDMN Cc1cncc(/C=C/C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000159926232 534673490 /nfs/dbraw/zinc/67/34/90/534673490.db2.gz VKHCYTFSDMJEQM-DKRLNXSXSA-N 0 1 325.412 2.950 20 70 EFIDMN Cc1cccn2c(=O)cc(CN(C)Cc3cccc(N(C)C)c3)nc12 ZINC000159761789 534840902 /nfs/dbraw/zinc/84/09/02/534840902.db2.gz RJLVZVIEYIHXIY-UHFFFAOYSA-N 0 1 336.439 2.701 20 70 EFIDMN CCC[C@@H]1CN(C(=O)Nc2cccnc2Cl)CCN1CCOC ZINC000160005335 527782201 /nfs/dbraw/zinc/78/22/01/527782201.db2.gz AVXXBQBCLPPYIE-CYBMUJFWSA-N 0 1 340.855 2.700 20 70 EFIDMN CCCO[C@@H]1CCCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000160110405 528605962 /nfs/dbraw/zinc/60/59/62/528605962.db2.gz XRONAPJCURZYDP-ZIAGYGMSSA-N 0 1 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