smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C(=O)N2CCO[C@H]3CCCC[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000102908256 837402676 /nfs/dbraw/zinc/40/26/76/837402676.db2.gz BMAMAXLOCZFZPA-CABCVRRESA-N 0 0 395.290 3.666 10 0 GHAERN NC(=O)[C@@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1 ZINC000105400644 837545713 /nfs/dbraw/zinc/54/57/13/837545713.db2.gz OLAFDQMRKAOMHH-MSOLQXFVSA-N 0 0 385.261 3.948 10 0 GHAERN O=C(c1cc(Br)cs1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176434056 837583737 /nfs/dbraw/zinc/58/37/37/837583737.db2.gz BHTZWGPIXFGXQE-GFCCVEGCSA-N 0 0 395.326 3.806 10 0 GHAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000103313731 837732981 /nfs/dbraw/zinc/73/29/81/837732981.db2.gz YCQDMQWXWQHKAL-WZOJCFFYSA-N 0 0 395.613 3.635 10 0 GHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nnc(-c2ccccc2)n1C ZINC000156803381 834579498 /nfs/dbraw/zinc/57/94/98/834579498.db2.gz ZHGSUHPZNYVIAK-AWEZNQCLSA-N 0 0 394.456 3.672 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@H]3CCN(c4ccccc4Cl)C3=O)C2)no1 ZINC000329353829 834893543 /nfs/dbraw/zinc/89/35/43/834893543.db2.gz GFCLPAWZEZHPBS-YOEHRIQHSA-N 0 0 388.899 3.831 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)n1 ZINC000111833298 834999005 /nfs/dbraw/zinc/99/90/05/834999005.db2.gz MFAIGBPWFIWVPN-OXQOHEQNSA-N 0 0 397.523 3.698 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)nc1 ZINC000157759633 835077215 /nfs/dbraw/zinc/07/72/15/835077215.db2.gz HNAIMYUHFZFVJH-IRLDBZIGSA-N 0 0 379.504 3.643 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1OCC(F)F ZINC000157760676 835077924 /nfs/dbraw/zinc/07/79/24/835077924.db2.gz VJRQFJPEOQDFLP-UHFFFAOYSA-N 0 0 392.450 3.859 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cs1 ZINC000187537706 835455471 /nfs/dbraw/zinc/45/54/71/835455471.db2.gz HVRRTTAZVWACIX-BBRMVZONSA-N 0 0 391.928 3.625 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000101812724 835661420 /nfs/dbraw/zinc/66/14/20/835661420.db2.gz URIIQVJCVUQGIF-MRXNPFEDSA-N 0 0 398.513 3.818 10 0 GHAERN Fc1ccc(C2(c3nc([C@@H]4CN5CCC[C@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748454 835860766 /nfs/dbraw/zinc/86/07/66/835860766.db2.gz ZZGYEJHAUADZAU-YOEHRIQHSA-N 0 0 375.419 3.744 10 0 GHAERN C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCCC2 ZINC000151984947 835969338 /nfs/dbraw/zinc/96/93/38/835969338.db2.gz SCQGKXAMZAIAHT-LAUBAEHRSA-N 0 0 393.535 3.727 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)n1 ZINC000113205334 836610595 /nfs/dbraw/zinc/61/05/95/836610595.db2.gz HERRIGSAFOBJBT-LBPRGKRZSA-N 0 0 387.534 3.582 10 0 GHAERN Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C1)CCCC2 ZINC000408416762 844195312 /nfs/dbraw/zinc/19/53/12/844195312.db2.gz VTAZYAPHYXXRLA-ZDUSSCGKSA-N 0 0 377.847 3.656 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000332895397 836936887 /nfs/dbraw/zinc/93/68/87/836936887.db2.gz ZJOCXQTUTFCSSO-PBASOCQRSA-N 0 0 376.504 3.808 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccncc1 ZINC000102548038 837182440 /nfs/dbraw/zinc/18/24/40/837182440.db2.gz ADONCYBYUJVBAV-WMLDXEAASA-N 0 0 395.438 3.921 10 0 GHAERN O=C(NCc1cccc(Cn2cccn2)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103180528 837272963 /nfs/dbraw/zinc/27/29/63/837272963.db2.gz YTMRETFVIDNZKR-HSZRJFAPSA-N 0 0 397.482 3.915 10 0 GHAERN Cc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1N1CCCS1(=O)=O ZINC000246359168 837366890 /nfs/dbraw/zinc/36/68/90/837366890.db2.gz GPIVMBCCKWBENN-SOLBZPMBSA-N 0 0 391.537 3.720 10 0 GHAERN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1Cl ZINC000407952764 838237782 /nfs/dbraw/zinc/23/77/82/838237782.db2.gz AAWAMUQZPMNYFR-MRXNPFEDSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]1 ZINC000407980119 838372470 /nfs/dbraw/zinc/37/24/70/838372470.db2.gz INPWSWFEVWKTGM-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]1 ZINC000407982412 838388510 /nfs/dbraw/zinc/38/85/10/838388510.db2.gz YNBQOIDSUZTTDC-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113890958 838422865 /nfs/dbraw/zinc/42/28/65/838422865.db2.gz GXXVEEWCZFUFKN-SFHVURJKSA-N 0 0 397.429 3.730 10 0 GHAERN CCOc1ccccc1C(=O)N1CCC(NC(=O)N2CCC[C@@H](C3CC3)C2)CC1 ZINC000378096779 838423309 /nfs/dbraw/zinc/42/33/09/838423309.db2.gz RTQGIHQBGCBKDN-GOSISDBHSA-N 0 0 399.535 3.522 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1cccc(Br)c1 ZINC000247091440 838586067 /nfs/dbraw/zinc/58/60/67/838586067.db2.gz ROHLANMXRQZHEY-DHSIGJKJSA-N 0 0 381.314 3.847 10 0 GHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330185848 838642004 /nfs/dbraw/zinc/64/20/04/838642004.db2.gz JJRZXVKZIFJRNN-KUHUBIRLSA-N 0 0 375.856 3.576 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl)CCCC2 ZINC000408025390 838685532 /nfs/dbraw/zinc/68/55/32/838685532.db2.gz BGYUEWXRASESEZ-INIZCTEOSA-N 0 0 397.903 3.617 10 0 GHAERN Cc1nn(C)c2nc(C)cc(C(=O)N3C[C@@H](c4ccccc4)OCC3(C)C)c12 ZINC000066512474 839208189 /nfs/dbraw/zinc/20/81/89/839208189.db2.gz IJUKPHKNKKNKMG-SFHVURJKSA-N 0 0 378.476 3.577 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cc(C)c1Cl ZINC000408429388 844441329 /nfs/dbraw/zinc/44/13/29/844441329.db2.gz YBFRNFQNALSOBD-HNNXBMFYSA-N 0 0 381.929 3.529 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)C2)n1 ZINC000117048115 839539203 /nfs/dbraw/zinc/53/92/03/839539203.db2.gz FSNSMUNBUFXTEG-PXNSSMCTSA-N 0 0 383.540 3.565 10 0 GHAERN COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000176275782 839910544 /nfs/dbraw/zinc/91/05/44/839910544.db2.gz CGPGLTOETMWHPQ-GOSISDBHSA-N 0 0 377.444 3.878 10 0 GHAERN O=C(NCc1ccnc(OC2CCCCC2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119159160 840052620 /nfs/dbraw/zinc/05/26/20/840052620.db2.gz AKOPXQUACZPMLF-XMSQKQJNSA-N 0 0 387.524 3.630 10 0 GHAERN O=C(NCc1ccnc(OC2CCCCC2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119159467 840053044 /nfs/dbraw/zinc/05/30/44/840053044.db2.gz AKOPXQUACZPMLF-AVRDEDQJSA-N 0 0 387.524 3.630 10 0 GHAERN O=C(N[C@H]1CCN(c2ccccc2)C1)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332818919 844577828 /nfs/dbraw/zinc/57/78/28/844577828.db2.gz AULAPDUFKQFGRQ-UXHICEINSA-N 0 0 392.547 3.888 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1cc(Br)ccc1Br ZINC000588403033 840889793 /nfs/dbraw/zinc/88/97/93/840889793.db2.gz UXMLTVDZXOHGLL-RQOWECAXSA-N 0 0 383.043 3.654 10 0 GHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cs1 ZINC000332849305 844592266 /nfs/dbraw/zinc/59/22/66/844592266.db2.gz DJVFVEGCDAVFIW-CJNGLKHVSA-N 0 0 396.520 3.887 10 0 GHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)o1 ZINC000332853011 844593930 /nfs/dbraw/zinc/59/39/30/844593930.db2.gz GPUVOMJKZBPZDI-ZBFHGGJFSA-N 0 0 386.500 3.799 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000144913667 844600313 /nfs/dbraw/zinc/60/03/13/844600313.db2.gz OMZVPESUPQRSQS-ZDUSSCGKSA-N 0 0 385.855 3.803 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2)c(C)c1Cl ZINC000119371240 841055052 /nfs/dbraw/zinc/05/50/52/841055052.db2.gz HKSHMMVIUZTECD-DYESRHJHSA-N 0 0 387.911 3.910 10 0 GHAERN CSc1cc(C(=O)N2CCOC3(C2)CCCCCC3)ccc1NC(C)=O ZINC000119881851 841231893 /nfs/dbraw/zinc/23/18/93/841231893.db2.gz ATIXBECQNSGFNT-UHFFFAOYSA-N 0 0 376.522 3.932 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000152308961 841317132 /nfs/dbraw/zinc/31/71/32/841317132.db2.gz XWDCNEXPCUQPDV-GOSISDBHSA-N 0 0 375.538 3.995 10 0 GHAERN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328792538 841459583 /nfs/dbraw/zinc/45/95/83/841459583.db2.gz RKJHCRSNAMBAJE-LEWJYISDSA-N 0 0 388.471 3.718 10 0 GHAERN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1 ZINC000330243220 841541698 /nfs/dbraw/zinc/54/16/98/841541698.db2.gz JPXXPTATEUYBMM-DYESRHJHSA-N 0 0 398.528 3.916 10 0 GHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C1 ZINC000329322232 861285180 /nfs/dbraw/zinc/28/51/80/861285180.db2.gz RTCMJGKKKLDVEX-QLFBSQMISA-N 0 0 375.494 3.914 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330238 861292830 /nfs/dbraw/zinc/29/28/30/861292830.db2.gz LPAYOEUXIXVPSJ-CRAIPNDOSA-N 0 0 386.471 3.707 10 0 GHAERN Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000408314794 842360977 /nfs/dbraw/zinc/36/09/77/842360977.db2.gz CPYMVABLSFILQU-KZULUSFZSA-N 0 0 379.913 3.569 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)CC2)n1 ZINC000246588312 842383353 /nfs/dbraw/zinc/38/33/53/842383353.db2.gz NZCMKDRWNFWBPC-RDTXWAMCSA-N 0 0 385.537 3.707 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)COc1ccccc1-c1ccccc1 ZINC000588434469 842495261 /nfs/dbraw/zinc/49/52/61/842495261.db2.gz KWKOOBLERXTUJM-KTKRTIGZSA-N 0 0 396.487 3.930 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)C12CCCCC2 ZINC000329370486 861338014 /nfs/dbraw/zinc/33/80/14/861338014.db2.gz ATGAGWOKBAAYDR-NCXUSEDFSA-N 0 0 389.540 3.567 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CCO1 ZINC000161731807 843131723 /nfs/dbraw/zinc/13/17/23/843131723.db2.gz FDCZUQCYWCOEPF-MSOLQXFVSA-N 0 0 382.508 3.923 10 0 GHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000162071735 843196605 /nfs/dbraw/zinc/19/66/05/843196605.db2.gz YRMPVJRKMLWKBR-OAQYLSRUSA-N 0 0 393.531 3.804 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2cccc(Br)c2)CC1 ZINC000162518188 843261460 /nfs/dbraw/zinc/26/14/60/843261460.db2.gz YTWMJSWNMARRIV-UHFFFAOYSA-N 0 0 390.325 3.597 10 0 GHAERN Cc1cc(Br)ccc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162563987 843275642 /nfs/dbraw/zinc/27/56/42/843275642.db2.gz XYJNPPAHRLDZRW-UHFFFAOYSA-N 0 0 376.298 3.586 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618994 843277447 /nfs/dbraw/zinc/27/74/47/843277447.db2.gz ZFOHCYWBSJCRAK-VFNWGFHPSA-N 0 0 375.476 3.680 10 0 GHAERN O=C(Nc1ccccc1N1CCCC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112415489 843350040 /nfs/dbraw/zinc/35/00/40/843350040.db2.gz LOZRNFSPCITRPA-UHFFFAOYSA-N 0 0 398.532 3.728 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000112306591 843351364 /nfs/dbraw/zinc/35/13/64/843351364.db2.gz XQTDJVNRCYRPCU-UYAOXDASSA-N 0 0 398.528 3.591 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000123593829 843416772 /nfs/dbraw/zinc/41/67/72/843416772.db2.gz FVJRZTMFEGNZDQ-CRAIPNDOSA-N 0 0 381.314 3.594 10 0 GHAERN O=C(c1cccc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)n1)N1CCCC1 ZINC000408396303 843469807 /nfs/dbraw/zinc/46/98/07/843469807.db2.gz PCBHUPPWTCMLCG-UHFFFAOYSA-N 0 0 393.462 3.929 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121944205 843533369 /nfs/dbraw/zinc/53/33/69/843533369.db2.gz ZGLLORHVPGVKSM-QFYYESIMSA-N 0 0 389.240 3.886 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259407 843624182 /nfs/dbraw/zinc/62/41/82/843624182.db2.gz KXWBGLLRPKQJFM-HTAPYJJXSA-N 0 0 384.524 3.508 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](c3ccccc3)C(C)(C)C)C2)nn1 ZINC000332905650 844638772 /nfs/dbraw/zinc/63/87/72/844638772.db2.gz VUAVDHIQIVHIHR-QUCCMNQESA-N 0 0 381.524 3.840 10 0 GHAERN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000588482212 844931927 /nfs/dbraw/zinc/93/19/27/844931927.db2.gz CNJIFUYNBYVJIT-KHPPLWFESA-N 0 0 389.427 3.931 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000150984200 845091809 /nfs/dbraw/zinc/09/18/09/845091809.db2.gz RXNJHKDWXHBAGN-RBUKOAKNSA-N 0 0 399.491 3.882 10 0 GHAERN CSc1ccc(O[C@H](C)C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000151571066 845251994 /nfs/dbraw/zinc/25/19/94/845251994.db2.gz RDMRFOPRLVNJIE-FZKQIMNGSA-N 0 0 382.489 3.508 10 0 GHAERN CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000151671741 845469788 /nfs/dbraw/zinc/46/97/88/845469788.db2.gz YBGSXBKHLHWVHB-IRLDBZIGSA-N 0 0 383.536 3.523 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000248951543 845480442 /nfs/dbraw/zinc/48/04/42/845480442.db2.gz KNJNKVDKOFHGAZ-LYRGGWFBSA-N 0 0 397.397 3.564 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)CCO2)o1 ZINC000151747331 845638461 /nfs/dbraw/zinc/63/84/61/845638461.db2.gz IDRXTAIUAPXKFO-SFHVURJKSA-N 0 0 399.422 3.618 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CCO2)o1 ZINC000151820576 845823620 /nfs/dbraw/zinc/82/36/20/845823620.db2.gz KLNZBYBWUYXUDK-IBGZPJMESA-N 0 0 380.400 3.647 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)cnn1-c1ccc(Cl)cc1 ZINC000329570688 861688371 /nfs/dbraw/zinc/68/83/71/861688371.db2.gz QKBILZLQNKKEOS-XKQJLSEDSA-N 0 0 384.867 3.934 10 0 GHAERN Cc1cccc(C2(C(=O)N[C@H]3CCCN(c4cccnn4)C3)CCCCC2)c1 ZINC000118669624 847033926 /nfs/dbraw/zinc/03/39/26/847033926.db2.gz KQBSEXDMIDVPAJ-FQEVSTJZSA-N 0 0 378.520 3.772 10 0 GHAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128290465 847109014 /nfs/dbraw/zinc/10/90/14/847109014.db2.gz WFLVIXMXPRMULM-IAQYHMDHSA-N 0 0 397.846 3.675 10 0 GHAERN C[C@@H]1CC(=O)N[C@H](C(=O)N2CC(C)(C)N(C)c3ccc(Br)cc32)C1 ZINC000329067760 847507236 /nfs/dbraw/zinc/50/72/36/847507236.db2.gz MBLFKZBUSXODLB-AAEUAGOBSA-N 0 0 394.313 3.766 10 0 GHAERN CC(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000329637397 861859223 /nfs/dbraw/zinc/85/92/23/861859223.db2.gz VPKQKCIKCQCMDP-INIZCTEOSA-N 0 0 391.493 3.558 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3c(C)cccc3C(=O)N3CCCC3)CCO2)o1 ZINC000153295442 848350028 /nfs/dbraw/zinc/35/00/28/848350028.db2.gz CYZXRAIHIDFUET-LJQANCHMSA-N 0 0 397.475 3.738 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)CCO2)o1 ZINC000153381377 848422249 /nfs/dbraw/zinc/42/22/49/848422249.db2.gz YIHLIJQEYBBADV-UYAOXDASSA-N 0 0 386.448 3.751 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000153727140 848957731 /nfs/dbraw/zinc/95/77/31/848957731.db2.gz ILBZWRGMZVSZGD-FPOVZHCZSA-N 0 0 396.535 3.552 10 0 GHAERN CC(C)C[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000154028935 849172622 /nfs/dbraw/zinc/17/26/22/849172622.db2.gz ZQIWRZQPEVCRQC-HUUCEWRRSA-N 0 0 384.517 3.758 10 0 GHAERN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000154337297 849258471 /nfs/dbraw/zinc/25/84/71/849258471.db2.gz RTGTUIABUCFLJT-KRWDZBQOSA-N 0 0 377.488 3.684 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 ZINC000329126382 849306697 /nfs/dbraw/zinc/30/66/97/849306697.db2.gz YMTTZIYJDVMSEP-OALUTQOASA-N 0 0 397.544 3.862 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)ccc1F ZINC000154909212 849404005 /nfs/dbraw/zinc/40/40/05/849404005.db2.gz JWRAMJPZPPSUQJ-LHUXKHBRSA-N 0 0 385.370 3.584 10 0 GHAERN O=C(Nc1nccs1)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000044453859 849501467 /nfs/dbraw/zinc/50/14/67/849501467.db2.gz QUAJSWMMDLSJOA-UHFFFAOYSA-N 0 0 384.288 3.941 10 0 GHAERN Cc1noc([C@H]2COCCN2C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n1 ZINC000155568401 849566994 /nfs/dbraw/zinc/56/69/94/849566994.db2.gz UDJPCVYPJXFGRQ-BTKRWWFXSA-N 0 0 399.394 3.603 10 0 GHAERN CCn1cc(C2CCN(C(=O)NCc3ccc(Br)s3)CC2)cn1 ZINC000156773539 851130111 /nfs/dbraw/zinc/13/01/11/851130111.db2.gz CJHBVIZBMTUSCA-UHFFFAOYSA-N 0 0 397.342 3.816 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H](c4nccs4)C3)C2)cc1 ZINC000170890676 851598416 /nfs/dbraw/zinc/59/84/16/851598416.db2.gz BTUHYHIRTVZSKA-RTBURBONSA-N 0 0 397.544 3.710 10 0 GHAERN Cc1noc(CCNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)n1 ZINC000101617871 851756954 /nfs/dbraw/zinc/75/69/54/851756954.db2.gz UWCZOCIVFSVXIH-UHFFFAOYSA-N 0 0 396.413 3.751 10 0 GHAERN CCCOc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000101743374 851863661 /nfs/dbraw/zinc/86/36/61/851863661.db2.gz DTIKFWKRCQOEHH-INIZCTEOSA-N 0 0 375.513 3.880 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1C ZINC000101741829 851864051 /nfs/dbraw/zinc/86/40/51/851864051.db2.gz DRSJCZVJYWPSMM-UHFFFAOYSA-N 0 0 381.476 3.868 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000102045569 852110926 /nfs/dbraw/zinc/11/09/26/852110926.db2.gz XPCBHNQZYOICNU-CYBMUJFWSA-N 0 0 383.895 3.561 10 0 GHAERN Cc1nc([C@@H]2CCCN2c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C)no1 ZINC000329862955 862380983 /nfs/dbraw/zinc/38/09/83/862380983.db2.gz YUVOVEYXNVXQJZ-RISCZKNCSA-N 0 0 384.509 3.701 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000157580211 854273631 /nfs/dbraw/zinc/27/36/31/854273631.db2.gz DHPXYWGBGHGUJS-IBGZPJMESA-N 0 0 392.503 3.750 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)no1 ZINC000123240451 854339448 /nfs/dbraw/zinc/33/94/48/854339448.db2.gz RZGKJVPPZXCOGZ-KRWDZBQOSA-N 0 0 384.524 3.869 10 0 GHAERN O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123574545 854409381 /nfs/dbraw/zinc/40/93/81/854409381.db2.gz RBSFWTWLFMJCSR-ZVDOUQERSA-N 0 0 378.472 3.781 10 0 GHAERN C[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N(c1nccs1)C1CCCCC1 ZINC000328711004 854517605 /nfs/dbraw/zinc/51/76/05/854517605.db2.gz RFRFJJQNFLZXOU-GDBMZVCRSA-N 0 0 390.553 3.829 10 0 GHAERN CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 ZINC000328865768 854586166 /nfs/dbraw/zinc/58/61/66/854586166.db2.gz GMFFMVBPGSKTMH-OALUTQOASA-N 0 0 383.513 3.600 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cc2)c1 ZINC000328935034 854607984 /nfs/dbraw/zinc/60/79/84/854607984.db2.gz FLTPAZPJKWIBOM-LEWJYISDSA-N 0 0 381.476 3.724 10 0 GHAERN CC(C)n1cc([C@@H]2CN(c3ncnc4sc5c(c43)CCCC5)C[C@H]2CO)cn1 ZINC000328927640 854624826 /nfs/dbraw/zinc/62/48/26/854624826.db2.gz FYHKCWUVSBPIGW-RDJZCZTQSA-N 0 0 397.548 3.560 10 0 GHAERN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)N[C@H]1CCCc2ccccc21 ZINC000125895757 854771520 /nfs/dbraw/zinc/77/15/20/854771520.db2.gz JCXJECUXTUGVOY-SFHVURJKSA-N 0 0 392.459 3.864 10 0 GHAERN C[C@@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)C1CCOCC1 ZINC000330153892 862621647 /nfs/dbraw/zinc/62/16/47/862621647.db2.gz NBIIMQICAUCIIT-ZDWFVDTJSA-N 0 0 395.503 3.679 10 0 GHAERN Cc1c2cc(Br)ccc2oc1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000072250116 855000161 /nfs/dbraw/zinc/00/01/61/855000161.db2.gz MWZBRXVZNOAKTI-GFCCVEGCSA-N 0 0 393.281 3.635 10 0 GHAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000330198159 862656064 /nfs/dbraw/zinc/65/60/64/862656064.db2.gz SWIADEXFDPEXGA-CRAIPNDOSA-N 0 0 392.521 3.547 10 0 GHAERN CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000157845501 855368135 /nfs/dbraw/zinc/36/81/35/855368135.db2.gz LPKBNXTYAFMTSN-GOSISDBHSA-N 0 0 399.535 3.723 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)C[C@H]1C ZINC000191025701 855560199 /nfs/dbraw/zinc/56/01/99/855560199.db2.gz PXAXVXIHBMOVPE-NVXWUHKLSA-N 0 0 376.497 3.513 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)n1 ZINC000185478603 856356872 /nfs/dbraw/zinc/35/68/72/856356872.db2.gz HBTBHFXMXZDICI-UHFFFAOYSA-N 0 0 375.423 3.541 10 0 GHAERN CSc1cccc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c1 ZINC000185552214 856379513 /nfs/dbraw/zinc/37/95/13/856379513.db2.gz XTGCOLQDGHZTAO-UHFFFAOYSA-N 0 0 385.537 3.984 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104915353 856446760 /nfs/dbraw/zinc/44/67/60/856446760.db2.gz ZZUJRIUTDRONAN-ZDUSSCGKSA-N 0 0 394.418 3.957 10 0 GHAERN CN(C(=O)COc1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000048547328 856468363 /nfs/dbraw/zinc/46/83/63/856468363.db2.gz FAXGWUFEOMKWLB-UHFFFAOYSA-N 0 0 386.407 3.529 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)C12CCOCC2 ZINC000185962578 856475376 /nfs/dbraw/zinc/47/53/76/856475376.db2.gz QUYUNWCWEMFNAD-KCUHQSDYSA-N 0 0 390.499 3.892 10 0 GHAERN CN(C)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000113218639 856971892 /nfs/dbraw/zinc/97/18/92/856971892.db2.gz YYDSBJJUWNVQRQ-SFHVURJKSA-N 0 0 375.476 3.558 10 0 GHAERN CSc1cccc(NC(=O)N2CCC(NC(=O)c3cccs3)CC2)c1 ZINC000056520848 857069409 /nfs/dbraw/zinc/06/94/09/857069409.db2.gz XSXVNDKNTGGOOU-UHFFFAOYSA-N 0 0 375.519 3.896 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)CC2 ZINC000133528833 858812862 /nfs/dbraw/zinc/81/28/62/858812862.db2.gz WERIZTUSBSRTQX-YUELXQCFSA-N 0 0 393.318 3.943 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000194572182 859063974 /nfs/dbraw/zinc/06/39/74/859063974.db2.gz ROZBCNWPMXQPJJ-OCCSQVGLSA-N 0 0 388.541 3.851 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000251729310 859471364 /nfs/dbraw/zinc/47/13/64/859471364.db2.gz MPOCNYATGKJRFD-AGIUHOORSA-N 0 0 377.432 3.656 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)C2)c1 ZINC000107255930 859790161 /nfs/dbraw/zinc/79/01/61/859790161.db2.gz WEHXHJULGCSLLE-QGZVFWFLSA-N 0 0 392.507 3.872 10 0 GHAERN O=C(NCCc1ccc(Cl)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000017297739 860179740 /nfs/dbraw/zinc/17/97/40/860179740.db2.gz KAONBGIGUXJMKL-UHFFFAOYSA-N 0 0 376.909 3.613 10 0 GHAERN Cc1nc(CN2CCN(C(=O)c3oc4c(cccc4Cl)c3C)CC2)oc1C ZINC000171652999 860428411 /nfs/dbraw/zinc/42/84/11/860428411.db2.gz SPGQDJXIPQMQBZ-UHFFFAOYSA-N 0 0 387.867 3.957 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000102695964 860820928 /nfs/dbraw/zinc/82/09/28/860820928.db2.gz RRTPAKXHCVOOPH-ZIAGYGMSSA-N 0 0 376.884 3.885 10 0 GHAERN C[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683969 860837992 /nfs/dbraw/zinc/83/79/92/860837992.db2.gz MOCNVDSOKUWEJV-GUYCJALGSA-N 0 0 389.293 3.740 10 0 GHAERN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000102979377 860927898 /nfs/dbraw/zinc/92/78/98/860927898.db2.gz MTKJKIWTEVXWJU-AWEZNQCLSA-N 0 0 383.423 3.910 10 0 GHAERN Cc1ccc(-c2noc([C@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020961 860952202 /nfs/dbraw/zinc/95/22/02/860952202.db2.gz HVNSFSYZYMNMGT-SWLSCSKDSA-N 0 0 383.427 3.995 10 0 GHAERN O=C(Nc1ccnn1C[C@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000159336846 860962094 /nfs/dbraw/zinc/96/20/94/860962094.db2.gz BYDGAJKDVHRNGK-AEFFLSMTSA-N 0 0 396.491 3.878 10 0 GHAERN COc1cccc(CNC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)n1 ZINC000103077539 863887020 /nfs/dbraw/zinc/88/70/20/863887020.db2.gz YSNWAMBLTQRCCJ-HNNXBMFYSA-N 0 0 377.444 3.564 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCCc3cnn(-c4ccccc4)c3)c21 ZINC000103177967 863902196 /nfs/dbraw/zinc/90/21/96/863902196.db2.gz CVUDILFMJKPIOR-UHFFFAOYSA-N 0 0 387.487 3.746 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(NC(=O)C(C)C)cc1 ZINC000103860945 864099837 /nfs/dbraw/zinc/09/98/37/864099837.db2.gz OYICJVXXUVVYKE-UHFFFAOYSA-N 0 0 383.492 3.674 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(N2CCNC2=O)cc1 ZINC000151741609 864114259 /nfs/dbraw/zinc/11/42/59/864114259.db2.gz LDSWCWIVEOGGOS-IBGZPJMESA-N 0 0 391.471 3.783 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)n1 ZINC000173353388 864532135 /nfs/dbraw/zinc/53/21/35/864532135.db2.gz HZZHMUVUOXWHRV-KKXNLOMOSA-N 0 0 396.535 3.811 10 0 GHAERN Cc1ccc(O[C@H](C)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000104785138 864640381 /nfs/dbraw/zinc/64/03/81/864640381.db2.gz OBPNUTAXONHJST-OAHLLOKOSA-N 0 0 378.925 3.822 10 0 GHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCOC2(CCOCC2)C1 ZINC000154698017 864845948 /nfs/dbraw/zinc/84/59/48/864845948.db2.gz MMRUAWCRPMGWEH-XJKSGUPXSA-N 0 0 399.318 3.688 10 0 GHAERN Cc1ccc(Cc2nnc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)s2)cc1 ZINC000178392281 864886777 /nfs/dbraw/zinc/88/67/77/864886777.db2.gz HTJFANDXRKBNBG-UZLBHIALSA-N 0 0 386.521 3.596 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2cnc3cc(F)c(F)cc3n2)c2ccc(F)cc2C1 ZINC000302181980 865752953 /nfs/dbraw/zinc/75/29/53/865752953.db2.gz FGCCFDITHQJZOL-QGZVFWFLSA-N 0 0 386.377 3.953 10 0 GHAERN Cc1cc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)n2nc(C(F)(F)F)nc2n1 ZINC000302837682 865948756 /nfs/dbraw/zinc/94/87/56/865948756.db2.gz XSXWMEOHZZQHTP-QMMMGPOBSA-N 0 0 378.310 3.656 10 0 GHAERN Cc1cc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n2nc(C(F)(F)F)nc2n1 ZINC000302837681 865948924 /nfs/dbraw/zinc/94/89/24/865948924.db2.gz XSXWMEOHZZQHTP-MRVPVSSYSA-N 0 0 378.310 3.656 10 0 GHAERN O=C(c1ccncc1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000169844846 882029653 /nfs/dbraw/zinc/02/96/53/882029653.db2.gz PJHYSGBLRRVVIP-UHFFFAOYSA-N 0 0 399.494 3.588 10 0 GHAERN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151216876 867057688 /nfs/dbraw/zinc/05/76/88/867057688.db2.gz NAJZDAUFQNRPSE-ZHRRBRCNSA-N 0 0 399.512 3.954 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@@H](c1ccccc1)c1ccncc1 ZINC000170884491 882063730 /nfs/dbraw/zinc/06/37/30/882063730.db2.gz YOTJVHFTUDAXPX-CTNGQTDRSA-N 0 0 386.455 3.596 10 0 GHAERN COc1cc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)cc(OC)c1OC ZINC000170890629 882067380 /nfs/dbraw/zinc/06/73/80/882067380.db2.gz LJSYUSGTPWDKCL-OAHLLOKOSA-N 0 0 390.505 3.508 10 0 GHAERN CC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 ZINC000171216514 882088462 /nfs/dbraw/zinc/08/84/62/882088462.db2.gz MPDZFEXTCKOMLA-UHFFFAOYSA-N 0 0 387.382 3.625 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000171300472 882097360 /nfs/dbraw/zinc/09/73/60/882097360.db2.gz YJPCSACDXPWUKI-UHFFFAOYSA-N 0 0 384.451 3.900 10 0 GHAERN COc1ccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)c(OC)c1OC ZINC000171640989 882119727 /nfs/dbraw/zinc/11/97/27/882119727.db2.gz QXBBOGPGLHUSES-OAHLLOKOSA-N 0 0 390.505 3.508 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c(F)c1 ZINC000151580962 868075690 /nfs/dbraw/zinc/07/56/90/868075690.db2.gz GSPBDBSHNUUJFS-WAIKUNEKSA-N 0 0 397.494 3.576 10 0 GHAERN COc1ccc(Cc2noc(C3CCN(C(=O)c4cccs4)CC3)n2)cc1 ZINC000171799011 882161208 /nfs/dbraw/zinc/16/12/08/882161208.db2.gz AQMDYYLJDCTEBH-UHFFFAOYSA-N 0 0 383.473 3.750 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000172054636 882165804 /nfs/dbraw/zinc/16/58/04/882165804.db2.gz BBRGJHBNRQQITQ-QVKFZJNVSA-N 0 0 387.439 3.515 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)N1CCc2sccc2C1 ZINC000172224721 882188328 /nfs/dbraw/zinc/18/83/28/882188328.db2.gz YEEDHPCHEPABDT-HOCLYGCPSA-N 0 0 390.578 3.540 10 0 GHAERN COc1ccc(C[C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000172229984 882190095 /nfs/dbraw/zinc/19/00/95/882190095.db2.gz BUYDZGDNHFHXJU-HOCLYGCPSA-N 0 0 389.521 3.681 10 0 GHAERN Cc1c([C@@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000172249084 882191208 /nfs/dbraw/zinc/19/12/08/882191208.db2.gz JPXGKLYIVKRGPF-QAPCUYQASA-N 0 0 392.507 3.769 10 0 GHAERN Cc1nnc([C@@H](C)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267449 869257610 /nfs/dbraw/zinc/25/76/10/869257610.db2.gz PUILYEPXNYQCGS-OAHLLOKOSA-N 0 0 380.521 3.577 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(COc2ccccc2)CC1 ZINC000172639161 882281099 /nfs/dbraw/zinc/28/10/99/882281099.db2.gz QNRUBBNTJABETQ-NRFANRHFSA-N 0 0 382.504 3.653 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172495369 882290198 /nfs/dbraw/zinc/29/01/98/882290198.db2.gz WWIRQVGJELPRRH-PMACEKPBSA-N 0 0 389.503 3.640 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc(Cl)c1 ZINC000172514593 882292843 /nfs/dbraw/zinc/29/28/43/882292843.db2.gz LMSRBJRJMHMRPQ-INIZCTEOSA-N 0 0 384.823 3.596 10 0 GHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000172555898 882295504 /nfs/dbraw/zinc/29/55/04/882295504.db2.gz YXWPJCPTTKQMHN-INIZCTEOSA-N 0 0 396.491 3.580 10 0 GHAERN Cc1cccc([C@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000172805553 882309962 /nfs/dbraw/zinc/30/99/62/882309962.db2.gz UOXSYLLOGXIRPO-QGZVFWFLSA-N 0 0 382.479 3.906 10 0 GHAERN COc1cc(C(=O)N2CC=C(c3ccccc3)CC2)cc(NC(C)=O)c1OC ZINC000173065526 882318587 /nfs/dbraw/zinc/31/85/87/882318587.db2.gz NZZZQIJWOWRMIB-UHFFFAOYSA-N 0 0 380.444 3.592 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccccc2N2C(=O)CCC2=O)CC[C@H]1c1ccccc1 ZINC000173164501 882336705 /nfs/dbraw/zinc/33/67/05/882336705.db2.gz DSVISDZTRGUEPL-SJLPKXTDSA-N 0 0 391.471 3.998 10 0 GHAERN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@H](c2nccs2)C1 ZINC000173271632 882344446 /nfs/dbraw/zinc/34/44/46/882344446.db2.gz ZPZICGKYOUTMBI-HNNXBMFYSA-N 0 0 399.495 3.600 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173403510 882360437 /nfs/dbraw/zinc/36/04/37/882360437.db2.gz AXAJKLKXHXVDGR-HUUCEWRRSA-N 0 0 379.526 3.639 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3C)C2)n1 ZINC000173739783 882370724 /nfs/dbraw/zinc/37/07/24/882370724.db2.gz UQBUTAKUHCFZFU-OAHLLOKOSA-N 0 0 398.532 3.563 10 0 GHAERN Cn1cc(CCNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccc(Cl)cc21 ZINC000186990506 870245081 /nfs/dbraw/zinc/24/50/81/870245081.db2.gz LQHAKXLCCUHORY-IERDGZPVSA-N 0 0 389.927 3.711 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)cs1 ZINC000187072436 870247204 /nfs/dbraw/zinc/24/72/04/870247204.db2.gz VALZNBQZDLQUHJ-KQZOUJJXSA-N 0 0 375.538 3.542 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189984875 870315491 /nfs/dbraw/zinc/31/54/91/870315491.db2.gz SUNLPULONZNKEZ-KBXIAJHMSA-N 0 0 388.434 3.543 10 0 GHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000173803736 882406290 /nfs/dbraw/zinc/40/62/90/882406290.db2.gz XFGNGGFPODHDQB-YJBOKZPZSA-N 0 0 394.479 3.501 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)COc3ccc(Cl)cc3C)C2)c1 ZINC000102383157 882416376 /nfs/dbraw/zinc/41/63/76/882416376.db2.gz PWPUHBMVCWLTQI-MRXNPFEDSA-N 0 0 388.895 3.679 10 0 GHAERN O=C(CCN1C(=O)CCc2ccccc21)N1CCC(Nc2ccccc2F)CC1 ZINC000174065823 882419695 /nfs/dbraw/zinc/41/96/95/882419695.db2.gz HPPMGCYUOWKAQR-UHFFFAOYSA-N 0 0 395.478 3.598 10 0 GHAERN CC(C)(C)OC(=O)NCCCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174081509 882422605 /nfs/dbraw/zinc/42/26/05/882422605.db2.gz ZUMJOBCFKXFKGU-UHFFFAOYSA-N 0 0 379.476 3.534 10 0 GHAERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174084953 882423736 /nfs/dbraw/zinc/42/37/36/882423736.db2.gz UBGSUPOWXDGSAK-KRWDZBQOSA-N 0 0 395.478 3.820 10 0 GHAERN Cc1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c(Cl)c1 ZINC000174285021 882443840 /nfs/dbraw/zinc/44/38/40/882443840.db2.gz PUVUJEIGRKTZKO-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000174916792 882508258 /nfs/dbraw/zinc/50/82/58/882508258.db2.gz DZJIBIITZXDBDK-UHFFFAOYSA-N 0 0 396.413 3.614 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc21 ZINC000175137226 882527548 /nfs/dbraw/zinc/52/75/48/882527548.db2.gz CZCVIAHAGHFMNA-GOSISDBHSA-N 0 0 391.471 3.939 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(NC(=O)C4CC4)c3)C2)c1 ZINC000175400592 882550227 /nfs/dbraw/zinc/55/02/27/882550227.db2.gz JDCKPSLIRZAOKJ-KRWDZBQOSA-N 0 0 394.471 3.682 10 0 GHAERN Cc1ccc(N2CCC(C(=O)NC3(c4noc(C(C)C)n4)CCCC3)CC2)nc1 ZINC000175188263 882556345 /nfs/dbraw/zinc/55/63/45/882556345.db2.gz RRBQJFKLUFMAFY-UHFFFAOYSA-N 0 0 397.523 3.699 10 0 GHAERN CC(C)COC(=O)N1CCC(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000101810157 872277514 /nfs/dbraw/zinc/27/75/14/872277514.db2.gz USIOLJLTUYVMPF-HXUWFJFHSA-N 0 0 384.476 3.990 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(CC2CCC2)CC(F)(F)F)CC1 ZINC000175945930 882618073 /nfs/dbraw/zinc/61/80/73/882618073.db2.gz CHCAXTCGMXWYQR-UHFFFAOYSA-N 0 0 388.455 3.791 10 0 GHAERN O=C(Nc1ccccc1CN1CCSCC1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000175791266 882628518 /nfs/dbraw/zinc/62/85/18/882628518.db2.gz JHNYKZUOGHCQRN-PMACEKPBSA-N 0 0 399.564 3.737 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCc3cc(F)ccc3F)C2)o1 ZINC000102141631 872637426 /nfs/dbraw/zinc/63/74/26/872637426.db2.gz XMCNBGDKNOUJLP-OAHLLOKOSA-N 0 0 391.414 3.894 10 0 GHAERN O=C(Nc1cc(-c2ccccc2)on1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176205398 882647233 /nfs/dbraw/zinc/64/72/33/882647233.db2.gz GRENXMMBAYHDBP-INIZCTEOSA-N 0 0 388.431 3.796 10 0 GHAERN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000176012015 882658367 /nfs/dbraw/zinc/65/83/67/882658367.db2.gz CLMPZMNLRUWUJW-LSDHHAIUSA-N 0 0 397.454 3.527 10 0 GHAERN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@H]1CCCn2ccnc21 ZINC000176325027 882679280 /nfs/dbraw/zinc/67/92/80/882679280.db2.gz DJMFFYNQXSJCFJ-UZTOHYMASA-N 0 0 379.485 3.707 10 0 GHAERN COc1cccc(CCNC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000102552431 873261241 /nfs/dbraw/zinc/26/12/41/873261241.db2.gz FSBQIYXZLPUEHT-UHFFFAOYSA-N 0 0 383.423 3.574 10 0 GHAERN CCS[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000176736397 882708470 /nfs/dbraw/zinc/70/84/70/882708470.db2.gz CWWGOGHAQCWGRY-RTBURBONSA-N 0 0 392.540 3.858 10 0 GHAERN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000127712002 873335079 /nfs/dbraw/zinc/33/50/79/873335079.db2.gz JQUUYPAREIOELB-YOEHRIQHSA-N 0 0 376.863 3.653 10 0 GHAERN CC(C)CCOC1CCN(C(=O)NC2CCN(c3cccs3)CC2)CC1 ZINC000176623074 882720519 /nfs/dbraw/zinc/72/05/19/882720519.db2.gz DWEQQZYASLJRRE-UHFFFAOYSA-N 0 0 379.570 3.954 10 0 GHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000176662203 882722880 /nfs/dbraw/zinc/72/28/80/882722880.db2.gz FEOVVYAITWOEMJ-WBVHZDCISA-N 0 0 381.455 3.827 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)n(C)n1 ZINC000102744254 873524906 /nfs/dbraw/zinc/52/49/06/873524906.db2.gz IGLSHRLBUQATRS-BETUJISGSA-N 0 0 396.413 3.613 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)c3cccnc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744482 873526209 /nfs/dbraw/zinc/52/62/09/873526209.db2.gz FINQZGZJTWKTLU-STQMWFEESA-N 0 0 379.382 3.966 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000116668143 873614215 /nfs/dbraw/zinc/61/42/15/873614215.db2.gz VFIWSKBXSQQWFG-UHFFFAOYSA-N 0 0 390.487 3.763 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000117633965 874078817 /nfs/dbraw/zinc/07/88/17/874078817.db2.gz JCGBCNFYWDZLPI-YCRPNKLZSA-N 0 0 387.439 3.515 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000177415994 882795862 /nfs/dbraw/zinc/79/58/62/882795862.db2.gz FRQPFMHMANOINA-CVEARBPZSA-N 0 0 389.496 3.810 10 0 GHAERN O=C(c1ccccc1)N1CCC[C@H](C(=O)N2CC=C(c3cccs3)CC2)C1 ZINC000117724037 874149237 /nfs/dbraw/zinc/14/92/37/874149237.db2.gz SPRJCQZVSCTFOH-IBGZPJMESA-N 0 0 380.513 3.916 10 0 GHAERN O=C(Nc1ccccc1C(F)(F)F)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177507692 882809356 /nfs/dbraw/zinc/80/93/56/882809356.db2.gz AFOAIFDKZULXBA-NSHDSACASA-N 0 0 383.395 3.507 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1sccc1NC(=O)c1ccncc1 ZINC000104459640 874411690 /nfs/dbraw/zinc/41/16/90/874411690.db2.gz CAIOPRODCXNATL-UHFFFAOYSA-N 0 0 395.484 3.719 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(CN2CCCCC2=O)CC1 ZINC000118676765 874592542 /nfs/dbraw/zinc/59/25/42/874592542.db2.gz ATZBZKWPMAFACH-UHFFFAOYSA-N 0 0 389.546 3.736 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 ZINC000119019001 874845367 /nfs/dbraw/zinc/84/53/67/874845367.db2.gz YPFDBIKPYWNWET-GOSISDBHSA-N 0 0 397.544 3.978 10 0 GHAERN CC(C)c1noc(-c2ccccc2C(=O)N2CCC(c3ccnn3C)CC2)n1 ZINC000124580480 874901771 /nfs/dbraw/zinc/90/17/71/874901771.db2.gz RDJXCKVJVSMPMY-UHFFFAOYSA-N 0 0 379.464 3.613 10 0 GHAERN C[C@H](c1cccc(O)c1)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178457189 882893910 /nfs/dbraw/zinc/89/39/10/882893910.db2.gz XYXCQNBEHAYTAG-OAHLLOKOSA-N 0 0 384.451 3.603 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000105598720 875341477 /nfs/dbraw/zinc/34/14/77/875341477.db2.gz VSQGEZIRJUSOCD-HNNXBMFYSA-N 0 0 399.516 3.525 10 0 GHAERN Cc1nc2cc(NC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)ccc2o1 ZINC000178639418 882927561 /nfs/dbraw/zinc/92/75/61/882927561.db2.gz QJUUOULQKPHACK-CQSZACIVSA-N 0 0 376.420 3.590 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000120132683 875596884 /nfs/dbraw/zinc/59/68/84/875596884.db2.gz PRTJEOMVFKYXSU-LBPRGKRZSA-N 0 0 397.857 3.534 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(F)c1F ZINC000179364750 882965596 /nfs/dbraw/zinc/96/55/96/882965596.db2.gz LBENBVNQBXWPEF-GFCCVEGCSA-N 0 0 378.444 3.756 10 0 GHAERN CCOc1ccc(-c2nc(CN3CCC(n4cncn4)CC3)cs2)cc1OC ZINC000120609945 876176501 /nfs/dbraw/zinc/17/65/01/876176501.db2.gz KTAAYFXJLAASJP-UHFFFAOYSA-N 0 0 399.520 3.646 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC000120735042 876251931 /nfs/dbraw/zinc/25/19/31/876251931.db2.gz GDDIUFWSRXBIMU-JKSUJKDBSA-N 0 0 393.553 3.851 10 0 GHAERN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1cccc(-c2ncon2)c1 ZINC000180105369 883019423 /nfs/dbraw/zinc/01/94/23/883019423.db2.gz ZMDCABMDWJNLGI-UHFFFAOYSA-N 0 0 386.411 3.892 10 0 GHAERN C[C@@H](OC1CCCCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000120960117 876381013 /nfs/dbraw/zinc/38/10/13/876381013.db2.gz WIFVAQRBIIUDLC-MRXNPFEDSA-N 0 0 378.538 3.551 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000179940930 883038828 /nfs/dbraw/zinc/03/88/28/883038828.db2.gz KMIGSLZSDMBKSD-CTNGQTDRSA-N 0 0 375.472 3.906 10 0 GHAERN CC1(C)C[C@H](NC(=O)c2cccc(CN3CCCC3=O)c2)c2ccccc2O1 ZINC000121464255 877097285 /nfs/dbraw/zinc/09/72/85/877097285.db2.gz SSOYAFFJJVQDPV-IBGZPJMESA-N 0 0 378.472 3.841 10 0 GHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1OC ZINC000180744419 883096641 /nfs/dbraw/zinc/09/66/41/883096641.db2.gz BOOPVTKWAZLLSN-QGZVFWFLSA-N 0 0 382.504 3.759 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@H]1CCc3ccccc31)CC2 ZINC000121632624 877494460 /nfs/dbraw/zinc/49/44/60/877494460.db2.gz IYMKYFCKPIUXDQ-BBRMVZONSA-N 0 0 375.394 3.712 10 0 GHAERN COc1ccc([C@@H](NC(=O)c2ccc(Cl)nc2Cl)c2nccn2C)cc1 ZINC000122371995 878780827 /nfs/dbraw/zinc/78/08/27/878780827.db2.gz LMWXCWQEYQJOHF-OAHLLOKOSA-N 0 0 391.258 3.650 10 0 GHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122534398 879058152 /nfs/dbraw/zinc/05/81/52/879058152.db2.gz WWYWCSGCAAAPNY-LSDHHAIUSA-N 0 0 380.510 3.537 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000122549894 879065940 /nfs/dbraw/zinc/06/59/40/879065940.db2.gz DEVYOQPOEWXHCC-DNVCBOLYSA-N 0 0 381.476 3.741 10 0 GHAERN Cc1nnc([C@H]2Cc3ccccc3CN2c2cnc3cc(F)c(F)cc3n2)o1 ZINC000122660112 879243158 /nfs/dbraw/zinc/24/31/58/879243158.db2.gz LBSVXGRBYNNQEP-GOSISDBHSA-N 0 0 379.370 3.903 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000122940184 879743137 /nfs/dbraw/zinc/74/31/37/879743137.db2.gz NASKNLZTSOYSQO-JKSUJKDBSA-N 0 0 375.490 3.559 10 0 GHAERN Cc1cccc(NC(=O)CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000103494967 881224720 /nfs/dbraw/zinc/22/47/20/881224720.db2.gz QRBQFUZCPXHCGW-UHFFFAOYSA-N 0 0 375.513 3.512 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(Oc4cnccn4)c3)CC2)nc1 ZINC000181194323 883126898 /nfs/dbraw/zinc/12/68/98/883126898.db2.gz WWDXNFPIHALYKW-UHFFFAOYSA-N 0 0 390.443 3.656 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000181237321 883130735 /nfs/dbraw/zinc/13/07/35/883130735.db2.gz BNRLLEVDNKLCDF-UHFFFAOYSA-N 0 0 394.500 3.733 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3nn(CC(C)C)cc3C(F)F)CC2)nc1 ZINC000181188550 883154950 /nfs/dbraw/zinc/15/49/50/883154950.db2.gz DUZSPTDIAFJIJU-UHFFFAOYSA-N 0 0 392.450 3.864 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3c4cc(C)ccc4C[C@@H]3C)CC2)no1 ZINC000181912056 883192176 /nfs/dbraw/zinc/19/21/76/883192176.db2.gz LFCYOHBNMDFHPT-XOBRGWDASA-N 0 0 396.491 3.585 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)[C@H](C)c3c(C)nn(CC(F)(F)F)c3C)CCO2)o1 ZINC000182379323 883218618 /nfs/dbraw/zinc/21/86/18/883218618.db2.gz AKHPIDQLVFEXPP-MLGOLLRUSA-N 0 0 399.413 3.667 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3nnc(C(=O)Nc4ccc(C)cc4)s3)CCO2)o1 ZINC000182660735 883230213 /nfs/dbraw/zinc/23/02/13/883230213.db2.gz ZJCBOKHPYXIKSJ-KRWDZBQOSA-N 0 0 398.488 3.574 10 0 GHAERN CCNc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183142454 883240029 /nfs/dbraw/zinc/24/00/29/883240029.db2.gz IAJXQQZKFVZZER-UHFFFAOYSA-N 0 0 386.883 3.658 10 0 GHAERN COCc1nnc(-c2cccc(C(=O)N3CC=C(c4ccccc4)CC3)c2)o1 ZINC000182911221 883248607 /nfs/dbraw/zinc/24/86/07/883248607.db2.gz MCYMQYQIVREHAR-UHFFFAOYSA-N 0 0 375.428 3.813 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)CC2)n1 ZINC000183503667 883268597 /nfs/dbraw/zinc/26/85/97/883268597.db2.gz LXKWIKBDHYYXDA-OXQOHEQNSA-N 0 0 379.508 3.547 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2cccc(Cl)c2)c2ccc(F)cc2C1 ZINC000184017464 883299218 /nfs/dbraw/zinc/29/92/18/883299218.db2.gz DVOWRWPPNVFDFY-IBGZPJMESA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cnc(C(C)(C)C)s2)c2ccc(F)cc2C1 ZINC000184111358 883319164 /nfs/dbraw/zinc/31/91/64/883319164.db2.gz DXLDIDBAVBKDIU-MRXNPFEDSA-N 0 0 389.496 3.803 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1nc2ccccc2[nH]1 ZINC000184250180 883340679 /nfs/dbraw/zinc/34/06/79/883340679.db2.gz IVJJJVAUBVQWBE-HXUWFJFHSA-N 0 0 392.507 3.577 10 0 GHAERN CC(C)(C)C[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C(F)(F)F ZINC000184647524 883370071 /nfs/dbraw/zinc/37/00/71/883370071.db2.gz VEVVFZRTIKAELB-UONOGXRCSA-N 0 0 397.445 3.985 10 0 GHAERN CC(=O)c1ccc(F)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000184837370 883385766 /nfs/dbraw/zinc/38/57/66/883385766.db2.gz PYWORYPACZAWBG-UHFFFAOYSA-N 0 0 386.398 3.658 10 0 GHAERN CCSCC[C@H](C)N(C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185248484 883429838 /nfs/dbraw/zinc/42/98/38/883429838.db2.gz ZAQXUBZHZGEAIG-LIRRHRJNSA-N 0 0 395.544 3.792 10 0 GHAERN CCCCc1nnc(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)s1 ZINC000102524757 883525327 /nfs/dbraw/zinc/52/53/27/883525327.db2.gz LVXYCRJAFBLZPZ-AWEZNQCLSA-N 0 0 389.525 3.537 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2c(F)cccc2Cl)c2ccc(F)cc2C1 ZINC000185501894 883546436 /nfs/dbraw/zinc/54/64/36/883546436.db2.gz TYFZCFAFCABTBA-KRWDZBQOSA-N 0 0 378.806 3.842 10 0 GHAERN CCCOc1cccc(CC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185514948 883548923 /nfs/dbraw/zinc/54/89/23/883548923.db2.gz IMCNLRQLCDRKES-QFIPXVFZSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(C)n(C3CC3)c2C)c2ccc(F)cc2C1 ZINC000185541387 883554165 /nfs/dbraw/zinc/55/41/65/883554165.db2.gz CCWSCAVXVROERQ-NRFANRHFSA-N 0 0 383.467 3.802 10 0 GHAERN CCCOc1cccc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185554438 883555214 /nfs/dbraw/zinc/55/52/14/883555214.db2.gz LNKWKZVLNMREPO-OAQYLSRUSA-N 0 0 384.451 3.838 10 0 GHAERN Cc1oc2ccccc2c1CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000185598678 883560813 /nfs/dbraw/zinc/56/08/13/883560813.db2.gz PBEHPNMEMYJHGV-INIZCTEOSA-N 0 0 389.459 3.873 10 0 GHAERN CCc1c(C(=O)N2CCC(Cc3nccn3C)CC2)cnn1-c1ccccc1C ZINC000186201700 883621858 /nfs/dbraw/zinc/62/18/58/883621858.db2.gz ITGTXFOVGGMTSC-UHFFFAOYSA-N 0 0 391.519 3.572 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000186266748 883634600 /nfs/dbraw/zinc/63/46/00/883634600.db2.gz DPCQAIDHWBDPFE-UHFFFAOYSA-N 0 0 380.488 3.894 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCO[C@H](CCc4ccccc4)C3)ccc2NC1=O ZINC000186625955 883676841 /nfs/dbraw/zinc/67/68/41/883676841.db2.gz JJQSHPRUYOPBES-LJQANCHMSA-N 0 0 394.475 3.529 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186644889 883680271 /nfs/dbraw/zinc/68/02/71/883680271.db2.gz MBOFLFYEFQWIRQ-SFHVURJKSA-N 0 0 394.475 3.912 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC(OCC4CCCC4)CC3)ccc2NC1=O ZINC000186648732 883680402 /nfs/dbraw/zinc/68/04/02/883680402.db2.gz ZJFVQIQCBYQHFH-UHFFFAOYSA-N 0 0 386.496 3.867 10 0 GHAERN C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186651799 883683068 /nfs/dbraw/zinc/68/30/68/883683068.db2.gz OOJPAINTLNKCRW-CQSZACIVSA-N 0 0 399.520 3.636 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccsc2)O1 ZINC000186676265 883686241 /nfs/dbraw/zinc/68/62/41/883686241.db2.gz CCQSQULYSGMGIO-SJKOYZFVSA-N 0 0 386.477 3.719 10 0 GHAERN CC(C)COC[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccco1 ZINC000186741337 883698708 /nfs/dbraw/zinc/69/87/08/883698708.db2.gz JYYNOIOBTOWDTK-MRXNPFEDSA-N 0 0 392.525 3.736 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCC(Nc4nccs4)CC3)c21 ZINC000186928000 883717704 /nfs/dbraw/zinc/71/77/04/883717704.db2.gz AZXNTYMDZDXJAV-UHFFFAOYSA-N 0 0 383.521 3.761 10 0 GHAERN CC(C)(C)OC(=O)CCCCCNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187350037 883770047 /nfs/dbraw/zinc/77/00/47/883770047.db2.gz FBFVPXAQLBGUPZ-UHFFFAOYSA-N 0 0 396.557 3.631 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)Oc1ccc3c(c1)CCC3=O)CC2 ZINC000187589265 883801121 /nfs/dbraw/zinc/80/11/21/883801121.db2.gz MHTZBUXPMPZLRA-GFCCVEGCSA-N 0 0 390.361 3.643 10 0 GHAERN O=C(NCCCc1nc2ccccc2[nH]1)N1CC2(CCOCC2)c2ccccc21 ZINC000188100782 883822816 /nfs/dbraw/zinc/82/28/16/883822816.db2.gz BMLJZQKHIRAPIX-UHFFFAOYSA-N 0 0 390.487 3.774 10 0 GHAERN COc1cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c(SC)cc1OC ZINC000188487074 883852847 /nfs/dbraw/zinc/85/28/47/883852847.db2.gz FNEWNVNIKUBIRZ-ZDUSSCGKSA-N 0 0 376.526 3.717 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000188689681 883870452 /nfs/dbraw/zinc/87/04/52/883870452.db2.gz JMQWWLQRANPKJY-INIZCTEOSA-N 0 0 391.427 3.592 10 0 GHAERN C[C@@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[C@H]1COc2ccccc21 ZINC000188906789 883883874 /nfs/dbraw/zinc/88/38/74/883883874.db2.gz BXECOQSDYNTLJQ-CXAGYDPISA-N 0 0 386.448 3.599 10 0 GHAERN CCc1ccc([C@H](COC)NC(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000189272829 883926856 /nfs/dbraw/zinc/92/68/56/883926856.db2.gz KSZAXGOVYIBPER-SFHVURJKSA-N 0 0 384.476 3.808 10 0 GHAERN COc1ccccc1O[C@@H](C)CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189341585 883938875 /nfs/dbraw/zinc/93/88/75/883938875.db2.gz ZROVPPQEINODLG-KRWDZBQOSA-N 0 0 396.487 3.741 10 0 GHAERN COCCc1ccccc1NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000189488975 883947485 /nfs/dbraw/zinc/94/74/85/883947485.db2.gz OUJVERHDYFLPED-KRWDZBQOSA-N 0 0 384.476 3.914 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc3ccc(C)nc32)cs1 ZINC000189440573 883955052 /nfs/dbraw/zinc/95/50/52/883955052.db2.gz AWNBIEADNNLEBG-KRWDZBQOSA-N 0 0 380.473 3.610 10 0 GHAERN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189834221 884014580 /nfs/dbraw/zinc/01/45/80/884014580.db2.gz NWPTWORLUCLQSA-HXUWFJFHSA-N 0 0 393.483 3.953 10 0 GHAERN Cc1c(C(=O)N2CC3(CCOCC3)c3ccccc32)cnn1Cc1ccccc1 ZINC000189827300 884014686 /nfs/dbraw/zinc/01/46/86/884014686.db2.gz RYUGZFIBPWNWNL-UHFFFAOYSA-N 0 0 387.483 3.948 10 0 GHAERN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1Cl ZINC000189871027 884018419 /nfs/dbraw/zinc/01/84/19/884018419.db2.gz ROODUKFZQQHBTD-NSHDSACASA-N 0 0 399.925 3.612 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000190075764 884036114 /nfs/dbraw/zinc/03/61/14/884036114.db2.gz JDLOKDFDSLHQOZ-PWSUYJOCSA-N 0 0 377.853 3.848 10 0 GHAERN Cn1ccc2cccc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)c21 ZINC000190051450 884045219 /nfs/dbraw/zinc/04/52/19/884045219.db2.gz TZMNDZLXROZYNS-UHFFFAOYSA-N 0 0 382.489 3.620 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](SCc2ccccc2)C(C)C)C1 ZINC000190054767 884045389 /nfs/dbraw/zinc/04/53/89/884045389.db2.gz ULSWOAXSKJVYOV-FGTMMUONSA-N 0 0 389.521 3.624 10 0 GHAERN CCCOCc1ccccc1CNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190312348 884067013 /nfs/dbraw/zinc/06/70/13/884067013.db2.gz MOLNBANGKZDQFD-UHFFFAOYSA-N 0 0 388.537 3.856 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3c(O)cccc32)c2ccc(F)cc2C1 ZINC000191034764 884146996 /nfs/dbraw/zinc/14/69/96/884146996.db2.gz AJPKRHLOFYICBS-LEWJYISDSA-N 0 0 396.462 3.561 10 0 GHAERN COc1ccc(NC(=O)[C@H](C)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000192291011 884248345 /nfs/dbraw/zinc/24/83/45/884248345.db2.gz QZORBGIVPXQMDL-INIZCTEOSA-N 0 0 396.487 3.599 10 0 GHAERN CCCNc1ccc(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000192502164 884277359 /nfs/dbraw/zinc/27/73/59/884277359.db2.gz NOCLPVKJVDOPFP-UHFFFAOYSA-N 0 0 381.524 3.680 10 0 GHAERN CCCNc1ccc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000192592911 884283910 /nfs/dbraw/zinc/28/39/10/884283910.db2.gz TYTJVZYSXSLDNI-GOSISDBHSA-N 0 0 392.507 3.640 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000193258509 884334602 /nfs/dbraw/zinc/33/46/02/884334602.db2.gz CZGGPVRCMPBTNL-UYAOXDASSA-N 0 0 378.476 3.834 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1CCCO[C@@H]1c1ccccc1)C2 ZINC000193406588 884351800 /nfs/dbraw/zinc/35/18/00/884351800.db2.gz IDHDPWPJNIAFQO-RBBKRZOGSA-N 0 0 378.472 3.698 10 0 GHAERN Cc1ccc(C(N)=O)cc1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000105370954 884776241 /nfs/dbraw/zinc/77/62/41/884776241.db2.gz LSCCINVSWNJUKT-QFIPXVFZSA-N 0 0 385.467 3.836 10 0 GHAERN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccoc3)no2)C1=O ZINC000105571375 884813135 /nfs/dbraw/zinc/81/31/35/884813135.db2.gz RWSMYYUXMAACNN-FQEVSTJZSA-N 0 0 398.394 3.606 10 0 GHAERN c1cc(-c2noc(COc3ccc(-c4noc([C@H]5CCCO5)n4)cc3)n2)co1 ZINC000105573788 884813745 /nfs/dbraw/zinc/81/37/45/884813745.db2.gz ROXMNLRCACAUSQ-OAHLLOKOSA-N 0 0 380.360 3.810 10 0 GHAERN C[C@H](C(=O)N(C)C1CCCCC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692198 884833992 /nfs/dbraw/zinc/83/39/92/884833992.db2.gz REXXEJUTMKUCSP-WSVYEEACSA-N 0 0 392.384 3.939 10 0 GHAERN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000103241580 884868762 /nfs/dbraw/zinc/86/87/62/884868762.db2.gz GKNQAEQSEUQWDH-AWEZNQCLSA-N 0 0 385.899 3.918 10 0 GHAERN 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C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000117636034 886389366 /nfs/dbraw/zinc/38/93/66/886389366.db2.gz CCRXIBYADMGVCT-VFNWGFHPSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117641912 886389471 /nfs/dbraw/zinc/38/94/71/886389471.db2.gz WHQZWPAJVLEEQX-YWZLYKJASA-N 0 0 396.512 3.687 10 0 GHAERN O=C(Nc1ccccc1CN1CCOCC1)N1CC=C(c2cccs2)CC1 ZINC000118014272 886399630 /nfs/dbraw/zinc/39/96/30/886399630.db2.gz ARTIZPPOEBVOAO-UHFFFAOYSA-N 0 0 383.517 3.902 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H]3CCCc4cc(F)ccc43)C2)n1 ZINC000119247580 886440531 /nfs/dbraw/zinc/44/05/31/886440531.db2.gz KQJSHWKWAZRRSH-JXFKEZNVSA-N 0 0 385.487 3.533 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(Cc1cccs1)C[C@H]1CCCO1)CCC2 ZINC000332707148 886539764 /nfs/dbraw/zinc/53/97/64/886539764.db2.gz IQDRUCDZLFMKCQ-IAGOWNOFSA-N 0 0 388.537 3.521 10 0 GHAERN Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1NC(=O)CC(C)C ZINC000121966971 886572808 /nfs/dbraw/zinc/57/28/08/886572808.db2.gz ZKKHWTWCVBQVCI-UHFFFAOYSA-N 0 0 396.535 3.808 10 0 GHAERN Cc1nc([C@H](NC(=O)NCCc2cc3ccccc3[nH]2)c2ccccc2F)no1 ZINC000124024806 886699328 /nfs/dbraw/zinc/69/93/28/886699328.db2.gz NKNXQPRWHUJMJY-LJQANCHMSA-N 0 0 393.422 3.630 10 0 GHAERN COc1cc(F)c(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)cc1OC ZINC000125832984 886905341 /nfs/dbraw/zinc/90/53/41/886905341.db2.gz ODCARGHWVWSIEN-UHFFFAOYSA-N 0 0 384.407 3.779 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000125869806 886907525 /nfs/dbraw/zinc/90/75/25/886907525.db2.gz GRWVJRWIVPCSKZ-VOMSXAGXSA-N 0 0 375.428 3.592 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000126366973 886962992 /nfs/dbraw/zinc/96/29/92/886962992.db2.gz KFDFZSDBXHRKEN-LEWJYISDSA-N 0 0 396.531 3.953 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)ccc1F ZINC000128060647 887141690 /nfs/dbraw/zinc/14/16/90/887141690.db2.gz XJIPMZBJMFCZKA-FHVRUZERSA-N 0 0 383.398 3.626 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)Nc1nc(-c2cccc(F)c2)cs1 ZINC000046434882 887195701 /nfs/dbraw/zinc/19/57/01/887195701.db2.gz PHBNVGTZOLHSSE-UHFFFAOYSA-N 0 0 395.419 3.966 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)cc1F ZINC000129475609 887303634 /nfs/dbraw/zinc/30/36/34/887303634.db2.gz VVNIGYGMDSUSCE-GOSISDBHSA-N 0 0 376.451 3.814 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)C1 ZINC000048046524 887402123 /nfs/dbraw/zinc/40/21/23/887402123.db2.gz ZJXCHOOANAPCPX-OAHLLOKOSA-N 0 0 392.927 3.677 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000133672934 887788906 /nfs/dbraw/zinc/78/89/06/887788906.db2.gz SDTIFIHCOPEKHA-MRXNPFEDSA-N 0 0 398.511 3.586 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)CCO2)o1 ZINC000133985709 887824246 /nfs/dbraw/zinc/82/42/46/887824246.db2.gz ZTGMLQOMBBKIQD-SFHVURJKSA-N 0 0 379.416 3.729 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000134298762 887850014 /nfs/dbraw/zinc/85/00/14/887850014.db2.gz CIWWHRGHFHTTAI-RTWAWAEBSA-N 0 0 375.472 3.673 10 0 GHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134376805 887865600 /nfs/dbraw/zinc/86/56/00/887865600.db2.gz GUYGAZJRDDDQES-OPYAIIAOSA-N 0 0 399.535 3.591 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000134646729 887896077 /nfs/dbraw/zinc/89/60/77/887896077.db2.gz BMNAFPRVZBONPT-SFHVURJKSA-N 0 0 379.464 3.590 10 0 GHAERN O=C(CCc1cc(F)ccc1F)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000053504165 888230519 /nfs/dbraw/zinc/23/05/19/888230519.db2.gz ONHQNSHXKGBKQF-UHFFFAOYSA-N 0 0 378.463 3.585 10 0 GHAERN Cn1cc(NC(=O)N2CC=C(c3cccs3)CC2)cc(Br)c1=O ZINC000136649485 888307095 /nfs/dbraw/zinc/30/70/95/888307095.db2.gz JIHWUQKOWGTCCB-UHFFFAOYSA-N 0 0 394.294 3.531 10 0 GHAERN O=C(Nc1ccc(F)cc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137100451 888333402 /nfs/dbraw/zinc/33/34/02/888333402.db2.gz HWTQZXQJLRQFDS-CYBMUJFWSA-N 0 0 380.217 3.668 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000193840560 888530861 /nfs/dbraw/zinc/53/08/61/888530861.db2.gz QCEDTZAULVHACI-OAQYLSRUSA-N 0 0 393.531 3.690 10 0 GHAERN Cc1c(C(=O)N2CC=C(c3cccs3)CC2)nnn1Cc1ccc(F)cc1 ZINC000194389036 888580480 /nfs/dbraw/zinc/58/04/80/888580480.db2.gz UCFDGHXJDLAVLV-UHFFFAOYSA-N 0 0 382.464 3.765 10 0 GHAERN O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@H]1CCCc2cccnc21 ZINC000194541724 888613036 /nfs/dbraw/zinc/61/30/36/888613036.db2.gz GTOUJEQKROEPSX-HNNXBMFYSA-N 0 0 394.866 3.647 10 0 GHAERN COc1cccc(C2CCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000194787576 888619709 /nfs/dbraw/zinc/61/97/09/888619709.db2.gz LERDRJCHUCYNOZ-FQEVSTJZSA-N 0 0 396.512 3.904 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCC[C@H](c4nccs4)C3)o2)o1 ZINC000195349952 888683574 /nfs/dbraw/zinc/68/35/74/888683574.db2.gz KJIJCQRPVCBDDO-JTQLQIEISA-N 0 0 395.282 3.928 10 0 GHAERN C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(c2ccnn2CCO)CC1 ZINC000195513453 888684881 /nfs/dbraw/zinc/68/48/81/888684881.db2.gz 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891321889 /nfs/dbraw/zinc/32/18/89/891321889.db2.gz LYNRELNNXZJOPL-NCXUSEDFSA-N 0 0 392.927 3.609 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cs2)cc1 ZINC000247353398 891371311 /nfs/dbraw/zinc/37/13/11/891371311.db2.gz JYPBYJYHKUOJAY-OTWHNJEPSA-N 0 0 386.517 3.647 10 0 GHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1-c1ncco1 ZINC000247966317 891403640 /nfs/dbraw/zinc/40/36/40/891403640.db2.gz GVQVGAFEFAETOC-JENIJYKNSA-N 0 0 398.507 3.756 10 0 GHAERN CCS[C@H](C)c1noc(C[S@@](=O)[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000247974915 891404122 /nfs/dbraw/zinc/40/41/22/891404122.db2.gz KPCOPKBSPQDJFK-DYTRLKRPSA-N 0 0 392.506 3.944 10 0 GHAERN CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)o1 ZINC000248569723 891428958 /nfs/dbraw/zinc/42/89/58/891428958.db2.gz QFOVXXZCPBARCY-JXFKEZNVSA-N 0 0 399.491 3.673 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)CCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000248617541 891446797 /nfs/dbraw/zinc/44/67/97/891446797.db2.gz 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CC1(C)CCCN1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000102920086 898049758 /nfs/dbraw/zinc/04/97/58/898049758.db2.gz YJTWPFVUKXEPFP-UHFFFAOYSA-N 0 0 393.516 3.822 10 0 GHAERN COc1ccccc1C(C)(C)NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000103299559 898082668 /nfs/dbraw/zinc/08/26/68/898082668.db2.gz KIICTYWQEGZAIO-OAHLLOKOSA-N 0 0 379.464 3.571 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000333385266 902054570 /nfs/dbraw/zinc/05/45/70/902054570.db2.gz BMWUPKBMUJDQEY-VNTMZGSJSA-N 0 0 392.459 3.559 10 0 GHAERN O=C(C[C@H]1CCOc2ccccc21)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000333530772 902166853 /nfs/dbraw/zinc/16/68/53/902166853.db2.gz YAFKMTODXOAMIK-ZIAGYGMSSA-N 0 0 393.409 3.537 10 0 GHAERN Cc1nc([C@H]2CN(c3cc4nccc(Br)c4cc3C)CCO2)no1 ZINC000333554552 902187509 /nfs/dbraw/zinc/18/75/09/902187509.db2.gz NBDNPGYQNABKMO-MRXNPFEDSA-N 0 0 389.253 3.575 10 0 GHAERN Cc1ccc(Cc2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)c(Br)c1 ZINC000333805449 902339363 /nfs/dbraw/zinc/33/93/63/902339363.db2.gz GYFJBDFIJKIHDJ-QAPCUYQASA-N 0 0 392.297 3.657 10 0 GHAERN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)cc12 ZINC000333985313 902480147 /nfs/dbraw/zinc/48/01/47/902480147.db2.gz FXSZDXSDCCWTFC-JJRVBVJISA-N 0 0 399.491 3.768 10 0 GHAERN Cc1noc(-c2cccnc2N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000334037325 902520360 /nfs/dbraw/zinc/52/03/60/902520360.db2.gz NOILZVLUPCRJBH-AWEZNQCLSA-N 0 0 382.386 3.625 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182579066 907233179 /nfs/dbraw/zinc/23/31/79/907233179.db2.gz PZOFOABHACEYFQ-QZTJIDSGSA-N 0 0 395.507 3.765 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183065690 907320525 /nfs/dbraw/zinc/32/05/25/907320525.db2.gz MCLSWDZQZLIWNV-OAHLLOKOSA-N 0 0 383.452 3.995 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000189428358 908320206 /nfs/dbraw/zinc/32/02/06/908320206.db2.gz OTZDOKRXVKZLOP-ZWKOTPCHSA-N 0 0 387.484 3.608 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000190062849 908416160 /nfs/dbraw/zinc/41/61/60/908416160.db2.gz SIIUTOJRKAOGTN-RTBURBONSA-N 0 0 399.491 3.528 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000190060613 908416424 /nfs/dbraw/zinc/41/64/24/908416424.db2.gz KNJNKVDKOFHGAZ-XZJROXQQSA-N 0 0 397.397 3.564 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000190075073 908420449 /nfs/dbraw/zinc/42/04/49/908420449.db2.gz DWBWKIYOIGYSGO-UYAOXDASSA-N 0 0 377.444 3.571 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000190115262 908429869 /nfs/dbraw/zinc/42/98/69/908429869.db2.gz KEMOZAYLUHAUGV-ZFWWWQNUSA-N 0 0 394.859 3.813 10 0 GHAERN CCCOc1ccc(Cl)cc1NC(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190121027 908431476 /nfs/dbraw/zinc/43/14/76/908431476.db2.gz ZQDLISUACOADPF-UKRRQHHQSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC000190125817 908432529 /nfs/dbraw/zinc/43/25/29/908432529.db2.gz MVBMIDANELWWME-ROUUACIJSA-N 0 0 388.468 3.797 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000190129390 908433853 /nfs/dbraw/zinc/43/38/53/908433853.db2.gz XVSFBJRDRGLCFX-UKRRQHHQSA-N 0 0 399.451 3.811 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192289795 908755495 /nfs/dbraw/zinc/75/54/95/908755495.db2.gz QSAFHQJVSSMMLS-LLVKDONJSA-N 0 0 386.200 3.605 10 0 GHAERN O=C(OCCCc1nc2ccccc2s1)c1ccc(-n2cnnn2)cc1Cl ZINC000103802656 911035945 /nfs/dbraw/zinc/03/59/45/911035945.db2.gz VPEJUSGGSBFDKV-UHFFFAOYSA-N 0 0 399.863 3.715 10 0 GHAERN CCOc1ccccc1C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C ZINC000103816167 911198731 /nfs/dbraw/zinc/19/87/31/911198731.db2.gz UVNNBYVMVHXQDR-KRWDZBQOSA-N 0 0 384.476 3.666 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccco2)c2ccc(F)cc2C1 ZINC000184029671 1014571585 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COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CCC(C)CC3)o2)cc1 ZINC000005042540 204106319 /nfs/dbraw/zinc/10/63/19/204106319.db2.gz VFSQVCLBTFWLRT-UHFFFAOYSA-N 0 0 391.489 3.571 10 0 GHAERN O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 ZINC000005613035 204143596 /nfs/dbraw/zinc/14/35/96/204143596.db2.gz CSRNHDGADKBGKO-UHFFFAOYSA-N 0 0 384.564 3.937 10 0 GHAERN O=C(CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21)NC1CCCCC1 ZINC000006796878 204206634 /nfs/dbraw/zinc/20/66/34/204206634.db2.gz WVTFIILVYVXYGU-OAQYLSRUSA-N 0 0 393.487 3.777 10 0 GHAERN CCN(CC)C(=O)c1ccccc1C(=O)Nc1ncc(-c2ccccc2)n1C ZINC000006605548 204187015 /nfs/dbraw/zinc/18/70/15/204187015.db2.gz ZPHMUABTPHJFQA-UHFFFAOYSA-N 0 0 376.460 3.821 10 0 GHAERN CCc1nc2ccccc2c(N(CCC(=O)NCC(C)C)Cc2ccco2)n1 ZINC000006766240 204201909 /nfs/dbraw/zinc/20/19/09/204201909.db2.gz AHIDUYFWOOELGA-UHFFFAOYSA-N 0 0 380.492 3.954 10 0 GHAERN CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1F)C(=O)CC(C)(C)C ZINC000006775600 204203161 /nfs/dbraw/zinc/20/31/61/204203161.db2.gz ONCBSTKLSKAWST-JOCHJYFZSA-N 0 0 399.510 3.844 10 0 GHAERN CCc1nnc(OCC(=O)NCc2ccc(C)cc2)c2cc3cc(F)ccc3n21 ZINC000008913738 204293249 /nfs/dbraw/zinc/29/32/49/204293249.db2.gz FWZOVDQHWDCUIE-UHFFFAOYSA-N 0 0 392.434 3.588 10 0 GHAERN CCCc1nc2cccnc2n1C1CCN(C(=O)[C@H]2CCOC(C)(C)C2)CC1 ZINC000012246435 204386927 /nfs/dbraw/zinc/38/69/27/204386927.db2.gz ZMDHOPVDKFYZQO-INIZCTEOSA-N 0 0 384.524 3.753 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019666944 204670371 /nfs/dbraw/zinc/67/03/71/204670371.db2.gz QNDPJNKYRBJAMS-GOSISDBHSA-N 0 0 380.831 3.949 10 0 GHAERN COc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccccc2C)CC3)cc1 ZINC000034924500 204981256 /nfs/dbraw/zinc/98/12/56/204981256.db2.gz CGRPSXFAEABRRE-UHFFFAOYSA-N 0 0 396.512 3.716 10 0 GHAERN C[C@@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)c1cccs1 ZINC000037356000 205025720 /nfs/dbraw/zinc/02/57/20/205025720.db2.gz RXSRUOVQQJQTPP-CQSZACIVSA-N 0 0 398.463 3.820 10 0 GHAERN CCOC(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)[C@@H](C)CC)cc1 ZINC000038806990 205038494 /nfs/dbraw/zinc/03/84/94/205038494.db2.gz SLDIWPBQKFGJKM-YWZLYKJASA-N 0 0 396.487 3.955 10 0 GHAERN Cc1c(CC(=O)NCc2ccncc2)c2c(n1Cc1ccccc1)CCCC2=O ZINC000039394649 205042501 /nfs/dbraw/zinc/04/25/01/205042501.db2.gz VWECVSNYWORMGK-UHFFFAOYSA-N 0 0 387.483 3.618 10 0 GHAERN CCc1cccc2sc(NC(=O)CCc3nc4ccccc4[nH]c3=O)nc21 ZINC000040839322 205072524 /nfs/dbraw/zinc/07/25/24/205072524.db2.gz RTMFLYSQCAWLKS-UHFFFAOYSA-N 0 0 378.457 3.667 10 0 GHAERN COc1ccc(Cn2c(C[NH+]3CCC(C(=O)[O-])CC3)cc3ccccc32)cc1 ZINC000049453645 205126612 /nfs/dbraw/zinc/12/66/12/205126612.db2.gz XLQKZOSPYXPXFT-UHFFFAOYSA-N 0 0 378.472 3.995 10 0 GHAERN COCCc1noc(-c2cnc3nc(C)ccc3c2NCc2ccc(F)cc2)n1 ZINC000065250692 205222831 /nfs/dbraw/zinc/22/28/31/205222831.db2.gz JYQLCPXIUHRLGY-UHFFFAOYSA-N 0 0 393.422 3.928 10 0 GHAERN O=C(NCCc1ccccn1)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266270 205224513 /nfs/dbraw/zinc/22/45/13/205224513.db2.gz UDIPWQAGHCNDEK-GOSISDBHSA-N 0 0 397.544 3.525 10 0 GHAERN CC1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(=O)N2CCC(C)CC2)C3)CC1 ZINC000065272625 205226667 /nfs/dbraw/zinc/22/66/67/205226667.db2.gz NITPDBIJYDTFBS-QGZVFWFLSA-N 0 0 388.577 3.984 10 0 GHAERN Fc1cc(Br)cc(Cl)c1NCc1nnnn1-c1ccccc1 ZINC000225492373 206050992 /nfs/dbraw/zinc/05/09/92/206050992.db2.gz NRNYMDIZLPBCFO-UHFFFAOYSA-N 0 0 382.624 3.829 10 0 GHAERN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)C[C@](C)(O)[C@H]21 ZINC000252428567 206137814 /nfs/dbraw/zinc/13/78/14/206137814.db2.gz MRAJWLXFXCCZEB-YOCVKEFZSA-N 0 0 386.488 3.761 10 0 GHAERN CCOC(=O)c1cc2c(ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2C)o1 ZINC000091691512 136177007 /nfs/dbraw/zinc/17/70/07/136177007.db2.gz MEAIAKVRUHPFEA-UHFFFAOYSA-N 0 0 388.464 3.975 10 0 GHAERN CCCN(C)C(=O)c1cc(-c2cnc(COC)nc2)nc2c(C)c(C)ccc12 ZINC000023580763 221601075 /nfs/dbraw/zinc/60/10/75/221601075.db2.gz QHWSJPAUSOMYIQ-UHFFFAOYSA-N 0 0 378.476 3.937 10 0 GHAERN C[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1cccc(Br)c1 ZINC000028048108 221666615 /nfs/dbraw/zinc/66/66/15/221666615.db2.gz UBLOXSUMBHEHPJ-VIFPVBQESA-N 0 0 375.675 3.537 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1 ZINC000033272193 518200910 /nfs/dbraw/zinc/20/09/10/518200910.db2.gz WWIXNABQJHNWDE-UHFFFAOYSA-N 0 0 394.862 3.886 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)[C@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000032973842 570561266 /nfs/dbraw/zinc/56/12/66/570561266.db2.gz RUNCFULPWYZRSL-LJQANCHMSA-N 0 0 383.448 3.535 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019666947 570641732 /nfs/dbraw/zinc/64/17/32/570641732.db2.gz QNDPJNKYRBJAMS-SFHVURJKSA-N 0 0 380.831 3.949 10 0 GHAERN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000021870988 570751809 /nfs/dbraw/zinc/75/18/09/570751809.db2.gz BQSNKMCRWXDSFV-FQEVSTJZSA-N 0 0 375.384 3.590 10 0 GHAERN Cc1ccsc1C(=O)N1CC[C@@]2(C1)NCc1ccccc1NC2=NC(C)(C)C ZINC000065265956 570768921 /nfs/dbraw/zinc/76/89/21/570768921.db2.gz SRTFFEUJUVFLAL-QFIPXVFZSA-N 0 0 396.560 3.863 10 0 GHAERN COc1cccc(C(=O)[C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c1 ZINC000015062692 570874859 /nfs/dbraw/zinc/87/48/59/570874859.db2.gz QUAAFYWLUVRCMI-QGZVFWFLSA-N 0 0 391.471 3.626 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1c1ccn(COCC[Si](C)(C)C)n1 ZINC000675058479 570903191 /nfs/dbraw/zinc/90/31/91/570903191.db2.gz HVZCUEZQJWRPMW-ZBFHGGJFSA-N 0 0 383.565 3.550 10 0 GHAERN CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@@H](c2ccccc2)C1 ZINC000012765483 571015432 /nfs/dbraw/zinc/01/54/32/571015432.db2.gz PUPHICALDCTHQK-HXUWFJFHSA-N 0 0 389.455 3.661 10 0 GHAERN NC(=O)[C@H](N[C@@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1 ZINC000105400651 837545460 /nfs/dbraw/zinc/54/54/60/837545460.db2.gz OLAFDQMRKAOMHH-QZTJIDSGSA-N 0 0 385.261 3.948 10 0 GHAERN Cc1cc(Br)ccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156639668 834469278 /nfs/dbraw/zinc/46/92/78/834469278.db2.gz IEAHBGMBJFJZSR-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN C/C(=C/C(=O)Nc1cn(Cc2ccccc2)nn1)c1ccccc1OC(F)F ZINC000588611302 834746984 /nfs/dbraw/zinc/74/69/84/834746984.db2.gz SIHUHUPMNVKNRB-KAMYIIQDSA-N 0 0 384.386 3.970 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)Cc3nnn(-c4ccccc4)c3C)C2)sc1C ZINC000329505014 835158168 /nfs/dbraw/zinc/15/81/68/835158168.db2.gz AFWYYJDDYUQDTG-KRWDZBQOSA-N 0 0 395.532 3.598 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000187306326 835224262 /nfs/dbraw/zinc/22/42/62/835224262.db2.gz CONMHYCUOCORJB-UHFFFAOYSA-N 0 0 393.413 3.680 10 0 GHAERN NC(=O)c1cc([C@H]2CCCN(C(=O)c3ccc(C4CCCCC4)cc3)C2)n[nH]1 ZINC000329662465 835558274 /nfs/dbraw/zinc/55/82/74/835558274.db2.gz OVBRYGPEZUEPGE-SFHVURJKSA-N 0 0 380.492 3.576 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cc1 ZINC000329677020 835654344 /nfs/dbraw/zinc/65/43/44/835654344.db2.gz PVKDBACYPNNOKA-VWNVYAMZSA-N 0 0 383.492 3.939 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3csc(CC(=O)Nc4ccccc4)n3)CCO2)o1 ZINC000159139110 835738092 /nfs/dbraw/zinc/73/80/92/835738092.db2.gz LOEOCYIPSHKFEI-IBGZPJMESA-N 0 0 397.500 3.799 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000245980078 835782642 /nfs/dbraw/zinc/78/26/42/835782642.db2.gz YCKLVTFMGSJLNN-ZACQAIPSSA-N 0 0 384.549 3.884 10 0 GHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC000102084824 835792391 /nfs/dbraw/zinc/79/23/91/835792391.db2.gz INPRCCVWPLHWKR-UHFFFAOYSA-N 0 0 377.419 3.793 10 0 GHAERN Cc1cccc2c(=O)[nH]c(C(Cl)=Cc3ccc4c(c3)sc(=O)n4C)nc12 ZINC000588590183 835793545 /nfs/dbraw/zinc/79/35/45/835793545.db2.gz FNVXGNDRODITFS-MDWZMJQESA-N 0 0 383.860 3.882 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)c2ccccc2)CCO1 ZINC000246107892 835968391 /nfs/dbraw/zinc/96/83/91/835968391.db2.gz NELBBRWDIOVAPE-ZRNYENFQSA-N 0 0 384.520 3.534 10 0 GHAERN O=c1ccc2cc(S(=O)(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)ccc2[nH]1 ZINC000329914516 836017307 /nfs/dbraw/zinc/01/73/07/836017307.db2.gz XWAHEEYMQIRVND-GXTWGEPZSA-N 0 0 388.411 3.587 10 0 GHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000112896046 836303038 /nfs/dbraw/zinc/30/30/38/836303038.db2.gz XDGLHAOXWRYQIU-HXUWFJFHSA-N 0 0 393.512 3.501 10 0 GHAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000332742461 836514128 /nfs/dbraw/zinc/51/41/28/836514128.db2.gz JAFYPUQQVIHXEN-UXLLHSPISA-N 0 0 395.569 3.585 10 0 GHAERN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000332765104 836576252 /nfs/dbraw/zinc/57/62/52/836576252.db2.gz KZAHMDAGPNJXCY-JXOCDABTSA-N 0 0 397.519 3.578 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c2ccccc21 ZINC000124877282 837297267 /nfs/dbraw/zinc/29/72/67/837297267.db2.gz HOSMZOPLBJZHGC-NLSFWIRASA-N 0 0 378.516 3.939 10 0 GHAERN COc1cc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)ccc1NC(C)=O ZINC000103315510 837302814 /nfs/dbraw/zinc/30/28/14/837302814.db2.gz CIAJGGGHFAKQSZ-OAQYLSRUSA-N 0 0 390.443 3.960 10 0 GHAERN O=C(COc1cc(Cl)ccc1Cl)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000142114868 844275863 /nfs/dbraw/zinc/27/58/63/844275863.db2.gz ZXEWZJOKCXKGEK-UHFFFAOYSA-N 0 0 390.226 3.761 10 0 GHAERN Cc1cc([C@H]2CCCN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)C2)[nH]n1 ZINC000407977263 838363135 /nfs/dbraw/zinc/36/31/35/838363135.db2.gz QJWVBPBVVQQXQW-JTQLQIEISA-N 0 0 392.283 3.732 10 0 GHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183222152 838916269 /nfs/dbraw/zinc/91/62/69/838916269.db2.gz ZWLAMLXNDXQSIQ-GVDBMIGSSA-N 0 0 391.585 3.915 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cs1 ZINC000330205722 839241815 /nfs/dbraw/zinc/24/18/15/839241815.db2.gz DRKLIZQKEFRHGS-INIZCTEOSA-N 0 0 378.519 3.691 10 0 GHAERN Cn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccccc1F ZINC000002523690 839466518 /nfs/dbraw/zinc/46/65/18/839466518.db2.gz MQVIYFKGWZACGU-UHFFFAOYSA-N 0 0 378.379 3.630 10 0 GHAERN O=C(OC/C=C\c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000588391196 840331511 /nfs/dbraw/zinc/33/15/11/840331511.db2.gz BULCAZSOYFWPPC-OICCZTGUSA-N 0 0 381.394 3.910 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000106369101 840928927 /nfs/dbraw/zinc/92/89/27/840928927.db2.gz OGISBZKEFLPVHT-CQSZACIVSA-N 0 0 388.320 3.870 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000106368785 840929226 /nfs/dbraw/zinc/92/92/26/840929226.db2.gz ZSYRCHUFKIMQDY-ZDUSSCGKSA-N 0 0 388.320 3.870 10 0 GHAERN C[C@H]1CCCN(c2cc(NCc3ccc(C(=O)N4CCCCC4)cc3)ncn2)C1 ZINC000301237813 841159879 /nfs/dbraw/zinc/15/98/79/841159879.db2.gz KYNRMZJOVDDHQK-SFHVURJKSA-N 0 0 393.535 3.951 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000408149365 841176129 /nfs/dbraw/zinc/17/61/29/841176129.db2.gz LDKFBJYGBMYTNA-YMAMQOFZSA-N 0 0 399.461 3.972 10 0 GHAERN O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408150016 841185533 /nfs/dbraw/zinc/18/55/33/841185533.db2.gz TXKYXPKOQYEQOL-BRWVUGGUSA-N 0 0 381.314 3.674 10 0 GHAERN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408154974 841290801 /nfs/dbraw/zinc/29/08/01/841290801.db2.gz OBIGCOTVVCSUBL-DJJJIMSYSA-N 0 0 378.444 3.856 10 0 GHAERN C[C@H](OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2o1 ZINC000588419897 841840360 /nfs/dbraw/zinc/84/03/60/841840360.db2.gz NBFLTXAXONDPHN-SUIFULHWSA-N 0 0 386.429 3.517 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CCCc4cc(F)ccc43)C2)n1 ZINC000119247462 841884290 /nfs/dbraw/zinc/88/42/90/841884290.db2.gz KQJSHWKWAZRRSH-UZLBHIALSA-N 0 0 385.487 3.533 10 0 GHAERN COc1ccc(NC(=O)/C=C\c2ccncn2)cc1NC(=O)c1cccc(F)c1 ZINC000588436687 842588004 /nfs/dbraw/zinc/58/80/04/842588004.db2.gz YVQLNUCUHPDJMU-VURMDHGXSA-N 0 0 392.390 3.529 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2c(C)n(C)c3ccccc32)cs1 ZINC000328873975 842753040 /nfs/dbraw/zinc/75/30/40/842753040.db2.gz JFNZIZSNXOITQQ-KRWDZBQOSA-N 0 0 375.519 3.777 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)no1 ZINC000329373055 861341718 /nfs/dbraw/zinc/34/17/18/861341718.db2.gz KMZNEPZUQPFSDX-TZMCWYRMSA-N 0 0 392.868 3.848 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000588443501 842764670 /nfs/dbraw/zinc/76/46/70/842764670.db2.gz SJIQAZAEYIMUPF-CABCVRRESA-N 0 0 395.532 3.689 10 0 GHAERN COc1cc(OC)c(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1Cl ZINC000162726950 842856208 /nfs/dbraw/zinc/85/62/08/842856208.db2.gz PEXANYXWSNNSKE-UHFFFAOYSA-N 0 0 392.887 3.577 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)n1 ZINC000408368704 842899152 /nfs/dbraw/zinc/89/91/52/842899152.db2.gz MFUXIFZHNRSDGA-CXAGYDPISA-N 0 0 384.505 3.596 10 0 GHAERN Cn1cnnc1[C@@H]1CCCN1C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000163131155 842966805 /nfs/dbraw/zinc/96/68/05/842966805.db2.gz IRJJPZSVSOSTNO-INIZCTEOSA-N 0 0 384.484 3.538 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000122571545 843125427 /nfs/dbraw/zinc/12/54/27/843125427.db2.gz MFOBIJDAVQJYJW-UVLALUNPSA-N 0 0 382.504 3.847 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000588453929 843333035 /nfs/dbraw/zinc/33/30/35/843333035.db2.gz FOGHSUQLMBGKGG-TUYSUELWSA-N 0 0 390.270 3.632 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000112306759 843351236 /nfs/dbraw/zinc/35/12/36/843351236.db2.gz NVKJBQHCPYJUKR-UHFFFAOYSA-N 0 0 379.485 3.527 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000588455078 843351717 /nfs/dbraw/zinc/35/17/17/843351717.db2.gz BAOZXOMPENAHTG-ZEVQVBBLSA-N 0 0 387.277 3.766 10 0 GHAERN O=C(CCc1ccc(Cl)s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306991 843352363 /nfs/dbraw/zinc/35/23/63/843352363.db2.gz LCTVBRGOTMMIEM-UHFFFAOYSA-N 0 0 382.938 3.770 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000588455516 843356801 /nfs/dbraw/zinc/35/68/01/843356801.db2.gz FOZFRJNBSUHDLR-HSNDNRACSA-N 0 0 381.476 3.785 10 0 GHAERN O=C(c1cc(Br)ccc1Br)N1CCC[C@@]12CCOC2 ZINC000311635849 843440959 /nfs/dbraw/zinc/44/09/59/843440959.db2.gz AWNUJANCFWUBAD-AWEZNQCLSA-N 0 0 389.087 3.607 10 0 GHAERN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000330316471 843668558 /nfs/dbraw/zinc/66/85/58/843668558.db2.gz PYQQUPNDBUDGSH-JSGCOSHPSA-N 0 0 385.514 3.588 10 0 GHAERN C[C@@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588480073 844879876 /nfs/dbraw/zinc/87/98/76/844879876.db2.gz ZMUYXDFOICHUTJ-FAXUNHAKSA-N 0 0 398.528 3.695 10 0 GHAERN C[C@H]1CN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@@]2(CCCOC2)O1 ZINC000332968361 845098303 /nfs/dbraw/zinc/09/83/03/845098303.db2.gz YPHXWMXJKDKSHS-IUTTZSMGSA-N 0 0 378.900 3.566 10 0 GHAERN COC1(C(F)(F)F)CCN(C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000333395217 845125374 /nfs/dbraw/zinc/12/53/74/845125374.db2.gz AEQQVOGWSCTUIC-STQMWFEESA-N 0 0 392.443 3.721 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3nnc(C(F)(F)F)s3)C2)cc1 ZINC000151639461 845370637 /nfs/dbraw/zinc/37/06/37/845370637.db2.gz URENOVWBZPXEHP-KOLCDFICSA-N 0 0 386.399 3.975 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3c3ccc(C)o3)C2)n(C)n1 ZINC000408446273 845488936 /nfs/dbraw/zinc/48/89/36/845488936.db2.gz JCTMPVPERVKVJA-ZWKOTPCHSA-N 0 0 385.512 3.536 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000151783197 845732189 /nfs/dbraw/zinc/73/21/89/845732189.db2.gz LSOMAJKSMYXQAN-GOEBONIOSA-N 0 0 388.489 3.509 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000118670258 847033661 /nfs/dbraw/zinc/03/36/61/847033661.db2.gz DUGLFSOHSBQVMZ-SFHVURJKSA-N 0 0 384.911 3.727 10 0 GHAERN CCOC(=O)N1CCC([C@@H](C)NC(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000588525001 847411158 /nfs/dbraw/zinc/41/11/58/847411158.db2.gz SENSXCIQTOHAMP-HLRDLLSLSA-N 0 0 381.476 3.621 10 0 GHAERN CC(C)(C)OC(=O)N1CC=C(CNC(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000588525318 847413771 /nfs/dbraw/zinc/41/37/71/847413771.db2.gz FAGMHINDBACVPT-HJWRWDBZSA-N 0 0 393.487 3.931 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C2)cc1 ZINC000152711038 847643858 /nfs/dbraw/zinc/64/38/58/847643858.db2.gz BNNXDEHAPDOIDS-DGCLKSJQSA-N 0 0 395.381 3.812 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Br)N1CCC(n2cncn2)CC1 ZINC000152829708 847769402 /nfs/dbraw/zinc/76/94/02/847769402.db2.gz GTGAZZDTMQTBAT-UHFFFAOYSA-N 0 0 384.665 3.563 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(OC[C@H]4CCCO4)c3)CCO2)o1 ZINC000153381286 848422091 /nfs/dbraw/zinc/42/20/91/848422091.db2.gz YIHLIJQEYBBADV-QUCCMNQESA-N 0 0 386.448 3.751 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000588551744 848470181 /nfs/dbraw/zinc/47/01/81/848470181.db2.gz NNWJSDIRWGNGSL-SREVYHEPSA-N 0 0 378.900 3.860 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3N3C[C@@H](C)O[C@@H](C)C3)CCO2)o1 ZINC000153569595 848679130 /nfs/dbraw/zinc/67/91/30/848679130.db2.gz NSVVTWFFLAJNRX-FVJLSDCUSA-N 0 0 399.491 3.807 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2nc(C(F)(F)F)cs2)CC1 ZINC000153577032 848679933 /nfs/dbraw/zinc/67/99/33/848679933.db2.gz WLWQQQCYRDMNKW-UHFFFAOYSA-N 0 0 375.441 3.572 10 0 GHAERN C/C(=C/C(=O)N1Cc2cnnn2Cc2ccccc21)c1ccccc1OC(F)F ZINC000588562083 848800501 /nfs/dbraw/zinc/80/05/01/848800501.db2.gz UGSMSGNFJIMYES-UVTDQMKNSA-N 0 0 396.397 3.878 10 0 GHAERN FC(F)(F)c1cccc(-c2noc(CN3CCCC[C@@H]3c3nc[nH]n3)n2)c1 ZINC000121780404 848829186 /nfs/dbraw/zinc/82/91/86/848829186.db2.gz PRHPHJKCZLOXRU-CYBMUJFWSA-N 0 0 378.358 3.601 10 0 GHAERN CCOC1CC(CCNS(=O)(=O)/C=C\c2cccc(Br)c2)C1 ZINC000588568282 849342827 /nfs/dbraw/zinc/34/28/27/849342827.db2.gz SXIWAYGDAODPQV-CLFYSBASSA-N 0 0 388.327 3.544 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)CCCc2csc(C)n2)C1 ZINC000154685173 849350535 /nfs/dbraw/zinc/35/05/35/849350535.db2.gz RGCLAEHPPZRCPO-QZTJIDSGSA-N 0 0 386.517 3.580 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)C1 ZINC000329679088 862011760 /nfs/dbraw/zinc/01/17/60/862011760.db2.gz VVCBDPHPJFBMIU-BMGDILEWSA-N 0 0 391.581 3.751 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc2ccccc21 ZINC000155352521 849509608 /nfs/dbraw/zinc/50/96/08/849509608.db2.gz UWAZKFRPAIHHRI-KRWDZBQOSA-N 0 0 392.503 3.679 10 0 GHAERN C[C@H](O)C[C@@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000155440483 849528732 /nfs/dbraw/zinc/52/87/32/849528732.db2.gz BHRALMYSDVYFAN-HKUYNNGSSA-N 0 0 399.510 3.966 10 0 GHAERN COc1cc(/C=C/C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)ccc1F ZINC000155549282 849553089 /nfs/dbraw/zinc/55/30/89/849553089.db2.gz NUFNGEZWXTYIGA-CSKARUKUSA-N 0 0 396.462 3.516 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CCC[C@@H]2c2ccco2)nn1-c1cccc(Cl)c1 ZINC000156198046 849799888 /nfs/dbraw/zinc/79/98/88/849799888.db2.gz DUFKJFWCYGWTKQ-MRXNPFEDSA-N 0 0 383.835 3.765 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(Cc1cccc(O)c1)CC1CC1 ZINC000156406325 849910647 /nfs/dbraw/zinc/91/06/47/849910647.db2.gz YFUQWDNQYRAPQD-AWEZNQCLSA-N 0 0 393.409 3.678 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000164011824 851223736 /nfs/dbraw/zinc/22/37/36/851223736.db2.gz AJFKIADJFOKICA-NRFANRHFSA-N 0 0 377.488 3.526 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)CCN(Cc1ccccc1)C(C)=O ZINC000101860925 851960200 /nfs/dbraw/zinc/96/02/00/851960200.db2.gz PETZNVXMHSVTCH-QFIPXVFZSA-N 0 0 394.515 3.668 10 0 GHAERN CSc1cccc(N(C)C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1 ZINC000101870870 851965691 /nfs/dbraw/zinc/96/56/91/851965691.db2.gz WTGXTYRGPDYZCB-HNNXBMFYSA-N 0 0 376.428 3.703 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2O1 ZINC000122010159 852080813 /nfs/dbraw/zinc/08/08/13/852080813.db2.gz VVQAFGWKCDNSOW-PZJWPPBQSA-N 0 0 398.478 3.618 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000102017859 852117767 /nfs/dbraw/zinc/11/77/67/852117767.db2.gz FOKHIRYVVCVRJE-INIZCTEOSA-N 0 0 393.959 3.855 10 0 GHAERN CN(C(=O)N[C@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246850371 853315375 /nfs/dbraw/zinc/31/53/75/853315375.db2.gz VRXWJCAKBVDISS-CTNGQTDRSA-N 0 0 397.498 3.767 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC[C@@H](n3cc(C)cn3)C1)O[C@H](C)C2 ZINC000171887810 854263604 /nfs/dbraw/zinc/26/36/04/854263604.db2.gz WIZCBPHVLYVWDW-NVXWUHKLSA-N 0 0 384.480 3.783 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CCO2)n1 ZINC000328671047 854498238 /nfs/dbraw/zinc/49/82/38/854498238.db2.gz GWVRFHCQJNYHHB-UKRRQHHQSA-N 0 0 389.502 3.504 10 0 GHAERN CC(C)(C)c1csc([C@H]2CN(C(=O)c3snnc3C(C)(C)C)CCO2)n1 ZINC000328698786 854513974 /nfs/dbraw/zinc/51/39/74/854513974.db2.gz VFQLQQDVQRJULY-LLVKDONJSA-N 0 0 394.566 3.803 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)CCO2)n1 ZINC000328736923 854521759 /nfs/dbraw/zinc/52/17/59/854521759.db2.gz LLCXFHKPPGZLKR-OTWHNJEPSA-N 0 0 386.517 3.828 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)[nH]1 ZINC000328763032 854532461 /nfs/dbraw/zinc/53/24/61/854532461.db2.gz ZELJLTVVQULPGL-KKUMJFAQSA-N 0 0 394.397 3.869 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCC3(CCC3)C2)n1C[C@@H]1CCOC1 ZINC000328804460 854542471 /nfs/dbraw/zinc/54/24/71/854542471.db2.gz CRNLWWDPKYEZSK-BZSNNMDCSA-N 0 0 388.556 3.614 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)CC(C)(C)C1 ZINC000328887063 854598151 /nfs/dbraw/zinc/59/81/51/854598151.db2.gz PDOJCMIAFXNSMX-ZHALLVOQSA-N 0 0 382.508 3.630 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c(C)o1 ZINC000127226774 854943562 /nfs/dbraw/zinc/94/35/62/854943562.db2.gz RNZLKZLWNJFPKL-ZWNOBZJWSA-N 0 0 381.398 3.996 10 0 GHAERN O=[S@@](Cc1csc(Cc2ccccc2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105690009 855131845 /nfs/dbraw/zinc/13/18/45/855131845.db2.gz OJEJAVMVXBGVLO-AREMUKBSSA-N 0 0 385.470 3.826 10 0 GHAERN Cc1c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)[nH]c2c1C(=O)CCC2 ZINC000027628093 855422738 /nfs/dbraw/zinc/42/27/38/855422738.db2.gz VVLZWBKKMFWYDY-UHFFFAOYSA-N 0 0 385.895 3.766 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000190049112 855427617 /nfs/dbraw/zinc/42/76/17/855427617.db2.gz ZFWNBYYFCWGMME-GJZGRUSLSA-N 0 0 375.494 3.701 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000156347123 856058413 /nfs/dbraw/zinc/05/84/13/856058413.db2.gz FVPVUTVGTDJOAR-CQSZACIVSA-N 0 0 388.320 3.565 10 0 GHAERN CC1(C)C[C@@H](N2C(=O)N[C@H](c3ccc4c(c3)CCO4)C2=O)c2ccccc2O1 ZINC000330299103 862760983 /nfs/dbraw/zinc/76/09/83/862760983.db2.gz MCGIHNZJXSUGMY-VQIMIIECSA-N 0 0 378.428 3.721 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000185002456 856185501 /nfs/dbraw/zinc/18/55/01/856185501.db2.gz RJGXVSVYDYRKNE-HXUWFJFHSA-N 0 0 398.528 3.699 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Br ZINC000268916910 856285130 /nfs/dbraw/zinc/28/51/30/856285130.db2.gz OFQCSBYBPHCZDC-YVEFUNNKSA-N 0 0 383.286 3.617 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@H]4C)o3)CC2)no1 ZINC000042007776 856340689 /nfs/dbraw/zinc/34/06/89/856340689.db2.gz HPWKFNUETOTXNZ-DOUGMWDTSA-N 0 0 383.448 3.590 10 0 GHAERN C[C@@H](C(=O)NC1CCC(C)CC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692177 856955059 /nfs/dbraw/zinc/95/50/59/856955059.db2.gz BOHOQIZBOUAEAL-WQWBKGCVSA-N 0 0 392.384 3.843 10 0 GHAERN CN(C)c1ccnc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000113443997 857893791 /nfs/dbraw/zinc/89/37/91/857893791.db2.gz SJQKOYKGJNQYSS-QGZVFWFLSA-N 0 0 375.476 3.558 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000129889556 858152822 /nfs/dbraw/zinc/15/28/22/858152822.db2.gz PVDIEHUOUKGKJB-KRWDZBQOSA-N 0 0 378.428 3.584 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCC2 ZINC000135373723 859498458 /nfs/dbraw/zinc/49/84/58/859498458.db2.gz KFHJHVWIZYXWBS-YUTCNCBUSA-N 0 0 378.398 3.614 10 0 GHAERN CCOc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000105378609 859819991 /nfs/dbraw/zinc/81/99/91/859819991.db2.gz COVAAGOTQOTCSN-WMZOPIPTSA-N 0 0 396.487 3.633 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCc2cc(Br)ccc21 ZINC000162428566 859838297 /nfs/dbraw/zinc/83/82/97/859838297.db2.gz WDPVGCAGRPOUMX-HZMVEIRTSA-N 0 0 391.309 3.693 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163301794 859874459 /nfs/dbraw/zinc/87/44/59/859874459.db2.gz RLWVUVCHRVUREY-MAUKXSAKSA-N 0 0 383.471 3.788 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N2CCC([C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000252038409 859881132 /nfs/dbraw/zinc/88/11/32/859881132.db2.gz YXKSBIOBRAXGJY-CBGDNZLLSA-N 0 0 387.524 3.723 10 0 GHAERN CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000018131617 860200808 /nfs/dbraw/zinc/20/08/08/860200808.db2.gz XLIGGHMKZLYXDE-NRFANRHFSA-N 0 0 398.478 3.954 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000173888388 860444029 /nfs/dbraw/zinc/44/40/29/860444029.db2.gz VEACQJVYUBEZEP-INIZCTEOSA-N 0 0 393.915 3.600 10 0 GHAERN CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@H]1CCCO1 ZINC000102770087 860581752 /nfs/dbraw/zinc/58/17/52/860581752.db2.gz HUKOGRTZVBXDJE-CTNGQTDRSA-N 0 0 391.515 3.527 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000102897829 860618082 /nfs/dbraw/zinc/61/80/82/860618082.db2.gz GDWRUPUAPATKLC-OAHLLOKOSA-N 0 0 391.265 3.887 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000102695959 860820746 /nfs/dbraw/zinc/82/07/46/860820746.db2.gz RRTPAKXHCVOOPH-KGLIPLIRSA-N 0 0 376.884 3.885 10 0 GHAERN CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ncnc2c3ccccc3oc21 ZINC000329032765 860962818 /nfs/dbraw/zinc/96/28/18/860962818.db2.gz QEXMXHVPUDGNIR-MGPUTAFESA-N 0 0 390.491 3.629 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000329080104 861001972 /nfs/dbraw/zinc/00/19/72/861001972.db2.gz CKOKBOQGIMFHHO-HZPDHXFCSA-N 0 0 377.554 3.790 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000329080100 861001986 /nfs/dbraw/zinc/00/19/86/861001986.db2.gz CKOKBOQGIMFHHO-CVEARBPZSA-N 0 0 377.554 3.790 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000155494060 861015444 /nfs/dbraw/zinc/01/54/44/861015444.db2.gz QUGVNTYFRZCNES-HNAYVOBHSA-N 0 0 381.524 3.656 10 0 GHAERN COCc1ccccc1S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329232706 861178606 /nfs/dbraw/zinc/17/86/06/861178606.db2.gz GFKGCABBZKIOHF-SFHVURJKSA-N 0 0 387.501 3.948 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c2ccccc21 ZINC000182042590 863100223 /nfs/dbraw/zinc/10/02/23/863100223.db2.gz UKQRKXRVYQBRGR-CDHQVMDDSA-N 0 0 378.476 3.515 10 0 GHAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332982012 863406189 /nfs/dbraw/zinc/40/61/89/863406189.db2.gz XIHSDUNIJBCXOP-OALUTQOASA-N 0 0 384.520 3.976 10 0 GHAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3c[nH]c4cccc(C)c34)c12 ZINC000103129017 863926244 /nfs/dbraw/zinc/92/62/44/863926244.db2.gz HYUYLWGVDVKNAK-UHFFFAOYSA-N 0 0 387.487 3.916 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)NC(C)(C)c3ccccc3OC)C2)c1 ZINC000103314030 863955680 /nfs/dbraw/zinc/95/56/80/863955680.db2.gz WFQLTNMYZWFCFB-QGZVFWFLSA-N 0 0 397.519 3.765 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc(COC(C)C)c3)c21 ZINC000103326112 863962796 /nfs/dbraw/zinc/96/27/96/863962796.db2.gz DQWYVCWJBWNYIK-UHFFFAOYSA-N 0 0 393.487 3.699 10 0 GHAERN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103431124 863979784 /nfs/dbraw/zinc/97/97/84/863979784.db2.gz CRHKDPOIDUZLES-RHSMWYFYSA-N 0 0 386.879 3.645 10 0 GHAERN CC[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccccc1 ZINC000103380045 864003275 /nfs/dbraw/zinc/00/32/75/864003275.db2.gz GYMRRULIOUUBEW-QWFCFKBJSA-N 0 0 381.520 3.895 10 0 GHAERN CCOc1cccc2cc([C@@H](C)NC(=O)NC[C@@H](O)Cc3ccccc3)oc21 ZINC000103851780 864062567 /nfs/dbraw/zinc/06/25/67/864062567.db2.gz KWQIWNDRNHPCOV-QAPCUYQASA-N 0 0 382.460 3.795 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N(Cc1ccco1)Cc1ccccc1 ZINC000103734306 864074704 /nfs/dbraw/zinc/07/47/04/864074704.db2.gz OKGXZTCQXBNKOL-UHFFFAOYSA-N 0 0 393.834 3.751 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)c2)cs1 ZINC000103736285 864076248 /nfs/dbraw/zinc/07/62/48/864076248.db2.gz GIJCKWXGDAJJQT-UHFFFAOYSA-N 0 0 396.863 4.000 10 0 GHAERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103737039 864076264 /nfs/dbraw/zinc/07/62/64/864076264.db2.gz NIOLBDYFTPQHMQ-KRWDZBQOSA-N 0 0 388.258 3.850 10 0 GHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103747576 864081103 /nfs/dbraw/zinc/08/11/03/864081103.db2.gz WMNSBBJQZPSNTN-LBPRGKRZSA-N 0 0 381.823 3.895 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000103863975 864101587 /nfs/dbraw/zinc/10/15/87/864101587.db2.gz JHOBXLZVJLWJKJ-UHFFFAOYSA-N 0 0 396.466 3.713 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124435546 864508927 /nfs/dbraw/zinc/50/89/27/864508927.db2.gz KLEPNXLXJVAWKR-UHFFFAOYSA-N 0 0 392.507 3.643 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009987069 865077210 /nfs/dbraw/zinc/07/72/10/865077210.db2.gz OYEHHRKQDDPTKY-LJQANCHMSA-N 0 0 394.496 3.611 10 0 GHAERN Cc1nc(-c2ccc(NCc3cccc(-c4cnn(C)c4)c3)nc2)[nH]c(=O)c1C ZINC000301879140 865583811 /nfs/dbraw/zinc/58/38/11/865583811.db2.gz LHTXSXUVHCRTNZ-UHFFFAOYSA-N 0 0 386.459 3.874 10 0 GHAERN CN(C)C(=O)c1ccc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc1 ZINC000302002227 865662116 /nfs/dbraw/zinc/66/21/16/865662116.db2.gz XFKOYMSCZYHYIO-SFHVURJKSA-N 0 0 375.476 3.558 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000303898913 865809087 /nfs/dbraw/zinc/80/90/87/865809087.db2.gz QGRFISNEMCVUQT-SJORKVTESA-N 0 0 392.569 3.664 10 0 GHAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)n1 ZINC000193778872 881938590 /nfs/dbraw/zinc/93/85/90/881938590.db2.gz AKXNPMKQPFITNO-SECBINFHSA-N 0 0 394.415 3.576 10 0 GHAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114741413 866769894 /nfs/dbraw/zinc/76/98/94/866769894.db2.gz NSEVAOANKNDGHD-LLVKDONJSA-N 0 0 392.424 3.610 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)C2)cn1 ZINC000116424042 866791717 /nfs/dbraw/zinc/79/17/17/866791717.db2.gz KUIDBJOPVUDTCD-KRWDZBQOSA-N 0 0 384.499 3.960 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1I ZINC000170632894 882043728 /nfs/dbraw/zinc/04/37/28/882043728.db2.gz YULFFHZWMGEZNL-UHFFFAOYSA-N 0 0 391.168 3.594 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)ccc1OC(F)F ZINC000170675290 882045642 /nfs/dbraw/zinc/04/56/42/882045642.db2.gz ONQZTZGQHFUMLY-PMGBHYCQSA-N 0 0 391.418 3.829 10 0 GHAERN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000245604053 867657650 /nfs/dbraw/zinc/65/76/50/867657650.db2.gz QDQMCCRFJIEBHZ-BNCFHRQZSA-N 0 0 379.859 3.821 10 0 GHAERN CN1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643021 867745234 /nfs/dbraw/zinc/74/52/34/867745234.db2.gz BNJBVAWSMZRBBJ-AYOQOUSVSA-N 0 0 393.478 3.501 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171642818 882120278 /nfs/dbraw/zinc/12/02/78/882120278.db2.gz PZJHEQNNBKRXOX-HNNXBMFYSA-N 0 0 399.545 3.531 10 0 GHAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172423224 882274855 /nfs/dbraw/zinc/27/48/55/882274855.db2.gz RRNCTTDLEBKEKZ-AWEZNQCLSA-N 0 0 398.898 3.860 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172465617 882278921 /nfs/dbraw/zinc/27/89/21/882278921.db2.gz ZCTVZFRRIUHSEM-RTWAWAEBSA-N 0 0 390.487 3.835 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000172638405 882281618 /nfs/dbraw/zinc/28/16/18/882281618.db2.gz VHVJBZPNKAUJOY-GOSISDBHSA-N 0 0 385.483 3.578 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC(COc2ccccc2)CC1 ZINC000172639164 882281630 /nfs/dbraw/zinc/28/16/30/882281630.db2.gz QNRUBBNTJABETQ-OAQYLSRUSA-N 0 0 382.504 3.653 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@@H](CCO)c3ccccc3)C2)n1 ZINC000172639705 882282641 /nfs/dbraw/zinc/28/26/41/882282641.db2.gz FMGJKDGSLXLIIL-QZTJIDSGSA-N 0 0 387.549 3.761 10 0 GHAERN CN(C)c1cccc([C@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000172639518 882282708 /nfs/dbraw/zinc/28/27/08/882282708.db2.gz HVFXRPQUBRWNNG-IFMALSPDSA-N 0 0 381.520 3.765 10 0 GHAERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535454 882293709 /nfs/dbraw/zinc/29/37/09/882293709.db2.gz NRHOLWQUGPQLFG-LBPRGKRZSA-N 0 0 384.823 3.548 10 0 GHAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172496045 882289708 /nfs/dbraw/zinc/28/97/08/882289708.db2.gz VVCRJZFBJCJJRX-MOPGFXCFSA-N 0 0 381.476 3.759 10 0 GHAERN Cc1cccc([C@@H](C)CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000172612161 882299383 /nfs/dbraw/zinc/29/93/83/882299383.db2.gz VZBRGGLGUCMWIM-IBGZPJMESA-N 0 0 385.552 3.923 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172706049 882300702 /nfs/dbraw/zinc/30/07/02/882300702.db2.gz DLDGHRPWPUVDAS-QZTJIDSGSA-N 0 0 399.491 3.569 10 0 GHAERN O=C(N[C@@H]1CCSc2c(F)cccc21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172707391 882300796 /nfs/dbraw/zinc/30/07/96/882300796.db2.gz DXUAUBSROAVQLV-MSOLQXFVSA-N 0 0 399.491 3.569 10 0 GHAERN Cc1cccc([C@@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000172805546 882309250 /nfs/dbraw/zinc/30/92/50/882309250.db2.gz UOXSYLLOGXIRPO-KRWDZBQOSA-N 0 0 382.479 3.906 10 0 GHAERN CCN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172754940 882305403 /nfs/dbraw/zinc/30/54/03/882305403.db2.gz RYQJUGFNSCJPFI-UHFFFAOYSA-N 0 0 385.895 3.636 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(C)c(NC(C)=O)c2)cc1 ZINC000172878318 882316376 /nfs/dbraw/zinc/31/63/76/882316376.db2.gz JFTNMYZQNCQDIZ-NRFANRHFSA-N 0 0 381.476 3.738 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000172884388 882317779 /nfs/dbraw/zinc/31/77/79/882317779.db2.gz FYDZCBGPFHTALT-NRFANRHFSA-N 0 0 395.503 3.609 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172986159 882328245 /nfs/dbraw/zinc/32/82/45/882328245.db2.gz QGADNNVXVRIAAY-MSOLQXFVSA-N 0 0 396.874 3.985 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccccc1Cl)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172986169 882328432 /nfs/dbraw/zinc/32/84/32/882328432.db2.gz QGADNNVXVRIAAY-QZTJIDSGSA-N 0 0 396.874 3.985 10 0 GHAERN O=C(Nc1ccn(Cc2ccncc2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000173302198 882353417 /nfs/dbraw/zinc/35/34/17/882353417.db2.gz UNDSRIVIZNLRLR-UHFFFAOYSA-N 0 0 394.454 3.574 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)C2)cc1 ZINC000173730327 882370211 /nfs/dbraw/zinc/37/02/11/882370211.db2.gz CJGPWXRLACGHFU-YZVOILCLSA-N 0 0 384.524 3.564 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nc(C(C)(C)C)no1 ZINC000173543382 882378405 /nfs/dbraw/zinc/37/84/05/882378405.db2.gz IWEZVGGTJYWZTM-CYBMUJFWSA-N 0 0 389.475 3.853 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000043398237 870290679 /nfs/dbraw/zinc/29/06/79/870290679.db2.gz ZNSVDKCYAZXPQG-MRXNPFEDSA-N 0 0 387.867 3.822 10 0 GHAERN CC(C)n1ccc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000173948250 882398075 /nfs/dbraw/zinc/39/80/75/882398075.db2.gz SFOCKBHTIDERRM-UHFFFAOYSA-N 0 0 379.869 3.887 10 0 GHAERN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000193592837 870486536 /nfs/dbraw/zinc/48/65/36/870486536.db2.gz CMALKBKCTFIWEK-SJORKVTESA-N 0 0 390.480 3.953 10 0 GHAERN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000051994626 870559044 /nfs/dbraw/zinc/55/90/44/870559044.db2.gz RGKZRVHPRMVIGS-DLBZAZTESA-N 0 0 380.448 3.843 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000057634423 870586382 /nfs/dbraw/zinc/58/63/82/870586382.db2.gz OAJUQNHRXVMWGG-LJQANCHMSA-N 0 0 379.460 3.571 10 0 GHAERN Cc1nc(-c2ncccn2)sc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174080254 882422651 /nfs/dbraw/zinc/42/26/51/882422651.db2.gz CZOSACAQLRBSRQ-UHFFFAOYSA-N 0 0 397.479 3.764 10 0 GHAERN Cc1noc(-c2ccccc2C(=O)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000174089319 882425696 /nfs/dbraw/zinc/42/56/96/882425696.db2.gz WPPYRLAMSFCHQX-UHFFFAOYSA-N 0 0 380.423 3.901 10 0 GHAERN O=C(Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114814301 870649497 /nfs/dbraw/zinc/64/94/97/870649497.db2.gz MHJUUALSOJQEIY-CQSZACIVSA-N 0 0 390.484 3.530 10 0 GHAERN Cc1cc(=O)oc2cc(OC(=O)c3ccc(C(=O)N(C)C)cc3)c(Cl)cc12 ZINC000102967419 870866021 /nfs/dbraw/zinc/86/60/21/870866021.db2.gz YCBUPJNHZWRRLQ-UHFFFAOYSA-N 0 0 385.803 3.676 10 0 GHAERN CCS[C@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000174364468 882456731 /nfs/dbraw/zinc/45/67/31/882456731.db2.gz HBYMTCJSDJKSRS-HOTGVXAUSA-N 0 0 380.579 3.733 10 0 GHAERN CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000174365223 882458397 /nfs/dbraw/zinc/45/83/97/882458397.db2.gz JDENNJFGBNBFGB-QZTJIDSGSA-N 0 0 385.468 3.781 10 0 GHAERN C[C@@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000174552942 882480341 /nfs/dbraw/zinc/48/03/41/882480341.db2.gz PINTWHBNBKHKKW-QFWMXSHPSA-N 0 0 393.336 3.709 10 0 GHAERN O=S(=O)(/C=C/c1ccc(Br)cc1)Nc1cnc(C2CC2)nc1 ZINC000103059820 871161506 /nfs/dbraw/zinc/16/15/06/871161506.db2.gz DJLPWUFNLUOZHL-BQYQJAHWSA-N 0 0 380.267 3.529 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)CC2)nc1 ZINC000174587476 882484020 /nfs/dbraw/zinc/48/40/20/882484020.db2.gz PKMWNVWYUVCOBI-RBBKRZOGSA-N 0 0 394.519 3.578 10 0 GHAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@H](c3cccs3)C(C)(C)C)c2)o1 ZINC000174672270 882492350 /nfs/dbraw/zinc/49/23/50/882492350.db2.gz WBQKRLGVIOPXRW-MRXNPFEDSA-N 0 0 398.488 3.949 10 0 GHAERN CC(C)(NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1ccc(F)cc1 ZINC000103130419 871354397 /nfs/dbraw/zinc/35/43/97/871354397.db2.gz TYEIICLEYMWEPI-HNNXBMFYSA-N 0 0 376.378 3.508 10 0 GHAERN Cc1csc(-c2cccc(OS(=O)(=O)c3c(C)nn(C)c3Cl)c2)n1 ZINC000103160719 871414096 /nfs/dbraw/zinc/41/40/96/871414096.db2.gz RYHQBVQKHLTYSO-UHFFFAOYSA-N 0 0 383.882 3.582 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1N1CCOC1=O ZINC000174957948 882509410 /nfs/dbraw/zinc/50/94/10/882509410.db2.gz KGLIDVLDZLOMGU-GOSISDBHSA-N 0 0 380.448 3.670 10 0 GHAERN Cc1c(C(=O)N[C@H](c2ccco2)c2ccccc2)cccc1N1CCNC1=O ZINC000175034197 882517321 /nfs/dbraw/zinc/51/73/21/882517321.db2.gz SJSRXZDZEKUMFN-FQEVSTJZSA-N 0 0 375.428 3.637 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(N4CCOCC4)c(F)c3)c21 ZINC000103238117 871511428 /nfs/dbraw/zinc/51/14/28/871511428.db2.gz LGVJGWDOSDSNIO-UHFFFAOYSA-N 0 0 396.466 3.816 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc21 ZINC000174860643 882532648 /nfs/dbraw/zinc/53/26/48/882532648.db2.gz WLODPZCQZCPODL-OAHLLOKOSA-N 0 0 399.520 3.647 10 0 GHAERN Cc1ccccc1[C@@H](NC(=O)NCc1cccnc1-n1cncn1)C(C)(C)C ZINC000175367618 882547371 /nfs/dbraw/zinc/54/73/71/882547371.db2.gz ZWWVWQWJARIQFS-GOSISDBHSA-N 0 0 378.480 3.557 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000114903502 871902158 /nfs/dbraw/zinc/90/21/58/871902158.db2.gz NJBHMZPUNZBJCF-QGZVFWFLSA-N 0 0 395.507 3.693 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103458139 872015859 /nfs/dbraw/zinc/01/58/59/872015859.db2.gz RJQXZVHFCGVWOO-QGZVFWFLSA-N 0 0 389.569 3.734 10 0 GHAERN COc1c(C)cc(CN(C)Cn2c(=S)nc3nc(C)c(C)c(C)n32)cc1C ZINC000101539151 872076602 /nfs/dbraw/zinc/07/66/02/872076602.db2.gz ABXRVAVWVUBNBZ-UHFFFAOYSA-N 0 0 385.537 3.900 10 0 GHAERN COc1ccc([C@H](C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1F ZINC000101810065 872277651 /nfs/dbraw/zinc/27/76/51/872277651.db2.gz MJQJAPXPGBARNO-AWEZNQCLSA-N 0 0 380.460 3.516 10 0 GHAERN Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000150795674 872322983 /nfs/dbraw/zinc/32/29/83/872322983.db2.gz KFYKZCODCWZGEX-MRXNPFEDSA-N 0 0 377.554 3.872 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@H]1CCc2cc(F)ccc21 ZINC000101990929 872459945 /nfs/dbraw/zinc/45/99/45/872459945.db2.gz YRLZUGJQZYHVHV-FQEVSTJZSA-N 0 0 381.451 3.829 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCCOc3ccccc3)C2)o1 ZINC000102142710 872638939 /nfs/dbraw/zinc/63/89/39/872638939.db2.gz CRTSZOHJDLXYKP-SFHVURJKSA-N 0 0 385.460 3.843 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCOc4ccccc43)CC2)nc1 ZINC000176172065 882642331 /nfs/dbraw/zinc/64/23/31/882642331.db2.gz MVIJEGYAGQIPFQ-IBGZPJMESA-N 0 0 380.492 3.572 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176012000 882658000 /nfs/dbraw/zinc/65/80/00/882658000.db2.gz CLMPZMNLRUWUJW-CABCVRRESA-N 0 0 397.454 3.527 10 0 GHAERN CCn1c(C)nn(CN2CCN([C@@H](C)c3ccccc3Cl)CC2)c1=S ZINC000102389559 872989941 /nfs/dbraw/zinc/98/99/41/872989941.db2.gz JMQXBTUXNLPWJJ-AWEZNQCLSA-N 0 0 379.961 3.732 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@@H]3c3nccs3)CC2)n1 ZINC000176374432 882684535 /nfs/dbraw/zinc/68/45/35/882684535.db2.gz RVBZZMDGANPRRU-QGZVFWFLSA-N 0 0 385.537 3.752 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3sc(=S)[nH]c3C)C2)c1 ZINC000176384313 882687607 /nfs/dbraw/zinc/68/76/07/882687607.db2.gz VJNBFZCCEXUEPS-LBPRGKRZSA-N 0 0 378.519 3.690 10 0 GHAERN Cc1noc(C2CCN(C(=O)/C=C/c3csc(Br)c3)CC2)n1 ZINC000116000591 873257404 /nfs/dbraw/zinc/25/74/04/873257404.db2.gz OPSIBSZMJVGLKC-NSCUHMNNSA-N 0 0 382.283 3.621 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000116199589 873305833 /nfs/dbraw/zinc/30/58/33/873305833.db2.gz VQVFAVBIHZHUJO-ZIAGYGMSSA-N 0 0 390.455 3.505 10 0 GHAERN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000127712395 873335099 /nfs/dbraw/zinc/33/50/99/873335099.db2.gz JQUUYPAREIOELB-WMLDXEAASA-N 0 0 376.863 3.653 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)c1Br ZINC000176642299 882721506 /nfs/dbraw/zinc/72/15/06/882721506.db2.gz XBGUFDDSEAPCAI-MLGOLLRUSA-N 0 0 378.270 3.556 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)c3ccncc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744512 873526195 /nfs/dbraw/zinc/52/61/95/873526195.db2.gz MVIFLOKMZSKHLN-BETUJISGSA-N 0 0 379.382 3.966 10 0 GHAERN Cc1n[nH]cc1NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102802379 873649417 /nfs/dbraw/zinc/64/94/17/873649417.db2.gz VQOQQUAXEHTDHO-QWRGUYRKSA-N 0 0 397.401 3.995 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccccc3Br)CC2)n1 ZINC000116995823 873803591 /nfs/dbraw/zinc/80/35/91/873803591.db2.gz AXABLQRXGRRXQC-UHFFFAOYSA-N 0 0 389.297 3.943 10 0 GHAERN O=C(Nc1ccc(OC2CCC2)c(F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000177202425 882773602 /nfs/dbraw/zinc/77/36/02/882773602.db2.gz SGVSFXHGVOBTEC-UHFFFAOYSA-N 0 0 397.450 3.643 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000117633961 874078773 /nfs/dbraw/zinc/07/87/73/874078773.db2.gz JCGBCNFYWDZLPI-BTYIYWSLSA-N 0 0 387.439 3.515 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177510782 882810025 /nfs/dbraw/zinc/81/00/25/882810025.db2.gz OIGDUXODBLDMTB-JTQLQIEISA-N 0 0 384.288 3.795 10 0 GHAERN O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071029 882862821 /nfs/dbraw/zinc/86/28/21/882862821.db2.gz QADGXVRBPXFQPH-RISCZKNCSA-N 0 0 376.806 3.798 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178313766 882903663 /nfs/dbraw/zinc/90/36/63/882903663.db2.gz LGCLYZFROUVEBN-ICSRJNTNSA-N 0 0 395.890 3.590 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000119424693 875242821 /nfs/dbraw/zinc/24/28/21/875242821.db2.gz ADVUZFGGEUIWBC-KXBFYZLASA-N 0 0 394.450 3.516 10 0 GHAERN O=C(NCCCc1ccccn1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000178418152 882913728 /nfs/dbraw/zinc/91/37/28/882913728.db2.gz GIBCKSFQUJFWSP-LJQANCHMSA-N 0 0 389.503 3.994 10 0 GHAERN CO[C@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000120066192 875434789 /nfs/dbraw/zinc/43/47/89/875434789.db2.gz ISOXNZRNTAENOT-LEWJYISDSA-N 0 0 381.472 3.803 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NCc3cccc(NC(=O)C4CCC4)c3)CCO2)o1 ZINC000179092592 882952453 /nfs/dbraw/zinc/95/24/53/882952453.db2.gz BQKLIJZSGCPUTA-FQEVSTJZSA-N 0 0 397.475 3.610 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCc3ccccc3[C@@H]2C)c2ccccc2F)no1 ZINC000178891126 882962330 /nfs/dbraw/zinc/96/23/30/882962330.db2.gz CHKJVOIBFOWDQH-DJJJIMSYSA-N 0 0 380.423 3.935 10 0 GHAERN Cc1cc(C(=O)N2CCC(n3cncn3)CC2)c(C)n1[C@H](C)c1ccccc1 ZINC000120396883 875971760 /nfs/dbraw/zinc/97/17/60/875971760.db2.gz ZKSFIKBMDQXNGY-QGZVFWFLSA-N 0 0 377.492 3.783 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1cccc(F)c1F ZINC000179606306 883013794 /nfs/dbraw/zinc/01/37/94/883013794.db2.gz WWFJXGWLPPCVLO-ZIAGYGMSSA-N 0 0 385.418 3.658 10 0 GHAERN COc1cc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)ccc1S(C)(=O)=O ZINC000179811045 883030044 /nfs/dbraw/zinc/03/00/44/883030044.db2.gz NAHCHAQBOWVXEX-CYBMUJFWSA-N 0 0 388.489 3.547 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121320059 876932976 /nfs/dbraw/zinc/93/29/76/876932976.db2.gz LMJOAFBPAZEKHT-YCRPNKLZSA-N 0 0 378.403 3.706 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000180604025 883084635 /nfs/dbraw/zinc/08/46/35/883084635.db2.gz LWMXKBZZGLITPU-UHFFFAOYSA-N 0 0 395.356 3.730 10 0 GHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000180695464 883094565 /nfs/dbraw/zinc/09/45/65/883094565.db2.gz YCCDGDSJIBRPBC-UHFFFAOYSA-N 0 0 381.501 3.537 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCc3nnc(-c4ccsc4)o3)CC2)nc1 ZINC000180851401 883103490 /nfs/dbraw/zinc/10/34/90/883103490.db2.gz JETLOLSCTVCZTM-UHFFFAOYSA-N 0 0 398.488 3.504 10 0 GHAERN Cc1csc(N2CCCN(C(=O)CCc3ccc(OC(F)F)cc3)CC2)n1 ZINC000097681040 883108727 /nfs/dbraw/zinc/10/87/27/883108727.db2.gz AFLMDOUVZWEYQT-UHFFFAOYSA-N 0 0 395.475 3.724 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000121915669 878042684 /nfs/dbraw/zinc/04/26/84/878042684.db2.gz GXOMVDUINNTMRZ-UHFFFAOYSA-N 0 0 384.427 3.522 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000153422153 878287668 /nfs/dbraw/zinc/28/76/68/878287668.db2.gz NMPHAJNWOPVXIS-ABAIWWIYSA-N 0 0 381.373 3.866 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)cc1 ZINC000122114136 878380167 /nfs/dbraw/zinc/38/01/67/878380167.db2.gz OEMNQETUOXIXCM-BBRMVZONSA-N 0 0 382.485 3.758 10 0 GHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122533978 879058054 /nfs/dbraw/zinc/05/80/54/879058054.db2.gz WWYWCSGCAAAPNY-GJZGRUSLSA-N 0 0 380.510 3.537 10 0 GHAERN CN(C(=O)NCc1ccc(C(C)(C)C)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152586003 879332695 /nfs/dbraw/zinc/33/26/95/879332695.db2.gz VTMXZWPDLURITH-IBGZPJMESA-N 0 0 381.524 3.585 10 0 GHAERN O=C(COc1ccccc1OCc1ccccc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181185896 883152513 /nfs/dbraw/zinc/15/25/13/883152513.db2.gz HMIATNHXKXTYFI-SFHVURJKSA-N 0 0 392.459 3.516 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccccc3NC(=O)NC(C)C)CC2)nc1 ZINC000181567773 883163157 /nfs/dbraw/zinc/16/31/57/883163157.db2.gz PVOHMINEHIUBPF-UHFFFAOYSA-N 0 0 396.491 3.604 10 0 GHAERN O=C(Nc1ccccc1)c1nnc(CN2CCC[C@@H](c3nccs3)C2)s1 ZINC000182423061 883220107 /nfs/dbraw/zinc/22/01/07/883220107.db2.gz XMQGPFWZSHYBPY-CYBMUJFWSA-N 0 0 385.518 3.627 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000182553274 883224928 /nfs/dbraw/zinc/22/49/28/883224928.db2.gz LXUQGEZSIVUBAO-NSHDSACASA-N 0 0 378.429 3.872 10 0 GHAERN Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cccc1N(C)C ZINC000182991132 883255656 /nfs/dbraw/zinc/25/56/56/883255656.db2.gz YJZICZVMJIEAFM-UHFFFAOYSA-N 0 0 383.467 3.691 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000183470569 883267620 /nfs/dbraw/zinc/26/76/20/883267620.db2.gz ZQOGSLSOVMZTSC-ROUUACIJSA-N 0 0 392.565 3.700 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1F ZINC000183580610 883289313 /nfs/dbraw/zinc/28/93/13/883289313.db2.gz UFWXCRYNPFYNSK-CYBMUJFWSA-N 0 0 396.422 3.815 10 0 GHAERN COc1ccc(-c2nc(NC(=O)c3cnc4c(c3)ncn4C)sc2C)cc1 ZINC000183585443 883289765 /nfs/dbraw/zinc/28/97/65/883289765.db2.gz ONTLVZBPQSDIKN-UHFFFAOYSA-N 0 0 379.445 3.661 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021224 883299293 /nfs/dbraw/zinc/29/92/93/883299293.db2.gz LUMDMXBVLKEZEA-IFMALSPDSA-N 0 0 397.494 3.940 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(F)c(Cl)c2F)CC1 ZINC000184514288 883351786 /nfs/dbraw/zinc/35/17/86/883351786.db2.gz LDJHYAMNUWWUIH-UHFFFAOYSA-N 0 0 384.835 3.668 10 0 GHAERN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185389232 883445968 /nfs/dbraw/zinc/44/59/68/883445968.db2.gz VBJXGWIXILBYAZ-AUUYWEPGSA-N 0 0 396.487 3.557 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(-n4cccn4)cc3)C2)c1 ZINC000102527078 883515151 /nfs/dbraw/zinc/51/51/51/883515151.db2.gz MAWPTHNITOGAJL-QGZVFWFLSA-N 0 0 391.475 3.529 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C2(c3cccc(F)c3)CCC2)c2ccc(F)cc2C1 ZINC000185502375 883546043 /nfs/dbraw/zinc/54/60/43/883546043.db2.gz NVTWFKXAWCGUCV-NRFANRHFSA-N 0 0 398.453 3.996 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccc(F)cc2C1 ZINC000185508521 883547830 /nfs/dbraw/zinc/54/78/30/883547830.db2.gz CAZCWIBNKVCULQ-SFHVURJKSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(F)cc2C1 ZINC000185519609 883550214 /nfs/dbraw/zinc/55/02/14/883550214.db2.gz LLDZIJAVISFDSS-YYAZDPENSA-N 0 0 384.495 3.952 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000185551536 883554983 /nfs/dbraw/zinc/55/49/83/883554983.db2.gz AAAPLTKATQHOFC-JOCHJYFZSA-N 0 0 382.479 3.985 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCCOc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185549683 883555869 /nfs/dbraw/zinc/55/58/69/883555869.db2.gz JYSIAHLVNGUDBS-JOCHJYFZSA-N 0 0 398.478 3.903 10 0 GHAERN Cc1ccc(-c2cnc(CCC(=O)N3CCCN(c4ccccn4)CC3)o2)cc1 ZINC000186438636 883646015 /nfs/dbraw/zinc/64/60/15/883646015.db2.gz HSRLFFHPUKRPPW-UHFFFAOYSA-N 0 0 390.487 3.717 10 0 GHAERN O=C(N[C@@H]1CCOc2c(Cl)cccc21)N1CCC(Nc2nccs2)CC1 ZINC000186505817 883659838 /nfs/dbraw/zinc/65/98/38/883659838.db2.gz CHLGHTQZHATNKT-OAHLLOKOSA-N 0 0 392.912 3.906 10 0 GHAERN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)co1 ZINC000186560163 883664520 /nfs/dbraw/zinc/66/45/20/883664520.db2.gz FWJZQMOBGZTTDF-ZDUSSCGKSA-N 0 0 391.493 3.781 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000186955347 883738084 /nfs/dbraw/zinc/73/80/84/883738084.db2.gz XLOUEVODGGWHSK-NQIIRXRSSA-N 0 0 387.499 3.634 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1CSc1nc[nH]n1 ZINC000188102107 883825342 /nfs/dbraw/zinc/82/53/42/883825342.db2.gz LDZGRLYCTRBXAJ-KRWDZBQOSA-N 0 0 380.473 3.659 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000188436803 883851006 /nfs/dbraw/zinc/85/10/06/883851006.db2.gz RCCFKRPHRGNEEF-ZTJJKMQJSA-N 0 0 386.398 3.537 10 0 GHAERN COc1ccc(C(=O)CCCCCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000188674075 883870425 /nfs/dbraw/zinc/87/04/25/883870425.db2.gz ROLCPWYLOGQBDL-GOSISDBHSA-N 0 0 384.480 3.700 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccccc1N1CCCCC1 ZINC000188691683 883871274 /nfs/dbraw/zinc/87/12/74/883871274.db2.gz SGGIIXPGCKTPHT-SFHVURJKSA-N 0 0 393.487 3.564 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC=C(c4cccs4)CC3)c2)C[C@@H](C)O1 ZINC000189049821 883900091 /nfs/dbraw/zinc/90/00/91/883900091.db2.gz ZATXSLKBUPMZCO-HZPDHXFCSA-N 0 0 383.517 3.686 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000189067290 883900287 /nfs/dbraw/zinc/90/02/87/883900287.db2.gz JDLOKDFDSLHQOZ-CMPLNLGQSA-N 0 0 377.853 3.848 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000189114233 883920094 /nfs/dbraw/zinc/92/00/94/883920094.db2.gz HEKHLCOQEFOYFN-FUHWJXTLSA-N 0 0 383.473 3.612 10 0 GHAERN Brc1ccccc1N1CC[C@H](N[C@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000189121217 883921207 /nfs/dbraw/zinc/92/12/07/883921207.db2.gz VCWHIYGWWODCDN-YJBOKZPZSA-N 0 0 398.308 3.525 10 0 GHAERN Fc1ccc(Cn2cc(CN[C@@H](c3ncon3)c3ccc(Cl)cc3)cn2)cc1 ZINC000189370419 883942040 /nfs/dbraw/zinc/94/20/40/883942040.db2.gz OBYYIMNVEZKPGG-LJQANCHMSA-N 0 0 397.841 3.986 10 0 GHAERN COC(=O)CCCCCCCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189567667 883962924 /nfs/dbraw/zinc/96/29/24/883962924.db2.gz DVZGDWXJKXPGDU-UHFFFAOYSA-N 0 0 388.508 3.778 10 0 GHAERN O=C(c1cccnc1OCC(F)(F)F)N1CC2(CCOCC2)c2ccccc21 ZINC000189815278 884013047 /nfs/dbraw/zinc/01/30/47/884013047.db2.gz PLYDBHNETIYVJP-UHFFFAOYSA-N 0 0 392.377 3.731 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189856095 884017642 /nfs/dbraw/zinc/01/76/42/884017642.db2.gz WCXMOPUAVAZZCU-LPHOPBHVSA-N 0 0 390.483 3.990 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000102647407 884027113 /nfs/dbraw/zinc/02/71/13/884027113.db2.gz VBLCOAMTARMFMC-UHFFFAOYSA-N 0 0 393.915 3.579 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000190075746 884036006 /nfs/dbraw/zinc/03/60/06/884036006.db2.gz JDLOKDFDSLHQOZ-JQWIXIFHSA-N 0 0 377.853 3.848 10 0 GHAERN CCCCc1ccc(C(=O)CCC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190047260 884044684 /nfs/dbraw/zinc/04/46/84/884044684.db2.gz HBKJHZFBZOKXDG-RTBURBONSA-N 0 0 399.491 3.672 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cccc3ccn(C)c32)c2ccc(F)cc2C1 ZINC000190056204 884046817 /nfs/dbraw/zinc/04/68/17/884046817.db2.gz JKFOKDSSRHHEPY-LJQANCHMSA-N 0 0 394.450 3.932 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@H](c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C1 ZINC000190369397 884072445 /nfs/dbraw/zinc/07/24/45/884072445.db2.gz QVSSXWVDESVHLB-JYJNAYRXSA-N 0 0 378.517 3.533 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375930 884073859 /nfs/dbraw/zinc/07/38/59/884073859.db2.gz TXNKJFZSPDDGRE-NSHGMRRFSA-N 0 0 383.492 3.677 10 0 GHAERN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190402624 884076331 /nfs/dbraw/zinc/07/63/31/884076331.db2.gz YZTNWHFQRNZBAA-UHFFFAOYSA-N 0 0 391.928 3.508 10 0 GHAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCC(Nc2nccs2)CC1 ZINC000190422387 884078741 /nfs/dbraw/zinc/07/87/41/884078741.db2.gz QUDKAPIKPWMOFG-UHFFFAOYSA-N 0 0 386.452 3.583 10 0 GHAERN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190420317 884078832 /nfs/dbraw/zinc/07/88/32/884078832.db2.gz IEKZJLJTMBITBK-UHFFFAOYSA-N 0 0 399.438 3.730 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2CCC(Oc3ccc(F)nc3)CC2)o1 ZINC000190522621 884096023 /nfs/dbraw/zinc/09/60/23/884096023.db2.gz ODHSVRGWUOUJFO-UHFFFAOYSA-N 0 0 382.439 3.546 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000190709056 884114038 /nfs/dbraw/zinc/11/40/38/884114038.db2.gz ZXBNNQBLMLBJMV-UHFFFAOYSA-N 0 0 388.471 3.650 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCc3c(O)cccc32)c2ccc(F)cc2C1 ZINC000191034748 884146844 /nfs/dbraw/zinc/14/68/44/884146844.db2.gz AJPKRHLOFYICBS-SFTDATJTSA-N 0 0 396.462 3.561 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@H](C)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000192287350 884248553 /nfs/dbraw/zinc/24/85/53/884248553.db2.gz HESUDUDNNCXROI-INIZCTEOSA-N 0 0 396.487 3.599 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000192872942 884306926 /nfs/dbraw/zinc/30/69/26/884306926.db2.gz LZSQZNTZPPKBDH-LBPRGKRZSA-N 0 0 399.838 3.523 10 0 GHAERN O=C(Nc1ccc(F)cc1Cl)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192931433 884314392 /nfs/dbraw/zinc/31/43/92/884314392.db2.gz JCZYTMHLAXRZGU-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000193261040 884334326 /nfs/dbraw/zinc/33/43/26/884334326.db2.gz IBNUKWKVBQQALW-MRXNPFEDSA-N 0 0 389.402 3.555 10 0 GHAERN COc1c(C)ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000193266542 884335967 /nfs/dbraw/zinc/33/59/67/884335967.db2.gz ZTOZYCRNAZIQGE-UHFFFAOYSA-N 0 0 384.451 3.942 10 0 GHAERN CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000102784887 884452777 /nfs/dbraw/zinc/45/27/77/884452777.db2.gz VPTJXSRNBPCEDN-AWEZNQCLSA-N 0 0 381.263 3.522 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1 ZINC000102841802 884508480 /nfs/dbraw/zinc/50/84/80/884508480.db2.gz SHZAPNCJAOHAQJ-UHFFFAOYSA-N 0 0 397.500 3.780 10 0 GHAERN CN(C)C(=O)c1cccc(C[S@](=O)Cc2csc(Br)c2)c1 ZINC000105517509 884796748 /nfs/dbraw/zinc/79/67/48/884796748.db2.gz NSHKGGWPXDMVQR-OAQYLSRUSA-N 0 0 386.336 3.661 10 0 GHAERN O=C(NCCN1CCc2sccc2C1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103180687 884821342 /nfs/dbraw/zinc/82/13/42/884821342.db2.gz RMYJGXSQOKWSSX-OAQYLSRUSA-N 0 0 392.528 3.590 10 0 GHAERN O=C(NCCSCCCO)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000105718468 884842244 /nfs/dbraw/zinc/84/22/44/884842244.db2.gz SDEWJKFHWGOZMF-UHFFFAOYSA-N 0 0 391.459 3.543 10 0 GHAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000104359603 885391899 /nfs/dbraw/zinc/39/18/99/885391899.db2.gz YYTYKBVRMSOENW-ZDUSSCGKSA-N 0 0 393.306 3.528 10 0 GHAERN O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(-n2cccc2)c(F)c1 ZINC000104390795 885408096 /nfs/dbraw/zinc/40/80/96/885408096.db2.gz ZBMHTLGYHGPEOW-UHFFFAOYSA-N 0 0 396.447 3.786 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000104459766 885455258 /nfs/dbraw/zinc/45/52/58/885455258.db2.gz ATMHZEUCCWUABM-UHFFFAOYSA-N 0 0 376.456 3.984 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(-c4ccco4)nc3C)cc2)n1 ZINC000101859930 885958323 /nfs/dbraw/zinc/95/83/23/885958323.db2.gz VGZPKSXOQNBRNK-UHFFFAOYSA-N 0 0 386.411 3.961 10 0 GHAERN Cn1c2ccccc2nc1[C@H](NC(=O)NCc1cscn1)c1ccccc1 ZINC000102013109 885964224 /nfs/dbraw/zinc/96/42/24/885964224.db2.gz MSXPUJMAPRPFJS-GOSISDBHSA-N 0 0 377.473 3.619 10 0 GHAERN O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103315665 885989974 /nfs/dbraw/zinc/98/99/74/885989974.db2.gz DKFRFADWPLSHCN-LBPRGKRZSA-N 0 0 379.367 3.863 10 0 GHAERN O=[S@@](Cc1noc(-c2ccsc2)n1)Cc1cc(Cl)cc2c1OCOC2 ZINC000105517256 886016503 /nfs/dbraw/zinc/01/65/03/886016503.db2.gz HWASVGFBIRCTCV-VWLOTQADSA-N 0 0 396.877 3.767 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000106038113 886022541 /nfs/dbraw/zinc/02/25/41/886022541.db2.gz UYLVFMMBHACRLO-UHFFFAOYSA-N 0 0 375.388 3.722 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(Cc2nccn2C)CC1 ZINC000106164979 886026859 /nfs/dbraw/zinc/02/68/59/886026859.db2.gz NZBNMSJPRGRFSL-AWEZNQCLSA-N 0 0 394.441 3.721 10 0 GHAERN Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1Cl ZINC000027962421 886083947 /nfs/dbraw/zinc/08/39/47/886083947.db2.gz RAROEAXJLWCFPJ-LBPRGKRZSA-N 0 0 396.925 3.599 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC(c3nncn3C(C)C)CC2)ccc1OC ZINC000109993817 886166951 /nfs/dbraw/zinc/16/69/51/886166951.db2.gz PEOZUMNTZHIEGG-VQHVLOKHSA-N 0 0 398.507 3.686 10 0 GHAERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000109999307 886167384 /nfs/dbraw/zinc/16/73/84/886167384.db2.gz OWAGDWJURVYNOF-AWEZNQCLSA-N 0 0 386.883 3.694 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000112307531 886257446 /nfs/dbraw/zinc/25/74/46/886257446.db2.gz KJPLSDGPFFPINK-DLBZAZTESA-N 0 0 388.920 3.880 10 0 GHAERN CC(C)(CNC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccccc1 ZINC000112388397 886260996 /nfs/dbraw/zinc/26/09/96/886260996.db2.gz ZBPOPMYYJXMWQD-UHFFFAOYSA-N 0 0 385.533 3.583 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112419784 886262001 /nfs/dbraw/zinc/26/20/01/886262001.db2.gz DYADLEDCGJTNFL-UHFFFAOYSA-N 0 0 391.468 3.666 10 0 GHAERN COCCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114810530 886327695 /nfs/dbraw/zinc/32/76/95/886327695.db2.gz WXBUZCBQTPUIQQ-HNNXBMFYSA-N 0 0 375.494 3.888 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000117636036 886390236 /nfs/dbraw/zinc/39/02/36/886390236.db2.gz CCRXIBYADMGVCT-BTYIYWSLSA-N 0 0 387.439 3.515 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@@H]1CCCn3cc(C)nc31)CCC2 ZINC000332687079 886540046 /nfs/dbraw/zinc/54/00/46/886540046.db2.gz OCQMDHHVLWBDSL-HOCLYGCPSA-N 0 0 387.553 3.807 10 0 GHAERN Cc1cnc(C(C)(C)NC(=O)N[C@H](c2noc(C)n2)c2ccccc2F)s1 ZINC000124449115 886751820 /nfs/dbraw/zinc/75/18/20/886751820.db2.gz UYPURTOPWJMNJF-AWEZNQCLSA-N 0 0 389.456 3.606 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124571240 886766624 /nfs/dbraw/zinc/76/66/24/886766624.db2.gz NFJSCJNSADGXOJ-LJQANCHMSA-N 0 0 397.454 3.666 10 0 GHAERN C[C@@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@H]1COc2ccccc21 ZINC000126290835 886952726 /nfs/dbraw/zinc/95/27/26/886952726.db2.gz NZMXDGCDAGAYAG-CZUORRHYSA-N 0 0 393.468 3.690 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2c(C)noc2-c2ccccc2)c2ccccc2)[nH]1 ZINC000126295007 886952815 /nfs/dbraw/zinc/95/28/15/886952815.db2.gz WGJCWDLWJYHXSF-SFHVURJKSA-N 0 0 388.431 3.988 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc(Cl)c1OC ZINC000126566785 886982352 /nfs/dbraw/zinc/98/23/52/886982352.db2.gz SYNNMVPGIIRCFE-RMLGOWPTSA-N 0 0 389.883 3.677 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)/C=C/c3c(Cl)nc4sccn34)CCO2)o1 ZINC000127277417 887046577 /nfs/dbraw/zinc/04/65/77/887046577.db2.gz AMNNSCHSKNMBEI-KQIUPUNMSA-N 0 0 377.853 3.564 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000127936512 887125235 /nfs/dbraw/zinc/12/52/35/887125235.db2.gz YSGWJZFLIVHREZ-JTSKRJEESA-N 0 0 375.472 3.982 10 0 GHAERN CCN(C(=O)NCc1cccnc1-n1cccn1)[C@@H](C)c1cccc(OC)c1 ZINC000046094345 887141889 /nfs/dbraw/zinc/14/18/89/887141889.db2.gz GYQMRNSDJCQMHG-INIZCTEOSA-N 0 0 379.464 3.569 10 0 GHAERN Cc1nnnn1-c1cc(NC(=O)N[C@@H](c2ccco2)c2ccccc2)ccc1F ZINC000105035461 887307977 /nfs/dbraw/zinc/30/79/77/887307977.db2.gz ZOIAYESDKJSLOP-LJQANCHMSA-N 0 0 392.394 3.614 10 0 GHAERN CCCS(=O)(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(F)cc2)c1C ZINC000105054839 887368792 /nfs/dbraw/zinc/36/87/92/887368792.db2.gz ZXTUFYMKHRRNNG-UHFFFAOYSA-N 0 0 393.484 3.950 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000130559859 887448370 /nfs/dbraw/zinc/44/83/70/887448370.db2.gz HQQSXOFHNDQLAD-PUAOIOHZSA-N 0 0 378.881 3.763 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131785651 887575400 /nfs/dbraw/zinc/57/54/00/887575400.db2.gz CGOVXZOYRFSKQS-KDOFPFPSSA-N 0 0 377.492 3.926 10 0 GHAERN CCc1ccc(CCNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000132528190 887669534 /nfs/dbraw/zinc/66/95/34/887669534.db2.gz SXZGQMGCWXFMOY-UHFFFAOYSA-N 0 0 385.552 3.616 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000132841349 887706193 /nfs/dbraw/zinc/70/61/93/887706193.db2.gz SYPNOPJREXWJIL-VXKWHMMOSA-N 0 0 376.500 3.767 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000133365826 887754976 /nfs/dbraw/zinc/75/49/76/887754976.db2.gz CTBGUWAXPHFECX-LPHOPBHVSA-N 0 0 385.439 3.724 10 0 GHAERN COc1ccc(-c2nc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)cs2)cc1 ZINC000133612404 887784334 /nfs/dbraw/zinc/78/43/34/887784334.db2.gz WQJNVXDTMHOILA-SFHVURJKSA-N 0 0 384.457 3.934 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000134007124 887826022 /nfs/dbraw/zinc/82/60/22/887826022.db2.gz FDRZIFJLZJVRPC-UHFFFAOYSA-N 0 0 398.507 3.862 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1cccs1 ZINC000194028573 888547923 /nfs/dbraw/zinc/54/79/23/888547923.db2.gz XAMDZRZHPJEEML-KRWDZBQOSA-N 0 0 389.496 3.896 10 0 GHAERN FC(F)(F)c1ccc(-n2nnnc2CN2CCC[C@H](c3nccs3)C2)cc1 ZINC000195359045 888657134 /nfs/dbraw/zinc/65/71/34/888657134.db2.gz CUJWPNZFMGVVQC-LBPRGKRZSA-N 0 0 394.426 3.517 10 0 GHAERN CCN1CC[C@H](NC(=O)[C@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584362 888997817 /nfs/dbraw/zinc/99/78/17/888997817.db2.gz ITNAYUCXGAZALR-JCGIZDLHSA-N 0 0 390.890 3.505 10 0 GHAERN CN1CC[C@@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697989 889262829 /nfs/dbraw/zinc/26/28/29/889262829.db2.gz QFDFKOYMYUDLOH-CRAIPNDOSA-N 0 0 392.475 3.543 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C(C)(C)C ZINC000245710838 889341103 /nfs/dbraw/zinc/34/11/03/889341103.db2.gz ZNLWENVOEWHDTD-RLLQIKCJSA-N 0 0 398.551 3.971 10 0 GHAERN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000245741102 889600260 /nfs/dbraw/zinc/60/02/60/889600260.db2.gz BYWJCMVBCCCXNK-KBRIMQKVSA-N 0 0 376.884 3.622 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)cs1 ZINC000245941489 890050461 /nfs/dbraw/zinc/05/04/61/890050461.db2.gz VEGCVAWMWRNLPN-RBUKOAKNSA-N 0 0 389.952 3.943 10 0 GHAERN C[C@H](CC(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1)NC(=O)C1CCCC1 ZINC000246046173 890236718 /nfs/dbraw/zinc/23/67/18/890236718.db2.gz PLRPLHPOVDWUPU-BHIYHBOVSA-N 0 0 390.524 3.559 10 0 GHAERN Cc1csc(C2CCN(C(=O)C[C@@H](C)NC(=O)C3CCCCC3)CC2)n1 ZINC000066659370 891126155 /nfs/dbraw/zinc/12/61/55/891126155.db2.gz YXEFXQQXGOFFFO-CQSZACIVSA-N 0 0 377.554 3.633 10 0 GHAERN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCC[C@H](c2nccs2)C1 ZINC000067048781 891140668 /nfs/dbraw/zinc/14/06/68/891140668.db2.gz CARYBDWMFFXNLV-INIZCTEOSA-N 0 0 399.516 3.593 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1Br ZINC000068355264 891177125 /nfs/dbraw/zinc/17/71/25/891177125.db2.gz SGPOIWJXRGBGAW-SNVBAGLBSA-N 0 0 383.315 3.772 10 0 GHAERN C[C@]1(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CC1(Cl)Cl ZINC000070932008 891222173 /nfs/dbraw/zinc/22/21/73/891222173.db2.gz FKGGOXMVYQHZOJ-GOSISDBHSA-N 0 0 390.270 3.807 10 0 GHAERN c1cc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)n2)co1 ZINC000105572750 891243916 /nfs/dbraw/zinc/24/39/16/891243916.db2.gz PBPYYDOCPJSDMX-ZDUSSCGKSA-N 0 0 384.373 3.517 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246493564 891275489 /nfs/dbraw/zinc/27/54/89/891275489.db2.gz KANYOKBVEVEYID-DFQSSKMNSA-N 0 0 380.492 3.958 10 0 GHAERN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246781009 891305906 /nfs/dbraw/zinc/30/59/06/891305906.db2.gz PGNIIMMDSHRMIO-MISYRCLQSA-N 0 0 397.519 3.700 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000246798203 891306345 /nfs/dbraw/zinc/30/63/45/891306345.db2.gz JPPBHPKYSMTHSC-PDIWNELESA-N 0 0 390.483 3.939 10 0 GHAERN Cc1c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)oc2c1C(=O)CCC2 ZINC000246958280 891326050 /nfs/dbraw/zinc/32/60/50/891326050.db2.gz HRDBKMZYJREAHD-BEFAXECRSA-N 0 0 388.414 3.560 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1F ZINC000247044264 891338279 /nfs/dbraw/zinc/33/82/79/891338279.db2.gz NWTJKJTVJACDPA-NGKZDAFWSA-N 0 0 396.509 3.745 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000247431970 891376326 /nfs/dbraw/zinc/37/63/26/891376326.db2.gz NUMFIHHXUUAXGJ-YRPNKDGESA-N 0 0 392.927 3.753 10 0 GHAERN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC000247440002 891377069 /nfs/dbraw/zinc/37/70/69/891377069.db2.gz NGNSJFVESBTIMY-NRJQMVOHSA-N 0 0 396.560 3.758 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 ZINC000247900614 891399006 /nfs/dbraw/zinc/39/90/06/891399006.db2.gz ASYNXOUHJHAIOZ-UHFFFAOYSA-N 0 0 394.515 3.624 10 0 GHAERN CC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CCC2)(c2ccccc2)CC1 ZINC000247944032 891402055 /nfs/dbraw/zinc/40/20/55/891402055.db2.gz ODTZTWFEKRPVMO-UHFFFAOYSA-N 0 0 390.527 3.805 10 0 GHAERN Cc1cccc(OCCCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000248040386 891407390 /nfs/dbraw/zinc/40/73/90/891407390.db2.gz USEZVRAKYYHRNO-UHFFFAOYSA-N 0 0 386.536 3.795 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000248389800 891422398 /nfs/dbraw/zinc/42/23/98/891422398.db2.gz GYPDLMXEWSCYFO-PNQCTFMGSA-N 0 0 391.487 3.518 10 0 GHAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248633379 891448558 /nfs/dbraw/zinc/44/85/58/891448558.db2.gz SJDPVNPHMAHDOD-SCTDSRPQSA-N 0 0 393.528 3.592 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2sccc2C)c2ccc(F)cc2C1 ZINC000248660589 891454626 /nfs/dbraw/zinc/45/46/26/891454626.db2.gz ZNEVXSTXVUALFN-QYZOEREBSA-N 0 0 386.492 3.909 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C)C[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248753119 891466671 /nfs/dbraw/zinc/46/66/71/891466671.db2.gz UNCZUPIRQVYEKB-SXGZJXTBSA-N 0 0 375.488 3.697 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000248826844 891473118 /nfs/dbraw/zinc/47/31/18/891473118.db2.gz GVRTWJPCTJNKDW-HQQWDMGQSA-N 0 0 398.290 3.852 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2c(F)cc(F)cc2Br)[C@@H]2CCO[C@H]21 ZINC000248926511 891481860 /nfs/dbraw/zinc/48/18/60/891481860.db2.gz YNGJHHIIDCXRHZ-ZEGGKSINSA-N 0 0 375.213 3.662 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249197524 891501601 /nfs/dbraw/zinc/50/16/01/891501601.db2.gz RRRLRLCGXUNJLY-TYCQWZJGSA-N 0 0 379.483 3.533 10 0 GHAERN CN(C(=O)NCC1(c2ccccc2)CCCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152042368 891933037 /nfs/dbraw/zinc/93/30/37/891933037.db2.gz LNTVIXFAQQUPOL-HXUWFJFHSA-N 0 0 393.535 3.599 10 0 GHAERN Cc1ccc(CC(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000101829817 897972022 /nfs/dbraw/zinc/97/20/22/897972022.db2.gz ZUNYDFRGZLOCGB-HNNXBMFYSA-N 0 0 385.533 3.733 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000102029151 897989383 /nfs/dbraw/zinc/98/93/83/897989383.db2.gz GVOMJDFOGNREEX-AWEZNQCLSA-N 0 0 396.919 3.524 10 0 GHAERN Cc1ccc(C(=O)Nc2cccc(CNC(=O)N(C)C[C@H]3CCCO3)c2)cc1 ZINC000102904349 898047526 /nfs/dbraw/zinc/04/75/26/898047526.db2.gz ZOSSGLADRCFNMI-HXUWFJFHSA-N 0 0 381.476 3.568 10 0 GHAERN C[C@@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)c1ccc(-n2cncn2)cc1 ZINC000104807480 898167014 /nfs/dbraw/zinc/16/70/14/898167014.db2.gz CPXBRCFCKMIQKZ-CQSZACIVSA-N 0 0 398.536 3.624 10 0 GHAERN Cn1nccc1CNC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000105142026 898196827 /nfs/dbraw/zinc/19/68/27/898196827.db2.gz JWCKUAPYVDIJES-MRXNPFEDSA-N 0 0 385.468 3.560 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCSc3ccc(F)cc31)C2 ZINC000112741410 898924722 /nfs/dbraw/zinc/92/47/22/898924722.db2.gz UCSSEUVVHIKNAQ-HNNXBMFYSA-N 0 0 388.512 3.987 10 0 GHAERN O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333176927 900013978 /nfs/dbraw/zinc/01/39/78/900013978.db2.gz OWNOAOBCCQPESK-SKDZVZGDSA-N 0 0 381.925 3.753 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000333196371 900027893 /nfs/dbraw/zinc/02/78/93/900027893.db2.gz UEIXNZZWGMUAQD-ALQDCCJHSA-N 0 0 389.496 3.871 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC000333324499 902008490 /nfs/dbraw/zinc/00/84/90/902008490.db2.gz QJQCMVSOZHZGDT-VQTJNVASSA-N 0 0 389.561 3.873 10 0 GHAERN O=C(NCc1ccncn1)N1c2ccc(Br)cc2[C@@H]2CCCC[C@@H]21 ZINC000333825225 902351261 /nfs/dbraw/zinc/35/12/61/902351261.db2.gz JWODRMKFIBCGHU-HOCLYGCPSA-N 0 0 387.281 3.995 10 0 GHAERN Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)cc12 ZINC000334006204 902496272 /nfs/dbraw/zinc/49/62/72/902496272.db2.gz UFJJRXFVQQCAPT-ZOBUZTSGSA-N 0 0 381.501 3.628 10 0 GHAERN C[C@@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccc(Br)cc1 ZINC000181384734 906988121 /nfs/dbraw/zinc/98/81/21/906988121.db2.gz BDGATQDRXZHYRQ-WFASDCNBSA-N 0 0 377.286 3.815 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000189076151 908279224 /nfs/dbraw/zinc/27/92/24/908279224.db2.gz QGNGRLQSSNYYSR-FUHWJXTLSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 ZINC000189091134 908282319 /nfs/dbraw/zinc/28/23/19/908282319.db2.gz JXJWAEBAFDXRPG-IRSGEFJISA-N 0 0 395.381 3.789 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(SC)c(Cl)c2)C1 ZINC000189442683 908323478 /nfs/dbraw/zinc/32/34/78/908323478.db2.gz DEWKBCKKLSWPGH-WCQYABFASA-N 0 0 382.873 3.747 10 0 GHAERN COc1cc(NC(=O)CN2CCC[C@H]2c2csc(C)n2)c(OC)cc1Cl ZINC000189751751 908372298 /nfs/dbraw/zinc/37/22/98/908372298.db2.gz TXRYUZNVQQMWHJ-HNNXBMFYSA-N 0 0 395.912 3.898 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000190066440 908417265 /nfs/dbraw/zinc/41/72/65/908417265.db2.gz YVLXCWWOUNXTBG-WOJBJXKFSA-N 0 0 393.443 3.559 10 0 GHAERN COc1ccc(CCC(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000103815920 911180104 /nfs/dbraw/zinc/18/01/04/911180104.db2.gz YPCSHPBFIFHKOV-LJQANCHMSA-N 0 0 398.503 3.595 10 0 GHAERN O=C(O[C@@H](c1ccccc1)c1cccnc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103838022 911630054 /nfs/dbraw/zinc/63/00/54/911630054.db2.gz FLWQFDXZQNWWBL-IBGZPJMESA-N 0 0 391.818 3.657 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000373950685 926585655 /nfs/dbraw/zinc/58/56/55/926585655.db2.gz VSGDBLSBCPWXSQ-VXXWIDOKSA-N 0 0 376.460 3.865 10 0 GHAERN O=C(Nc1nc2ccccn2n1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000184403749 1014572677 /nfs/dbraw/zinc/57/26/77/1014572677.db2.gz XILCMHXRLSRSNK-MRXNPFEDSA-N 0 0 387.447 3.531 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCCc2csc(C)n2)c2ccc(F)cc2C1 ZINC000185529562 1014585589 /nfs/dbraw/zinc/58/55/89/1014585589.db2.gz WXXUBNQZQHJOON-LJQANCHMSA-N 0 0 389.496 3.523 10 0 GHAERN COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000001330536 203900470 /nfs/dbraw/zinc/90/04/70/203900470.db2.gz MTIARPWPGNRZPY-GOSISDBHSA-N 0 0 387.867 3.661 10 0 GHAERN O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1ccco1 ZINC000004400524 204043380 /nfs/dbraw/zinc/04/33/80/204043380.db2.gz YLHPNUNGAPWAMU-UHFFFAOYSA-N 0 0 388.449 3.598 10 0 GHAERN COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)cc1 ZINC000004164911 204029740 /nfs/dbraw/zinc/02/97/40/204029740.db2.gz BECNONUWUCDWPU-HUUCEWRRSA-N 0 0 382.386 3.690 10 0 GHAERN CCC(=O)Nc1ccc(N(C)C)c(CN(CCOC)C(=O)CC(C)(C)C)c1 ZINC000006696372 204191745 /nfs/dbraw/zinc/19/17/45/204191745.db2.gz SMGAXHSDEHPOSW-UHFFFAOYSA-N 0 0 377.529 3.512 10 0 GHAERN Cc1nc(C)c(Cc2ccccc2F)c(N2CCN(C(=O)C3CCCC3)CC2)n1 ZINC000006740571 204197997 /nfs/dbraw/zinc/19/79/97/204197997.db2.gz LFEVRJKVITYUSR-UHFFFAOYSA-N 0 0 396.510 3.662 10 0 GHAERN COc1cc(OC)c(-c2cc(-c3ccccc3)nc3ncnc(N)c32)cc1OC ZINC000009694645 204321375 /nfs/dbraw/zinc/32/13/75/204321375.db2.gz BKFOGIGZDOYNEY-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN O=C1CCCCN1c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1 ZINC000012199087 204381115 /nfs/dbraw/zinc/38/11/15/204381115.db2.gz HJIFGXZQOPXRKY-UHFFFAOYSA-N 0 0 399.516 3.605 10 0 GHAERN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)c2cccc(Cl)c2)CC1=O ZINC000016018103 204587662 /nfs/dbraw/zinc/58/76/62/204587662.db2.gz DUSHJLDLNSLJJZ-GDBMZVCRSA-N 0 0 386.879 3.887 10 0 GHAERN CCOc1ccc(-c2nc3ccccc3c(N(CCOC)CCOC)n2)cc1 ZINC000023317384 204802331 /nfs/dbraw/zinc/80/23/31/204802331.db2.gz KWDKPZMXIFJNOF-UHFFFAOYSA-N 0 0 381.476 3.795 10 0 GHAERN O=C(/C=C/c1cccs1)NCC1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000033306962 204957666 /nfs/dbraw/zinc/95/76/66/204957666.db2.gz YLYHGCVFEXWGQG-YMBWGVAGSA-N 0 0 386.542 3.891 10 0 GHAERN COc1cccc(C(=O)N2C[C@H](C(=O)N3CCCCC3)[C@@H](c3ccccc3)C2)c1 ZINC000036041396 205003062 /nfs/dbraw/zinc/00/30/62/205003062.db2.gz JOZUJJGUXHCFEK-YADHBBJMSA-N 0 0 392.499 3.564 10 0 GHAERN COc1ccc([C@H]2CN(C(=O)CC(C)C)C[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041536 205003154 /nfs/dbraw/zinc/00/31/54/205003154.db2.gz XSWSNRJEQRKDQV-YADHBBJMSA-N 0 0 394.515 3.600 10 0 GHAERN Cc1cc(NC(=O)c2ccccc2)c2ccn(S(=O)(=O)c3ccccc3)c2n1 ZINC000039105877 205040365 /nfs/dbraw/zinc/04/03/65/205040365.db2.gz BLWCDQIVXIXHSA-UHFFFAOYSA-N 0 0 391.452 3.834 10 0 GHAERN CCCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000039952274 205044045 /nfs/dbraw/zinc/04/40/45/205044045.db2.gz VWHWBCJJYKHESJ-SFHVURJKSA-N 0 0 376.497 3.996 10 0 GHAERN CC[C@@H](c1nc2ccccc2c(=O)n1CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000044928633 205091778 /nfs/dbraw/zinc/09/17/78/205091778.db2.gz BAVMRFBONRPKFT-IBGZPJMESA-N 0 0 389.455 3.800 10 0 GHAERN Nc1c(Nc2ccc(I)cc2)ncnc1NC1CCCC1 ZINC000040782412 205073100 /nfs/dbraw/zinc/07/31/00/205073100.db2.gz QZZJVINNGRCBJJ-UHFFFAOYSA-N 0 0 395.248 3.762 10 0 GHAERN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000057521874 205158926 /nfs/dbraw/zinc/15/89/26/205158926.db2.gz GCASFXVUSJPMMW-UHFFFAOYSA-N 0 0 384.505 3.709 10 0 GHAERN Cc1oc(-c2cccs2)nc1CN1CCN(Cc2cccc(C)c2)C(=O)C1 ZINC000055211126 205145497 /nfs/dbraw/zinc/14/54/97/205145497.db2.gz XLEFUVHJDIIWFN-UHFFFAOYSA-N 0 0 381.501 3.864 10 0 GHAERN CCOc1ccc(-c2ccnc3c(C(=O)NCCc4cccs4)cnn32)cc1 ZINC000065026715 205207713 /nfs/dbraw/zinc/20/77/13/205207713.db2.gz PMKFHFXGXGTGPN-UHFFFAOYSA-N 0 0 392.484 3.829 10 0 GHAERN O=C(NCc1csc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1)C1CCC1 ZINC000065173292 205215711 /nfs/dbraw/zinc/21/57/11/205215711.db2.gz KKEYJSQLFRUPRQ-KRWDZBQOSA-N 0 0 389.565 3.846 10 0 GHAERN O=C(OCc1ccccc1)N1CCC[C@H](c2nnc(Br)s2)C1 ZINC000066054650 205239623 /nfs/dbraw/zinc/23/96/23/205239623.db2.gz LVBUADBLVOECRC-LBPRGKRZSA-N 0 0 382.283 3.817 10 0 GHAERN Cc1ccc(S(=O)(=O)N(C)[C@]2(c3cccc4c3NCC4)CCCCC2=O)cc1 ZINC000089210449 205404000 /nfs/dbraw/zinc/40/40/00/205404000.db2.gz YKPVKSNVDAMLDJ-QFIPXVFZSA-N 0 0 398.528 3.622 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@](=O)Cc1cnc(Cl)s1 ZINC000095086870 205438557 /nfs/dbraw/zinc/43/85/57/205438557.db2.gz TUYDEJQYKNTPRS-QVQLBTGDSA-N 0 0 378.947 3.835 10 0 GHAERN CC[C@@H](C)NC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000169793858 205847435 /nfs/dbraw/zinc/84/74/35/205847435.db2.gz IVVOPKRDLNHKQE-AHRSYUTCSA-N 0 0 382.479 3.986 10 0 GHAERN O=C(NC1CCCC1)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227922 136160513 /nfs/dbraw/zinc/16/05/13/136160513.db2.gz WZHALTJMBXTNHN-MRXNPFEDSA-N 0 0 395.507 3.674 10 0 GHAERN CC[C@@H](C)NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227883 136160520 /nfs/dbraw/zinc/16/05/20/136160520.db2.gz XNUCWVACGYIADM-ZBFHGGJFSA-N 0 0 383.496 3.530 10 0 GHAERN COc1ccc(-c2cc(=O)[nH]c(NCc3ccc(Br)cc3)n2)cc1 ZINC000057341466 523089311 /nfs/dbraw/zinc/08/93/11/523089311.db2.gz HCDZZWBMHYSCPF-UHFFFAOYSA-N 0 0 386.249 3.820 10 0 GHAERN COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC ZINC000006716390 560206393 /nfs/dbraw/zinc/20/63/93/560206393.db2.gz HOOQLZPFGONGJY-UHFFFAOYSA-N 0 0 391.431 3.869 10 0 in-vitro GHAERN O=C(Nc1ccc2c(c1)OCO2)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000015731284 570223442 /nfs/dbraw/zinc/22/34/42/570223442.db2.gz RPZVRMFCKBNHLM-UHFFFAOYSA-N 0 0 390.374 3.783 10 0 GHAERN COC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(C)cc1 ZINC000006477665 570325111 /nfs/dbraw/zinc/32/51/11/570325111.db2.gz ZDFARUXESNWSTK-MRXNPFEDSA-N 0 0 388.514 3.640 10 0 GHAERN COc1cc2c(cc1OC)[C@H](CNC(=O)C(C)C)N(Cc1cccc(C)c1)CC2 ZINC000034857490 570341950 /nfs/dbraw/zinc/34/19/50/570341950.db2.gz SVYUGAUWXWAJIH-NRFANRHFSA-N 0 0 396.531 3.884 10 0 GHAERN COc1ccc2c(c1OC)CCCC(Br)(Br)C2=O ZINC000048552804 570659683 /nfs/dbraw/zinc/65/96/83/570659683.db2.gz SPHCUTVRGVCHRW-UHFFFAOYSA-N 0 0 378.060 3.709 10 0 GHAERN O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1[nH]nc2ccccc21 ZINC000012434046 570661223 /nfs/dbraw/zinc/66/12/23/570661223.db2.gz UATLNKOXURAFPQ-MRXNPFEDSA-N 0 0 393.397 3.834 10 0 GHAERN Cc1occc1C(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000015062565 570723267 /nfs/dbraw/zinc/72/32/67/570723267.db2.gz SWJMCSRAVPIWCT-QHCPKHFHSA-N 0 0 380.488 3.676 10 0 GHAERN Cc1ccccc1C(=O)N1CCN(c2nc(CN3CCC(C)CC3)cs2)CC1 ZINC000065200301 570727136 /nfs/dbraw/zinc/72/71/36/570727136.db2.gz YAUZSOGPQMKYAA-UHFFFAOYSA-N 0 0 398.576 3.646 10 0 GHAERN Cc1nn(C)c(C)c1-c1ccnc(NCCc2nccc(-c3ccccc3)n2)n1 ZINC000048435920 570903647 /nfs/dbraw/zinc/90/36/47/570903647.db2.gz CGPOORCTFNMQNO-UHFFFAOYSA-N 0 0 385.475 3.606 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc1Cl ZINC000103075178 837565085 /nfs/dbraw/zinc/56/50/85/837565085.db2.gz MYLCYWZFMYZTDD-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)nc2ccccc12 ZINC000176413308 837577617 /nfs/dbraw/zinc/57/76/17/837577617.db2.gz FONNGKPAVHADCG-LJQANCHMSA-N 0 0 375.476 3.838 10 0 GHAERN O=C(CN1CCO[C@@H]2CCCC[C@H]21)N1c2ccccc2NC(=O)C12CCCC2 ZINC000329143200 834444629 /nfs/dbraw/zinc/44/46/29/834444629.db2.gz LWGYCNKNSFDSJM-RTBURBONSA-N 0 0 383.492 3.577 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C3(c4cccc(C)c4)CCCC3)C2)n1 ZINC000116773030 834450586 /nfs/dbraw/zinc/45/05/86/834450586.db2.gz ZTADDBFGXYBXRJ-HXUWFJFHSA-N 0 0 380.536 3.954 10 0 GHAERN Cc1nc(CN2CCN(C(=O)c3cccnc3)CC2)oc1-c1ccc(Cl)cc1 ZINC000156785010 834554229 /nfs/dbraw/zinc/55/42/29/834554229.db2.gz SFXDRQMURMONCN-UHFFFAOYSA-N 0 0 396.878 3.656 10 0 GHAERN O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)NCCc1nnc2n1CCCC2 ZINC000156894180 834624048 /nfs/dbraw/zinc/62/40/48/834624048.db2.gz OJWVLKAZGSWGBQ-FNORWQNLSA-N 0 0 398.816 3.659 10 0 GHAERN COc1ccc(SCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000157829383 835114238 /nfs/dbraw/zinc/11/42/38/835114238.db2.gz KLMQMTDBIWSCMN-UHFFFAOYSA-N 0 0 385.533 3.666 10 0 GHAERN Cc1cccc([C@H]2CCCCCN2C(=O)c2nn(C)c3ccccc3c2=O)c1 ZINC000329495676 835135790 /nfs/dbraw/zinc/13/57/90/835135790.db2.gz DNVXGKKFXGKWOH-LJQANCHMSA-N 0 0 375.472 3.999 10 0 GHAERN Brc1ccc2oc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cc2c1 ZINC000329592595 835315203 /nfs/dbraw/zinc/31/52/03/835315203.db2.gz BZUMTRFTOSKKFU-DOMZBBRYSA-N 0 0 390.237 3.781 10 0 GHAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000329656546 835540771 /nfs/dbraw/zinc/54/07/71/835540771.db2.gz MOVIAQUHVSGUFW-WBVHZDCISA-N 0 0 377.554 3.620 10 0 GHAERN CCC(CC)c1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)on1 ZINC000158967740 835664975 /nfs/dbraw/zinc/66/49/75/835664975.db2.gz RFRRQTRMOOSZJR-UHFFFAOYSA-N 0 0 375.513 3.833 10 0 GHAERN Cc1ccc(Cn2ccccc2=NC(=O)c2nc(Br)cs2)cc1 ZINC000588587963 835675103 /nfs/dbraw/zinc/67/51/03/835675103.db2.gz MOZFXCISZNUCRC-UHFFFAOYSA-N 0 0 388.290 3.805 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 ZINC000158987015 835679402 /nfs/dbraw/zinc/67/94/02/835679402.db2.gz LXRKRQRBJIWZCC-UHFFFAOYSA-N 0 0 395.276 3.808 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC(n2ccnc2)CC1 ZINC000101864528 835684911 /nfs/dbraw/zinc/68/49/11/835684911.db2.gz YPCBCEFQNQMHJY-BQYQJAHWSA-N 0 0 395.894 3.908 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)cc2NC1=O ZINC000329695371 835723662 /nfs/dbraw/zinc/72/36/62/835723662.db2.gz BKSXYKPKAJRZBW-ZDUSSCGKSA-N 0 0 383.473 3.847 10 0 GHAERN CN1CC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)[C@H]1c1ccc(Cl)cc1 ZINC000246003903 835868090 /nfs/dbraw/zinc/86/80/90/835868090.db2.gz SCYVVAMSPQWOCZ-IPMKNSEASA-N 0 0 387.915 3.745 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000246024310 835892772 /nfs/dbraw/zinc/89/27/72/835892772.db2.gz VIZRMWDFXSZLGE-RBSFLKMASA-N 0 0 399.461 3.972 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000136341863 835944489 /nfs/dbraw/zinc/94/44/89/835944489.db2.gz PROYNAAOVHCSBK-OIBJUYFYSA-N 0 0 378.064 3.511 10 0 GHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)c2csc3c2CC[C@H](C)C3)o1 ZINC000275226478 836423199 /nfs/dbraw/zinc/42/31/99/836423199.db2.gz AFEOERDVIQRPQV-SWLSCSKDSA-N 0 0 375.494 3.593 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(OC4CCCCC4)cc3)CC2)n1 ZINC000117798771 836441977 /nfs/dbraw/zinc/44/19/77/836441977.db2.gz XEMOGVCSASEWJE-MRXNPFEDSA-N 0 0 398.507 3.609 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000332774021 836586753 /nfs/dbraw/zinc/58/67/53/836586753.db2.gz ZJSMGTPRDXCOHI-VYPVPOJWSA-N 0 0 389.446 3.882 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000179429360 838358553 /nfs/dbraw/zinc/35/85/53/838358553.db2.gz FZJNEJNZVAQZSF-CYBMUJFWSA-N 0 0 390.405 3.834 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Cl)cc(Br)c2)[nH]1 ZINC000407980117 838371901 /nfs/dbraw/zinc/37/19/01/838371901.db2.gz INPWSWFEVWKTGM-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cccc(Br)c2Cl)[nH]1 ZINC000407980666 838377500 /nfs/dbraw/zinc/37/75/00/838377500.db2.gz NLAFKCUWCYFIPJ-LBPRGKRZSA-N 0 0 383.677 3.896 10 0 GHAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)C1 ZINC000179094243 838523287 /nfs/dbraw/zinc/52/32/87/838523287.db2.gz MEPCRJOWUBGQMY-GJZGRUSLSA-N 0 0 397.496 3.572 10 0 GHAERN C[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)C1 ZINC000179094221 838523607 /nfs/dbraw/zinc/52/36/07/838523607.db2.gz MEPCRJOWUBGQMY-LSDHHAIUSA-N 0 0 397.496 3.572 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)c1 ZINC000588468983 844348233 /nfs/dbraw/zinc/34/82/33/844348233.db2.gz PUEXANXOVJFZBD-MTORIAGDSA-N 0 0 377.488 3.530 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181736732 838626511 /nfs/dbraw/zinc/62/65/11/838626511.db2.gz DJGPFDCGKDOBBJ-IAGOWNOFSA-N 0 0 385.512 3.945 10 0 GHAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)cc1Cl ZINC000408027510 838691401 /nfs/dbraw/zinc/69/14/01/838691401.db2.gz OEHGQOJXMQXVHO-SFHVURJKSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000408028205 838692760 /nfs/dbraw/zinc/69/27/60/838692760.db2.gz RAGQQXJVCQAXLS-KRWDZBQOSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000408028420 838693670 /nfs/dbraw/zinc/69/36/70/838693670.db2.gz RWJZQPAVKZJACR-QGZVFWFLSA-N 0 0 393.940 3.787 10 0 GHAERN O=C(C=Cc1ccc2ccc(Cl)cc2n1)N[C@@H]1COc2ccccc2C1=O ZINC000588384846 839952152 /nfs/dbraw/zinc/95/21/52/839952152.db2.gz PIJCPCXQLWSEJC-HJCTWCACSA-N 0 0 378.815 3.662 10 0 GHAERN O=C(Nc1cccc(OCc2cscn2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119411517 840199770 /nfs/dbraw/zinc/19/97/70/840199770.db2.gz BXSIQYJRWVUVJM-MGPUTAFESA-N 0 0 387.505 3.881 10 0 GHAERN C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000109550600 840417066 /nfs/dbraw/zinc/41/70/66/840417066.db2.gz XFGMSVYIMSDJLQ-OAHLLOKOSA-N 0 0 395.434 3.801 10 0 GHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC2(C1)Oc1ccccc1O2 ZINC000332853016 844594034 /nfs/dbraw/zinc/59/40/34/844594034.db2.gz LVYRJHMLSGCBPR-KGLIPLIRSA-N 0 0 384.398 3.938 10 0 GHAERN O=C(NCc1ccc(Br)s1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408128985 841072330 /nfs/dbraw/zinc/07/23/30/841072330.db2.gz MRIFKPYYPFLEAM-MGPQQGTHSA-N 0 0 387.343 3.736 10 0 GHAERN CC(C)(c1nnc(NC(=O)N2CCN3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106948521 841156154 /nfs/dbraw/zinc/15/61/54/841156154.db2.gz SAGPFNAWSJDJLN-MRXNPFEDSA-N 0 0 385.537 3.566 10 0 GHAERN CCOc1ccc2ccccc2c1OC(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000588473239 844622475 /nfs/dbraw/zinc/62/24/75/844622475.db2.gz CJLWMYNVYBJIED-FLIBITNWSA-N 0 0 376.412 3.612 10 0 GHAERN CCN1CC[C@H](NC(=O)/C=C\c2cncc(O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000588409744 841302628 /nfs/dbraw/zinc/30/26/28/841302628.db2.gz KDHXEJMLTXQLQU-STMMXGCGSA-N 0 0 389.858 3.545 10 0 GHAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N1CCc2ccc(Cl)cc21 ZINC000120266576 841454848 /nfs/dbraw/zinc/45/48/48/841454848.db2.gz XKGWQXLSMJCCJM-QGZVFWFLSA-N 0 0 375.900 3.593 10 0 GHAERN CC[C@H](C(=O)N1CCC(NC(=O)N2C[C@@H]3CCC[C@H]3C2)CC1)c1ccccc1 ZINC000246502407 841779948 /nfs/dbraw/zinc/77/99/48/841779948.db2.gz SGFNDQYIWJUSCW-ZJOUEHCJSA-N 0 0 383.536 3.613 10 0 GHAERN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1cccc2ncccc21 ZINC000105988161 841845912 /nfs/dbraw/zinc/84/59/12/841845912.db2.gz JNOKKBOHOGHMTH-NRFANRHFSA-N 0 0 395.890 3.692 10 0 GHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C1 ZINC000329322234 861285678 /nfs/dbraw/zinc/28/56/78/861285678.db2.gz RTCMJGKKKLDVEX-RBSFLKMASA-N 0 0 375.494 3.914 10 0 GHAERN C[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(Br)s1 ZINC000162687456 842489968 /nfs/dbraw/zinc/48/99/68/842489968.db2.gz WSMJOSRASKDRLQ-LBPRGKRZSA-N 0 0 396.354 3.829 10 0 GHAERN CC(C)(C)Cc1nnc(N2CC[C@]3(O)CCCC[C@H]3C2)n1C[C@H]1CCCCO1 ZINC000328843816 842540574 /nfs/dbraw/zinc/54/05/74/842540574.db2.gz PRMFQPPZHUVJJI-NJNPRVFISA-N 0 0 390.572 3.567 10 0 GHAERN O=C(Nc1ccc(C(F)(F)F)cc1Cl)NC1CCN(c2ncccn2)CC1 ZINC000111767963 842550027 /nfs/dbraw/zinc/55/00/27/842550027.db2.gz AULDDRJTUWBCCI-UHFFFAOYSA-N 0 0 399.804 3.939 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000588440583 842749272 /nfs/dbraw/zinc/74/92/72/842749272.db2.gz MCITYGBOGQQVTO-QKXCFHHRSA-N 0 0 380.423 3.696 10 0 GHAERN O=C(/C=C\c1ccncn1)NCc1ccc(Br)cc1C(F)(F)F ZINC000588441611 842752922 /nfs/dbraw/zinc/75/29/22/842752922.db2.gz SMOPYRYERXJXFZ-ARJAWSKDSA-N 0 0 386.171 3.588 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc(Br)o1)CCCC2 ZINC000279272746 842782353 /nfs/dbraw/zinc/78/23/53/842782353.db2.gz WMYNCXZGBGQKPU-ZDUSSCGKSA-N 0 0 378.270 3.632 10 0 GHAERN CC(C)c1nc([C@H]2CCCN(C(=O)c3cnc4onc(C(C)C)c4c3)C2)no1 ZINC000328894431 842835947 /nfs/dbraw/zinc/83/59/47/842835947.db2.gz VRJXSXICTXPRBL-ZDUSSCGKSA-N 0 0 383.452 3.872 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)COc2ccc3oc4c(c3c2)CCCC4)cn1 ZINC000328934936 842988088 /nfs/dbraw/zinc/98/80/88/842988088.db2.gz FJTJGYNXPQWDMA-LJQANCHMSA-N 0 0 379.460 3.788 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c2ccccc2)[nH]1 ZINC000162567853 843276707 /nfs/dbraw/zinc/27/67/07/843276707.db2.gz NMOPFKBWKOSLRF-RBZFPXEDSA-N 0 0 391.454 3.582 10 0 GHAERN Cc1ccc(CNC(=O)c2cccc(CNC(=O)/C=C\c3ncccc3C)c2)cc1 ZINC000588451952 843307577 /nfs/dbraw/zinc/30/75/77/843307577.db2.gz SHESSPXLBWJKOU-SEYXRHQNSA-N 0 0 399.494 3.958 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(OCCOc2ccccc2)nc1 ZINC000588452194 843308099 /nfs/dbraw/zinc/30/80/99/843308099.db2.gz MCGMTXKMEALSEV-KHPPLWFESA-N 0 0 389.455 3.572 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C\c2ncccc2C)c(C)c1 ZINC000588452921 843318409 /nfs/dbraw/zinc/31/84/09/843318409.db2.gz FAUSLZNUBBOOFR-OLHLWXQYSA-N 0 0 381.501 3.560 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)OC1CCCC1 ZINC000588453434 843323429 /nfs/dbraw/zinc/32/34/29/843323429.db2.gz QZXYFODFTGPWNT-HJBMFWNLSA-N 0 0 378.472 3.617 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330302239 843610024 /nfs/dbraw/zinc/61/00/24/843610024.db2.gz JKMSGZYJCBSICL-KUHUBIRLSA-N 0 0 388.464 3.641 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(Cl)s3)CCO2)o1 ZINC000332933357 844665220 /nfs/dbraw/zinc/66/52/20/844665220.db2.gz IWXMQSAINGUTET-WDEREUQCSA-N 0 0 384.889 3.752 10 0 GHAERN COC(=O)COc1ccc([C@H](C)NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588479693 844877245 /nfs/dbraw/zinc/87/72/45/844877245.db2.gz PKXXXWPJZFQHEB-CKDIWJPDSA-N 0 0 390.439 3.677 10 0 GHAERN O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151379172 845194518 /nfs/dbraw/zinc/19/45/18/845194518.db2.gz JJWLYDCJWVMMGA-UHFFFAOYSA-N 0 0 378.259 3.879 10 0 GHAERN CC(C)Cc1ccc(CCC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000151671882 845469587 /nfs/dbraw/zinc/46/95/87/845469587.db2.gz YBGSXBKHLHWVHB-IFMALSPDSA-N 0 0 383.536 3.523 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)C1 ZINC000248970335 845482770 /nfs/dbraw/zinc/48/27/70/845482770.db2.gz PCAFRJWASFOIIV-ZACQAIPSSA-N 0 0 377.872 3.760 10 0 GHAERN CCCCOc1cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000248980215 845485236 /nfs/dbraw/zinc/48/52/36/845485236.db2.gz SHYVRABKOZJIPI-IRXDYDNUSA-N 0 0 375.469 3.528 10 0 GHAERN CCCn1nccc1NC(=O)c1ccc(I)cc1Cl ZINC000102720542 845569996 /nfs/dbraw/zinc/56/99/96/845569996.db2.gz STQQWLGYCOTCMF-UHFFFAOYSA-N 0 0 389.624 3.803 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000151782938 845730729 /nfs/dbraw/zinc/73/07/29/845730729.db2.gz LSOMAJKSMYXQAN-ZBFHGGJFSA-N 0 0 388.489 3.509 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000105218106 845953708 /nfs/dbraw/zinc/95/37/08/845953708.db2.gz QMCBTNRKYIHUTR-LJQANCHMSA-N 0 0 396.535 3.581 10 0 GHAERN COc1ccc(N=c2scc(-c3c(C)noc3C)n2[C@@H]2CCCOC2)cn1 ZINC000588497113 846152655 /nfs/dbraw/zinc/15/26/55/846152655.db2.gz OUXYGHUMUGMMBW-OAHLLOKOSA-N 0 0 386.477 3.809 10 0 GHAERN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152172117 846340827 /nfs/dbraw/zinc/34/08/27/846340827.db2.gz SYWPQMISZFXSNR-KKSFZXQISA-N 0 0 396.462 3.550 10 0 GHAERN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000333608937 846596645 /nfs/dbraw/zinc/59/66/45/846596645.db2.gz ZURIPKCQTQFVLA-MUQADHOPSA-N 0 0 383.517 3.650 10 0 GHAERN Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588511462 846821297 /nfs/dbraw/zinc/82/12/97/846821297.db2.gz WXCLKYJPLRNPKV-GKUQOKNUSA-N 0 0 394.496 3.535 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128288297 847102481 /nfs/dbraw/zinc/10/24/81/847102481.db2.gz XIHCKBZJABPLIR-DOMZBBRYSA-N 0 0 397.846 3.675 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000588530793 847723077 /nfs/dbraw/zinc/72/30/77/847723077.db2.gz YODAOKWDFCAYAZ-LQOHYYORSA-N 0 0 381.382 3.521 10 0 GHAERN CC(C)c1ccc(C[C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000153145920 848163214 /nfs/dbraw/zinc/16/32/14/848163214.db2.gz YKTFIMFWMHOGPM-GOSISDBHSA-N 0 0 393.531 3.805 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000329115962 848610283 /nfs/dbraw/zinc/61/02/83/848610283.db2.gz SYTIQTXRQKDBFP-SJORKVTESA-N 0 0 387.480 3.697 10 0 GHAERN C[C@H](NC(=O)/C=C\SCc1ccco1)C1CCN(CC(F)(F)F)CC1 ZINC000588562673 848831147 /nfs/dbraw/zinc/83/11/47/848831147.db2.gz XEJACGFPYKYTRG-HKBVPSITSA-N 0 0 376.444 3.806 10 0 GHAERN CCn1c([C@H]2COCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000329672134 862003617 /nfs/dbraw/zinc/00/36/17/862003617.db2.gz SJAZZYCUKXMTAM-BDJLRTHQSA-N 0 0 397.306 3.816 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3c2cnn3C)ccc1OC(C)C ZINC000154796310 849377242 /nfs/dbraw/zinc/37/72/42/849377242.db2.gz WLKTWDDUMFPETH-KSEUIEODSA-N 0 0 383.492 3.765 10 0 GHAERN O=C(Nc1nccs1)C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000044454686 849515230 /nfs/dbraw/zinc/51/52/30/849515230.db2.gz DHWRZVGKICENAN-UHFFFAOYSA-N 0 0 383.395 3.653 10 0 GHAERN C[C@@H](O)C[C@@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000155440587 849528691 /nfs/dbraw/zinc/52/86/91/849528691.db2.gz BHRALMYSDVYFAN-MJGOQNOKSA-N 0 0 399.510 3.966 10 0 GHAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@@H](c2nccs2)C1 ZINC000155489400 849540464 /nfs/dbraw/zinc/54/04/64/849540464.db2.gz YAIOUNKGYBCDCR-SECBINFHSA-N 0 0 376.429 3.708 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3csc([C@H]4CCCO4)n3)C2)c1 ZINC000155522016 849545717 /nfs/dbraw/zinc/54/57/17/849545717.db2.gz BNOWEUPOYYPYKP-SCLBCKFNSA-N 0 0 388.489 3.642 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000156365955 849885978 /nfs/dbraw/zinc/88/59/78/849885978.db2.gz FLCIGAAWFHRHRG-UHFFFAOYSA-N 0 0 377.286 3.669 10 0 GHAERN COc1cc(Cc2noc([C@@H]3C[C@H]3C3CCCCC3)n2)ccc1S(C)(=O)=O ZINC000329701071 862153506 /nfs/dbraw/zinc/15/35/06/862153506.db2.gz HFVDZMZLUIBDQP-JKSUJKDBSA-N 0 0 390.505 3.756 10 0 GHAERN CCCN(Cc1nnc(-c2ccccc2)n1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549054 851671269 /nfs/dbraw/zinc/67/12/69/851671269.db2.gz STPABWHDWBERLM-KRWDZBQOSA-N 0 0 377.492 3.721 10 0 GHAERN C[C@@H](Sc1ccc(Br)cc1)c1nc([C@@H]2CC(=O)N(C)C2)no1 ZINC000329734078 862274658 /nfs/dbraw/zinc/27/46/58/862274658.db2.gz RCSYTZWPNVOQQP-NXEZZACHSA-N 0 0 382.283 3.631 10 0 GHAERN COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2F)c(Cl)c1 ZINC000101573020 851701551 /nfs/dbraw/zinc/70/15/51/851701551.db2.gz SPKALHZTNPKGSI-LLVKDONJSA-N 0 0 385.844 3.647 10 0 GHAERN Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000101614639 851753979 /nfs/dbraw/zinc/75/39/79/851753979.db2.gz BZDZKXUILJXPMH-QGZVFWFLSA-N 0 0 377.492 3.914 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)[C@@H]1C ZINC000329747776 862286246 /nfs/dbraw/zinc/28/62/46/862286246.db2.gz SOYBDLNYBBJQQZ-GFEQUFNTSA-N 0 0 390.572 3.858 10 0 GHAERN CC1(C)C[C@H](NC(=O)CN2C(=O)CSc3ccccc32)c2ccccc2O1 ZINC000121398607 851886019 /nfs/dbraw/zinc/88/60/19/851886019.db2.gz FQEMEXXWGKQQFM-HNNXBMFYSA-N 0 0 382.485 3.544 10 0 GHAERN CCCOc1ccc(CNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000101783832 851906939 /nfs/dbraw/zinc/90/69/39/851906939.db2.gz LBPNTRQPVZQYGP-QGZVFWFLSA-N 0 0 389.540 3.558 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)C2)c1 ZINC000111805993 851949954 /nfs/dbraw/zinc/94/99/54/851949954.db2.gz MIFLWWUTKYDMAT-GHTZIAJQSA-N 0 0 398.507 3.707 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000102045576 852111149 /nfs/dbraw/zinc/11/11/49/852111149.db2.gz XPCBHNQZYOICNU-ZDUSSCGKSA-N 0 0 383.895 3.561 10 0 GHAERN O=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171777505 853841095 /nfs/dbraw/zinc/84/10/95/853841095.db2.gz RNXGDBDNNOMBKE-IEBWSBKVSA-N 0 0 383.517 3.603 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CCO2)n1 ZINC000328671046 854498628 /nfs/dbraw/zinc/49/86/28/854498628.db2.gz GWVRFHCQJNYHHB-HIFRSBDPSA-N 0 0 389.502 3.504 10 0 GHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328710736 854517805 /nfs/dbraw/zinc/51/78/05/854517805.db2.gz MUUORSSPHCNBOZ-TUVUNVSASA-N 0 0 397.494 3.920 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CCO2)n1 ZINC000328736924 854521657 /nfs/dbraw/zinc/52/16/57/854521657.db2.gz LLCXFHKPPGZLKR-QRVBRYPASA-N 0 0 386.517 3.828 10 0 GHAERN Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000328935358 854607733 /nfs/dbraw/zinc/60/77/33/854607733.db2.gz FPSRCZQLYOOEFB-DENIHFKCSA-N 0 0 396.535 3.589 10 0 GHAERN O=C(c1csc([C@@H]2CCCO2)n1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124564006 854630082 /nfs/dbraw/zinc/63/00/82/854630082.db2.gz RKBQVGMZLDPMAC-HOCLYGCPSA-N 0 0 378.881 3.942 10 0 GHAERN CC1(C)CCC[C@H](CC(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000127558073 855019746 /nfs/dbraw/zinc/01/97/46/855019746.db2.gz HBAYRQUWOMSYGB-OAHLLOKOSA-N 0 0 378.538 3.549 10 0 GHAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000330186654 862645098 /nfs/dbraw/zinc/64/50/98/862645098.db2.gz JWVRKWGULHKVIU-RBUKOAKNSA-N 0 0 398.956 3.502 10 0 GHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000180338346 855455305 /nfs/dbraw/zinc/45/53/05/855455305.db2.gz HWYGUBRLYOBNEA-ZBEGNZNMSA-N 0 0 377.286 3.573 10 0 GHAERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cc1 ZINC000156338356 855999183 /nfs/dbraw/zinc/99/91/83/855999183.db2.gz GZPCRJIZSRPSLO-KRWDZBQOSA-N 0 0 375.538 3.556 10 0 GHAERN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000195343307 856224845 /nfs/dbraw/zinc/22/48/45/856224845.db2.gz XZILWEGQVBNNON-GJZGRUSLSA-N 0 0 387.505 3.511 10 0 GHAERN Cc1ccc(OCCN(C)CC(=O)N[C@@H](c2nccs2)c2ccccc2)cc1 ZINC000104097092 856309399 /nfs/dbraw/zinc/30/93/99/856309399.db2.gz OMPOBYRBSWECCK-OAQYLSRUSA-N 0 0 395.528 3.668 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)c2ccccc21 ZINC000185716459 856413564 /nfs/dbraw/zinc/41/35/64/856413564.db2.gz LVQDGFRPNFKFQU-BEFAXECRSA-N 0 0 384.501 3.624 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000105172802 856522102 /nfs/dbraw/zinc/52/21/02/856522102.db2.gz GNGPLJKHTOLAPF-JOCHJYFZSA-N 0 0 395.503 3.968 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000068360954 857375645 /nfs/dbraw/zinc/37/56/45/857375645.db2.gz FQTVJNBNYWBSBZ-HNNXBMFYSA-N 0 0 392.908 3.575 10 0 GHAERN O=C(c1ccc2ccccc2c1O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000113491054 857946261 /nfs/dbraw/zinc/94/62/61/857946261.db2.gz BYNFVUAMGQQFFH-UHFFFAOYSA-N 0 0 380.488 3.800 10 0 GHAERN C[C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H]1CO ZINC000132778821 858794241 /nfs/dbraw/zinc/79/42/41/858794241.db2.gz AIHRXZKCICHLPG-CXAGYDPISA-N 0 0 396.329 3.674 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000133892052 858821429 /nfs/dbraw/zinc/82/14/29/858821429.db2.gz QHLSNLMJGSDIDY-OAGGEKHMSA-N 0 0 392.425 3.655 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1=O ZINC000162326052 859835247 /nfs/dbraw/zinc/83/52/47/859835247.db2.gz KUWKADICCNAKCN-YZGWKJHDSA-N 0 0 384.520 3.594 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173095625 860802513 /nfs/dbraw/zinc/80/25/13/860802513.db2.gz OZOKXFVEDMMJCX-GOSISDBHSA-N 0 0 391.475 3.942 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000102695962 860820581 /nfs/dbraw/zinc/82/05/81/860820581.db2.gz RRTPAKXHCVOOPH-UONOGXRCSA-N 0 0 376.884 3.885 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([C@H](C)OC)c2)cc1 ZINC000102754712 860849731 /nfs/dbraw/zinc/84/97/31/860849731.db2.gz OZSUHHPFVZXPDH-AWEZNQCLSA-N 0 0 376.478 3.798 10 0 GHAERN CCOCc1ccc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102940807 860910303 /nfs/dbraw/zinc/91/03/03/860910303.db2.gz GGKXYLFGWWHZRO-IBGZPJMESA-N 0 0 382.460 3.999 10 0 GHAERN COCC[C@@H]1CCCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000329015341 860948367 /nfs/dbraw/zinc/94/83/67/860948367.db2.gz GCJZLFSPZLDTOU-NLWGTHIKSA-N 0 0 377.529 3.597 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)C1 ZINC000329113728 861033121 /nfs/dbraw/zinc/03/31/21/861033121.db2.gz RZSAXZCCTCFCKV-USXIJHARSA-N 0 0 377.554 3.790 10 0 GHAERN COc1cc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)cc(OC)c1OC ZINC000103177201 863901972 /nfs/dbraw/zinc/90/19/72/863901972.db2.gz SVXJXOOKQVCBAQ-UHFFFAOYSA-N 0 0 397.475 3.544 10 0 GHAERN COCCOc1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)ccc1OC ZINC000103234889 863917043 /nfs/dbraw/zinc/91/70/43/863917043.db2.gz QLZXVVWKGRARPE-UHFFFAOYSA-N 0 0 397.475 3.874 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(N4CCOCC4)cc3C)c21 ZINC000103234961 863917389 /nfs/dbraw/zinc/91/73/89/863917389.db2.gz ZZNQDMXPJGVMCG-UHFFFAOYSA-N 0 0 392.503 3.986 10 0 GHAERN CCc1cccc(NC(=O)CNC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000103312273 863954031 /nfs/dbraw/zinc/95/40/31/863954031.db2.gz JIXXYAQJEOUOMJ-JOCHJYFZSA-N 0 0 388.471 3.671 10 0 GHAERN COc1cc2c(cc1OC)CN(C(=O)NCCc1c[nH]c3cccc(C)c13)CC2 ZINC000103317171 863956605 /nfs/dbraw/zinc/95/66/05/863956605.db2.gz DPPSBHDKFAOYNA-UHFFFAOYSA-N 0 0 393.487 3.804 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000103412425 864014408 /nfs/dbraw/zinc/01/44/08/864014408.db2.gz AJJJEPYLCOMUAN-LLVKDONJSA-N 0 0 381.548 3.738 10 0 GHAERN CO[C@H](C)c1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000103788012 864054729 /nfs/dbraw/zinc/05/47/29/864054729.db2.gz PILSULVSOMAZJM-ZIAGYGMSSA-N 0 0 379.453 3.724 10 0 GHAERN CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103792474 864057043 /nfs/dbraw/zinc/05/70/43/864057043.db2.gz XUVCHMBJHWVGKY-UHFFFAOYSA-N 0 0 390.274 3.720 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000103848202 864060833 /nfs/dbraw/zinc/06/08/33/864060833.db2.gz HJHCSNBITVFXKU-CYBMUJFWSA-N 0 0 375.856 3.738 10 0 GHAERN C[C@@H](NC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000103734976 864074523 /nfs/dbraw/zinc/07/45/23/864074523.db2.gz KILYMZUBVSIUEQ-VXGBXAGGSA-N 0 0 385.407 3.534 10 0 GHAERN C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000103734943 864074604 /nfs/dbraw/zinc/07/46/04/864074604.db2.gz HRTSJFDTMOLMEC-JTQLQIEISA-N 0 0 395.772 3.826 10 0 GHAERN C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103750306 864080793 /nfs/dbraw/zinc/08/07/93/864080793.db2.gz ZPFTZEJERUABAN-NSHDSACASA-N 0 0 376.247 3.802 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)c2)oc1C ZINC000103767255 864086936 /nfs/dbraw/zinc/08/69/36/864086936.db2.gz SWOPMLQVBAZGRU-UHFFFAOYSA-N 0 0 394.822 3.840 10 0 GHAERN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O ZINC000303247388 865114595 /nfs/dbraw/zinc/11/45/95/865114595.db2.gz MBXWIOPVQGFMJU-HZPDHXFCSA-N 0 0 399.516 3.567 10 0 GHAERN Cn1c(CN2CCN(c3nc4ccccc4o3)CC2)nc2cc(Cl)ccc21 ZINC000303287070 865252921 /nfs/dbraw/zinc/25/29/21/865252921.db2.gz NLHJHGAFPDXLGN-UHFFFAOYSA-N 0 0 381.867 3.690 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000105027015 866407134 /nfs/dbraw/zinc/40/71/34/866407134.db2.gz HLECYPAFOFLEHX-UHFFFAOYSA-N 0 0 386.471 3.544 10 0 GHAERN C[C@@H]1CCCN(c2cc(N3CCC(c4nc5ccccc5[nH]4)CC3)ncn2)C1 ZINC000110125807 866611299 /nfs/dbraw/zinc/61/12/99/866611299.db2.gz SJSIKIDSOGWRKK-MRXNPFEDSA-N 0 0 376.508 3.973 10 0 GHAERN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000151114207 866696584 /nfs/dbraw/zinc/69/65/84/866696584.db2.gz ILMGRYQQOBOKSS-QKKBWIMNSA-N 0 0 376.472 3.578 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000111832724 866708085 /nfs/dbraw/zinc/70/80/85/866708085.db2.gz MATKQGTWFDUFSZ-HZPDHXFCSA-N 0 0 399.539 3.825 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000114826336 866772912 /nfs/dbraw/zinc/77/29/12/866772912.db2.gz XMVLZKLYNUDHEC-RDJZCZTQSA-N 0 0 398.532 3.920 10 0 GHAERN CC1CCC(N2C[C@@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)CC1 ZINC000115366664 866781182 /nfs/dbraw/zinc/78/11/82/866781182.db2.gz KDCLPFXHFXHSHW-ODZFXCKXSA-N 0 0 375.538 3.624 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151242971 867088276 /nfs/dbraw/zinc/08/82/76/867088276.db2.gz PJXXSRXMGVUGNS-AUUYWEPGSA-N 0 0 394.302 3.946 10 0 GHAERN O=C(c1cccc(I)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000171646047 882122124 /nfs/dbraw/zinc/12/21/24/882122124.db2.gz FRIKYWFYVCXJTP-GFCCVEGCSA-N 0 0 398.269 3.768 10 0 GHAERN Cc1csc(C2CCN(S(=O)(=O)c3ccc(Cl)nc3Cl)CC2)n1 ZINC000171426588 882125070 /nfs/dbraw/zinc/12/50/70/882125070.db2.gz WPRIHPUNNJNLPN-UHFFFAOYSA-N 0 0 392.333 3.722 10 0 GHAERN COc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1OC(F)F ZINC000171609348 882145537 /nfs/dbraw/zinc/14/55/37/882145537.db2.gz MJKQNFFSAKVCHD-UHFFFAOYSA-N 0 0 376.403 3.787 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CCC(Cc4ccccn4)CC3)cc2NC1=O ZINC000171612682 882145989 /nfs/dbraw/zinc/14/59/89/882145989.db2.gz QYJRGRJUVLPWFS-CQSZACIVSA-N 0 0 381.501 3.609 10 0 GHAERN O=C(NCC1(c2ccccc2)CCOCC1)N1CCC(Cc2ccccn2)CC1 ZINC000171902047 882177456 /nfs/dbraw/zinc/17/74/56/882177456.db2.gz ISNFUSSRCKOHLA-UHFFFAOYSA-N 0 0 393.531 3.794 10 0 GHAERN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCC(Cc2ccccn2)CC1 ZINC000171901565 882178084 /nfs/dbraw/zinc/17/80/84/882178084.db2.gz YNJBMACBRUFESZ-HXUWFJFHSA-N 0 0 378.520 3.572 10 0 GHAERN O=C(Cc1cn2ccccc2n1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051425 882185684 /nfs/dbraw/zinc/18/56/84/882185684.db2.gz WPHBKKVOYHVBQK-SFHVURJKSA-N 0 0 385.471 3.673 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000172222261 882188506 /nfs/dbraw/zinc/18/85/06/882188506.db2.gz PINHMKGSNHZDPJ-ZIAGYGMSSA-N 0 0 375.494 3.811 10 0 GHAERN O=C(NCCc1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172235335 882189671 /nfs/dbraw/zinc/18/96/71/882189671.db2.gz VKUVFEJODHHXDM-SFHVURJKSA-N 0 0 375.476 3.603 10 0 GHAERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000172634993 882280911 /nfs/dbraw/zinc/28/09/11/882280911.db2.gz YABDITPITJCMEV-RXVVDRJESA-N 0 0 398.503 3.717 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccc(C)o3)CC2)n1 ZINC000172557352 882295733 /nfs/dbraw/zinc/29/57/33/882295733.db2.gz RAFWLPYFCSFEJD-GOSISDBHSA-N 0 0 398.507 3.747 10 0 GHAERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172738906 882305116 /nfs/dbraw/zinc/30/51/16/882305116.db2.gz YJSQGWDBQVNVLP-GOSISDBHSA-N 0 0 391.515 3.761 10 0 GHAERN COc1ccccc1-c1nnc(C[S@](=O)Cc2cc(-c3ccccc3)on2)o1 ZINC000172839330 882312476 /nfs/dbraw/zinc/31/24/76/882312476.db2.gz LDOWFHRRYDPANM-MUUNZHRXSA-N 0 0 395.440 3.849 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172985527 882328529 /nfs/dbraw/zinc/32/85/29/882328529.db2.gz BLQCXISKFOZCQP-UXHICEINSA-N 0 0 376.456 3.640 10 0 GHAERN CC(C)c1cc(C(=O)N2CCC(Cn3cccn3)CC2)c2cnn(C(C)C)c2n1 ZINC000126279523 869756674 /nfs/dbraw/zinc/75/66/74/869756674.db2.gz VFIOWPHNZGWIQW-UHFFFAOYSA-N 0 0 394.523 3.885 10 0 GHAERN Cc1ccc(-c2ocnc2C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000173210321 882340488 /nfs/dbraw/zinc/34/04/88/882340488.db2.gz LJCXHCPDXTTZIS-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000173489576 882364765 /nfs/dbraw/zinc/36/47/65/882364765.db2.gz YTVPDQXYYSWJGQ-AUSIDOKSSA-N 0 0 394.540 3.717 10 0 GHAERN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173729237 882369359 /nfs/dbraw/zinc/36/93/59/882369359.db2.gz OEHXVDCPSDCPPA-CRAIPNDOSA-N 0 0 383.496 3.530 10 0 GHAERN O=S(=O)(c1sccc1Br)N1CCC[C@H](c2nccs2)C1 ZINC000114741863 870128034 /nfs/dbraw/zinc/12/80/34/870128034.db2.gz AYEHVCHVOCXFFE-VIFPVBQESA-N 0 0 393.353 3.535 10 0 GHAERN C[C@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccncc1 ZINC000114782253 870177945 /nfs/dbraw/zinc/17/79/45/870177945.db2.gz XNBHIZKBRRCBKO-LBPRGKRZSA-N 0 0 391.393 3.864 10 0 GHAERN O=C(c1ccco1)N1CCCC[C@@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174087207 882424225 /nfs/dbraw/zinc/42/42/25/882424225.db2.gz NSIVHVUCMNQHIP-LJQANCHMSA-N 0 0 399.466 3.517 10 0 GHAERN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000103044650 871133751 /nfs/dbraw/zinc/13/37/51/871133751.db2.gz XJNMYGYZEKXJSF-UHFFFAOYSA-N 0 0 395.846 3.981 10 0 GHAERN COc1cc(CN2CCCN(C(=O)c3cccs3)CC2)cc(Cl)c1OC ZINC000093385789 882524639 /nfs/dbraw/zinc/52/46/39/882524639.db2.gz PGTKXNWRJNSRBX-UHFFFAOYSA-N 0 0 394.924 3.767 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174858510 882532282 /nfs/dbraw/zinc/53/22/82/882532282.db2.gz WNZHDENZYVNPHF-YADHBBJMSA-N 0 0 392.499 3.537 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000174853410 882532591 /nfs/dbraw/zinc/53/25/91/882532591.db2.gz SJVQJMYPNNPTOE-GDBMZVCRSA-N 0 0 384.446 3.779 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(Br)o3)C2)c1 ZINC000175406897 882553420 /nfs/dbraw/zinc/55/34/20/882553420.db2.gz NDSYHBMVROUOJX-LLVKDONJSA-N 0 0 380.238 3.689 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000114903500 871902872 /nfs/dbraw/zinc/90/28/72/871902872.db2.gz NJBHMZPUNZBJCF-KRWDZBQOSA-N 0 0 395.507 3.693 10 0 GHAERN COC[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccc(C)o1 ZINC000175695874 882573648 /nfs/dbraw/zinc/57/36/48/882573648.db2.gz MUCXHDDNAICMEU-SFHVURJKSA-N 0 0 375.444 3.701 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175481506 882584849 /nfs/dbraw/zinc/58/48/49/882584849.db2.gz AFAMCCXPBPRQRI-DKFQHHCZSA-N 0 0 383.410 3.905 10 0 GHAERN C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175569926 882599002 /nfs/dbraw/zinc/59/90/02/882599002.db2.gz KDHJKNVNHLEDGY-WMZOPIPTSA-N 0 0 384.524 3.763 10 0 GHAERN CCn1ncc2ccc(NC(=O)NC3CCN(c4ccc(C)cn4)CC3)cc21 ZINC000175761154 882624270 /nfs/dbraw/zinc/62/42/70/882624270.db2.gz JAKARBQLUFZEKJ-UHFFFAOYSA-N 0 0 378.480 3.550 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)/C=C/c3ccc4ccccc4n3)C2)c1 ZINC000102383316 872987117 /nfs/dbraw/zinc/98/71/17/872987117.db2.gz IPTIJRGCILUZNW-DXRVJIQQSA-N 0 0 387.483 3.899 10 0 GHAERN COc1ccc([C@@H](NC(=O)/C=C/Sc2ccccc2)c2nccn2C)cc1 ZINC000016476428 873068737 /nfs/dbraw/zinc/06/87/37/873068737.db2.gz AMCZYVKYMAYQNT-IZLCOFNUSA-N 0 0 379.485 3.940 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3sc(=S)[nH]c3C)C2)c1 ZINC000176384328 882687485 /nfs/dbraw/zinc/68/74/85/882687485.db2.gz VJNBFZCCEXUEPS-GFCCVEGCSA-N 0 0 378.519 3.690 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc4c(c3)CCCN4C)C2)c1 ZINC000102534597 873255286 /nfs/dbraw/zinc/25/52/86/873255286.db2.gz HTLVIRXVXNFHJA-KRWDZBQOSA-N 0 0 394.519 3.726 10 0 GHAERN CC(C)CCO[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000176588920 882715457 /nfs/dbraw/zinc/71/54/57/882715457.db2.gz ZCJGRIRKOZTICO-ICSRJNTNSA-N 0 0 387.524 3.594 10 0 GHAERN CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1cccc2ncccc21 ZINC000102660142 873394330 /nfs/dbraw/zinc/39/43/30/873394330.db2.gz KFDHVSJFSYWRNX-MRXNPFEDSA-N 0 0 397.500 3.663 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000116568014 873567383 /nfs/dbraw/zinc/56/73/83/873567383.db2.gz WLHPLKYXKAINBX-AVRDEDQJSA-N 0 0 378.520 3.666 10 0 GHAERN C[C@@H]1CCc2c(sc(=O)n2CN2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000102764668 873570257 /nfs/dbraw/zinc/57/02/57/873570257.db2.gz BACKLYULLAVJCI-DYVFJYSZSA-N 0 0 378.925 3.719 10 0 GHAERN Cc1cc(=O)oc2cc(OS(=O)(=O)Cc3ccccc3F)c(Cl)cc12 ZINC000102775682 873576059 /nfs/dbraw/zinc/57/60/59/873576059.db2.gz JNKWNGNHHZTLPB-UHFFFAOYSA-N 0 0 382.796 3.803 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000102796856 873591858 /nfs/dbraw/zinc/59/18/58/873591858.db2.gz CKUIAXUANQZWPU-CYBMUJFWSA-N 0 0 391.418 3.693 10 0 GHAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000117016191 873849490 /nfs/dbraw/zinc/84/94/90/873849490.db2.gz XTWJSXGNGIJPFS-UHFFFAOYSA-N 0 0 384.501 3.861 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000177357876 882788750 /nfs/dbraw/zinc/78/87/50/882788750.db2.gz HAHDBJXAVLWTPI-ZFWWWQNUSA-N 0 0 386.452 3.572 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc3ccccc3cc2C(=O)OC)C1 ZINC000103979782 874043681 /nfs/dbraw/zinc/04/36/81/874043681.db2.gz VIPYGTFTWBNRAT-QGZVFWFLSA-N 0 0 382.460 3.604 10 0 GHAERN O=C(c1cc(I)c[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117856692 874225791 /nfs/dbraw/zinc/22/57/91/874225791.db2.gz NLTBBPDSPLAIPE-UHFFFAOYSA-N 0 0 384.242 3.610 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CC=C(c2cccs2)CC1 ZINC000117896202 874231167 /nfs/dbraw/zinc/23/11/67/874231167.db2.gz OMQGOBYUCRJRBL-AWEZNQCLSA-N 0 0 399.516 3.831 10 0 GHAERN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177504385 882808492 /nfs/dbraw/zinc/80/84/92/882808492.db2.gz RBQBTEQUWJKREW-CYBMUJFWSA-N 0 0 397.422 3.593 10 0 GHAERN C[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(-n2cncn2)cc1 ZINC000117955646 874281694 /nfs/dbraw/zinc/28/16/94/874281694.db2.gz XWCRWDDCMXSXLK-HNNXBMFYSA-N 0 0 379.489 3.889 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)n1 ZINC000177284707 882816047 /nfs/dbraw/zinc/81/60/47/882816047.db2.gz AHXBZADDSGHGNX-UHFFFAOYSA-N 0 0 378.476 3.700 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cc(Br)cnc1Cl ZINC000104461127 874412083 /nfs/dbraw/zinc/41/20/83/874412083.db2.gz STXIQOHPCCPEGD-UHFFFAOYSA-N 0 0 383.673 3.821 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C[C@@H](O)c3ccccc3)nc21 ZINC000177655869 882840066 /nfs/dbraw/zinc/84/00/66/882840066.db2.gz HTZNMDPDGONBGW-AZUAARDMSA-N 0 0 377.488 3.919 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)c1nnc2n1CCCC2 ZINC000177942177 882849791 /nfs/dbraw/zinc/84/97/91/882849791.db2.gz HMYJGNUUYULTMK-CQSZACIVSA-N 0 0 393.495 3.573 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)c2ccc3nc(Cl)ccc3c2)c1 ZINC000104902361 874844742 /nfs/dbraw/zinc/84/47/42/874844742.db2.gz WABFFUMYNFONQI-UHFFFAOYSA-N 0 0 383.835 3.655 10 0 GHAERN Cc1cc(O)ccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000153919398 875156786 /nfs/dbraw/zinc/15/67/86/875156786.db2.gz NAUQOXQKWVXVJK-LZGZYFLISA-N 0 0 382.504 3.847 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)C1 ZINC000119472099 875260220 /nfs/dbraw/zinc/26/02/20/875260220.db2.gz OUZKFGGQPXRLDD-ZDUSSCGKSA-N 0 0 388.418 3.598 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000179940960 883039208 /nfs/dbraw/zinc/03/92/08/883039208.db2.gz KMIGSLZSDMBKSD-TZIWHRDSSA-N 0 0 375.472 3.906 10 0 GHAERN C[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180554630 883079040 /nfs/dbraw/zinc/07/90/40/883079040.db2.gz QGHGYKFHYYDMFL-OAHLLOKOSA-N 0 0 387.911 3.764 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3cccc(OCc4cccnc4)c3)CCO2)o1 ZINC000180739885 883097400 /nfs/dbraw/zinc/09/74/00/883097400.db2.gz FOXRFKKNZSAZJG-QFIPXVFZSA-N 0 0 392.455 3.705 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3sc(-c4ncccn4)nc3C)C2)cc1 ZINC000121895294 877930336 /nfs/dbraw/zinc/93/03/36/877930336.db2.gz OUKKLWVZRZNPHR-CZUORRHYSA-N 0 0 394.500 3.935 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cnc(-c4ccccc4)nc3C)CC2)nc1 ZINC000122187554 878419495 /nfs/dbraw/zinc/41/94/95/878419495.db2.gz QXGVOBVOOCYLJJ-UHFFFAOYSA-N 0 0 387.487 3.554 10 0 GHAERN Cn1cnnc1C1CCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000024691439 878806639 /nfs/dbraw/zinc/80/66/39/878806639.db2.gz FKIXPSPGQIODSR-HWKANZROSA-N 0 0 398.816 3.907 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122463541 878925800 /nfs/dbraw/zinc/92/58/00/878925800.db2.gz BHKFXQSRNRZRDU-SJORKVTESA-N 0 0 394.441 3.558 10 0 GHAERN CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000152589204 879712066 /nfs/dbraw/zinc/71/20/66/879712066.db2.gz WTUNQWCOFVMHPG-FXAWDEMLSA-N 0 0 393.535 3.900 10 0 GHAERN CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@H]1CCCN(c2cccnn2)C1 ZINC000152589103 879712141 /nfs/dbraw/zinc/71/21/41/879712141.db2.gz WTUNQWCOFVMHPG-PXNSSMCTSA-N 0 0 393.535 3.900 10 0 GHAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103497451 881228624 /nfs/dbraw/zinc/22/86/24/881228624.db2.gz UEUPFBZLJVZTDY-LLVKDONJSA-N 0 0 387.958 3.922 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)nc1 ZINC000181562856 883164178 /nfs/dbraw/zinc/16/41/78/883164178.db2.gz WCYYSKOLYOFTOS-UHFFFAOYSA-N 0 0 398.478 3.647 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000183520325 883268044 /nfs/dbraw/zinc/26/80/44/883268044.db2.gz MFTMKFHJLKCPPR-ORAYPTAESA-N 0 0 396.878 3.881 10 0 GHAERN CC(C)COc1ncc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1Cl ZINC000183206865 883272712 /nfs/dbraw/zinc/27/27/12/883272712.db2.gz MOFZAHHCTZGORB-UHFFFAOYSA-N 0 0 390.915 3.598 10 0 GHAERN Cc1cnc([C@H](C)CNC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000183207456 883272955 /nfs/dbraw/zinc/27/29/55/883272955.db2.gz HIYIKDWTAKJMHC-CYBMUJFWSA-N 0 0 376.501 3.980 10 0 GHAERN COc1ccc(/C=C(\C)C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)cc1F ZINC000183983927 883295415 /nfs/dbraw/zinc/29/54/15/883295415.db2.gz NTACJIYFZRIFOE-FMAYLGMYSA-N 0 0 399.397 3.974 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3ccccc3[C@H]2C)c2ccc(F)cc2C1 ZINC000184009866 883296643 /nfs/dbraw/zinc/29/66/43/883296643.db2.gz JYSPYBRGQZNWFV-IVZQSRNASA-N 0 0 395.478 3.948 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000184021731 883299491 /nfs/dbraw/zinc/29/94/91/883299491.db2.gz ATFRNRUFMWNIQK-HXUWFJFHSA-N 0 0 387.430 3.600 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184025168 883300662 /nfs/dbraw/zinc/30/06/62/883300662.db2.gz AOQGOGQFCDCRSY-PGRDOPGGSA-N 0 0 395.478 3.818 10 0 GHAERN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184036918 883302704 /nfs/dbraw/zinc/30/27/04/883302704.db2.gz BVOJDOGFUSPQHL-UHFFFAOYSA-N 0 0 379.508 3.734 10 0 GHAERN CC[C@H](NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1nccs1 ZINC000184036702 883303242 /nfs/dbraw/zinc/30/32/42/883303242.db2.gz DLUWWCJOHUHLIF-DLBZAZTESA-N 0 0 390.484 3.526 10 0 GHAERN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183900757 883309514 /nfs/dbraw/zinc/30/95/14/883309514.db2.gz GKSYSLWUYWKBEX-JTSKRJEESA-N 0 0 391.515 3.764 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000184564457 883356796 /nfs/dbraw/zinc/35/67/96/883356796.db2.gz DMGMUPRGCWVODO-UHFFFAOYSA-N 0 0 378.444 3.854 10 0 GHAERN O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCSC[C@@H]1c1nccs1 ZINC000184498921 883362869 /nfs/dbraw/zinc/36/28/69/883362869.db2.gz RCGUKYFSSKYOIM-DKRLNXSXSA-N 0 0 382.514 3.659 10 0 GHAERN Cc1c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cccc1OCC(F)(F)F ZINC000184816647 883383728 /nfs/dbraw/zinc/38/37/28/883383728.db2.gz FQHOZOWWPWFFRB-CYBMUJFWSA-N 0 0 383.374 3.813 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000184934504 883406361 /nfs/dbraw/zinc/40/63/61/883406361.db2.gz NZUQRYLJQUWLLI-QGZVFWFLSA-N 0 0 384.426 3.717 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)c1 ZINC000184968133 883407903 /nfs/dbraw/zinc/40/79/03/883407903.db2.gz RCOUMOIFTFNNRS-UHFFFAOYSA-N 0 0 395.503 3.684 10 0 GHAERN COc1ccc(-c2nc(C[S@@](=O)CCC(Cl)(Cl)Cl)no2)cc1 ZINC000185091139 883418470 /nfs/dbraw/zinc/41/84/70/883418470.db2.gz SFEGHGQSELKWCG-QFIPXVFZSA-N 0 0 383.684 3.754 10 0 GHAERN CC[C@]1(C)CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185246806 883429422 /nfs/dbraw/zinc/42/94/22/883429422.db2.gz OUTRZRHQRCPGPJ-TZIWHRDSSA-N 0 0 375.488 3.841 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3c2cccc3F)c2ccc(F)cc2C1 ZINC000185249441 883429833 /nfs/dbraw/zinc/42/98/33/883429833.db2.gz RQPPJXBHGGROLI-LJQANCHMSA-N 0 0 385.414 3.530 10 0 GHAERN COCCC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000185401895 883450328 /nfs/dbraw/zinc/45/03/28/883450328.db2.gz JPKNHYLTUZJACA-UHFFFAOYSA-N 0 0 392.565 3.704 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCn2ccc3ccccc32)c2ccc(F)cc2C1 ZINC000185502754 883546425 /nfs/dbraw/zinc/54/64/25/883546425.db2.gz UNWCOBOFWSZPJK-OAQYLSRUSA-N 0 0 393.462 3.780 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccc(F)cc2C1 ZINC000185508649 883547260 /nfs/dbraw/zinc/54/72/60/883547260.db2.gz BNGZWFCSBDGKMJ-QFIPXVFZSA-N 0 0 393.462 3.849 10 0 GHAERN CCOc1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C ZINC000185521729 883550474 /nfs/dbraw/zinc/55/04/74/883550474.db2.gz LDNSWRLZOAQUMD-HXUWFJFHSA-N 0 0 384.451 3.756 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)c2ccc(F)cc2C1 ZINC000185535266 883551799 /nfs/dbraw/zinc/55/17/99/883551799.db2.gz LJYVZGZAAWTQPI-HXUWFJFHSA-N 0 0 379.435 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C2(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000185538980 883552377 /nfs/dbraw/zinc/55/23/77/883552377.db2.gz HVEKTXITYGHOLV-NRFANRHFSA-N 0 0 380.463 3.758 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)CCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185538192 883552942 /nfs/dbraw/zinc/55/29/42/883552942.db2.gz GDXDOTVCHNXGIZ-AOMKIAJQSA-N 0 0 398.478 3.840 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185564690 883558243 /nfs/dbraw/zinc/55/82/43/883558243.db2.gz YOQBYRFGKDFICL-LHSJRXKWSA-N 0 0 386.442 3.753 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)c2ccc(F)cc2C1 ZINC000185565352 883558453 /nfs/dbraw/zinc/55/84/53/883558453.db2.gz JSADXSLDVSUZAS-FQEVSTJZSA-N 0 0 393.462 3.768 10 0 GHAERN COc1ccc(F)cc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185568594 883558551 /nfs/dbraw/zinc/55/85/51/883558551.db2.gz KCAYBKGOAOMNAX-KRWDZBQOSA-N 0 0 389.402 3.588 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000185657142 883572274 /nfs/dbraw/zinc/57/22/74/883572274.db2.gz GFMZPVFUAPPATB-CVEARBPZSA-N 0 0 389.421 3.696 10 0 GHAERN CSCc1ccccc1NC(=O)N1CCNC(=O)[C@@H]1c1ccc(F)cc1C ZINC000185902435 883586591 /nfs/dbraw/zinc/58/65/91/883586591.db2.gz NLHVIHOQNMLHEX-SFHVURJKSA-N 0 0 387.480 3.702 10 0 GHAERN Cc1nnc([C@H](NC(=O)CCCC(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000186153072 883615677 /nfs/dbraw/zinc/61/56/77/883615677.db2.gz DDQMQQYGWCDXMN-OAQYLSRUSA-N 0 0 376.460 3.680 10 0 GHAERN COc1cc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)ccc1OC(C)C ZINC000186222889 883623200 /nfs/dbraw/zinc/62/32/00/883623200.db2.gz JFMPTIUVXPWVAC-UHFFFAOYSA-N 0 0 398.507 3.976 10 0 GHAERN CN1C(=S)N=NC1C1CCN(C(=O)C=Cc2ccc3ccccc3c2)CC1 ZINC000186260757 883634283 /nfs/dbraw/zinc/63/42/83/883634283.db2.gz CPIQGBHEAONXSY-VQHVLOKHSA-N 0 0 378.501 3.676 10 0 GHAERN COc1ccccc1[C@@H](N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000186289671 883636166 /nfs/dbraw/zinc/63/61/66/883636166.db2.gz FGRCMKVUWDLBEN-LAUBAEHRSA-N 0 0 383.469 3.886 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(COC(C)(C)C)on3)C2)c1 ZINC000186285884 883636514 /nfs/dbraw/zinc/63/65/14/883636514.db2.gz TUBBLEOGVUIGEP-AWEZNQCLSA-N 0 0 388.464 3.637 10 0 GHAERN CC[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1OCC(=O)N(C)C ZINC000186541819 883662795 /nfs/dbraw/zinc/66/27/95/883662795.db2.gz PQAFTRGRUPPJIJ-GOSISDBHSA-N 0 0 396.491 3.694 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3cc(Br)cs3)ccc2NC1=O ZINC000186643583 883680897 /nfs/dbraw/zinc/68/08/97/883680897.db2.gz HUYIVDVRFMFOHS-UHFFFAOYSA-N 0 0 395.282 3.810 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3cc(Cl)cc4c3OCC4)ccc2NC1=O ZINC000186651535 883680926 /nfs/dbraw/zinc/68/09/26/883680926.db2.gz AKVTUONHZYVTSS-UHFFFAOYSA-N 0 0 386.839 3.574 10 0 GHAERN CN(Cc1nc2c(s1)CCCC2)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186698152 883687621 /nfs/dbraw/zinc/68/76/21/883687621.db2.gz QQBBZMUQEYBOSQ-UHFFFAOYSA-N 0 0 385.493 3.663 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1 ZINC000187850899 883810287 /nfs/dbraw/zinc/81/02/87/883810287.db2.gz PNKILWPDNBNHMO-ICSRJNTNSA-N 0 0 396.487 3.581 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)NCc2c(F)cc(Br)cc2F)cn1 ZINC000187898319 883810958 /nfs/dbraw/zinc/81/09/58/883810958.db2.gz FSGUHUAHKWVJSA-HNNXBMFYSA-N 0 0 399.239 3.508 10 0 GHAERN COc1ccc(C[C@H](C)CNC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000187717390 883816002 /nfs/dbraw/zinc/81/60/02/883816002.db2.gz SGHWXSJZGVLDKE-HNNXBMFYSA-N 0 0 388.537 3.616 10 0 GHAERN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cs1 ZINC000188461854 883852399 /nfs/dbraw/zinc/85/23/99/883852399.db2.gz GMYKZOPHVBKXSW-GPZIAXRUSA-N 0 0 384.501 3.727 10 0 GHAERN CCOc1cc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1OC(F)F ZINC000188488648 883853153 /nfs/dbraw/zinc/85/31/53/883853153.db2.gz FTGDLAIMKMAMBG-ZDUSSCGKSA-N 0 0 380.439 3.978 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1cc3c(cccc3OC(F)F)[nH]1)[C@@H]2C ZINC000188770681 883881476 /nfs/dbraw/zinc/88/14/76/883881476.db2.gz BGYBELBADLBUSG-LLVKDONJSA-N 0 0 389.406 3.701 10 0 GHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)ncc1Cl ZINC000188901525 883883709 /nfs/dbraw/zinc/88/37/09/883883709.db2.gz OIUYWHORCSMZHM-OLZOCXBDSA-N 0 0 383.677 3.608 10 0 GHAERN C[C@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[C@H]1COc2ccccc21 ZINC000188906769 883883933 /nfs/dbraw/zinc/88/39/33/883883933.db2.gz BXECOQSDYNTLJQ-SUMWQHHRSA-N 0 0 386.448 3.599 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2C1 ZINC000189123592 883921147 /nfs/dbraw/zinc/92/11/47/883921147.db2.gz QIQRQAHPMQCLTA-JOCHJYFZSA-N 0 0 398.478 3.765 10 0 GHAERN O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189365632 883940002 /nfs/dbraw/zinc/94/00/02/883940002.db2.gz YNWMWMVAPKYUMW-UHFFFAOYSA-N 0 0 399.299 3.646 10 0 GHAERN O=C(c1ccccc1NCc1cccnc1)N1CCC(Nc2nccs2)CC1 ZINC000189359740 883940407 /nfs/dbraw/zinc/94/04/07/883940407.db2.gz VXNAPJFUWHJPDS-UHFFFAOYSA-N 0 0 393.516 3.867 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@H]1C ZINC000189500529 883948299 /nfs/dbraw/zinc/94/82/99/883948299.db2.gz FVLVXHYYWKPSKK-ZBFHGGJFSA-N 0 0 393.915 3.993 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2CC(F)(F)F)cs1 ZINC000189437005 883954450 /nfs/dbraw/zinc/95/44/50/883954450.db2.gz GOZNMSMPELCDPO-HNNXBMFYSA-N 0 0 397.422 3.859 10 0 GHAERN O=C(c1csc(-c2cnccn2)n1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189642682 883976254 /nfs/dbraw/zinc/97/62/54/883976254.db2.gz VIYSAYYVVBHONT-LBPRGKRZSA-N 0 0 386.427 3.898 10 0 GHAERN COc1ccccc1-c1noc(CNc2ccccc2C(=O)NC(C)(C)C)n1 ZINC000063468570 883989020 /nfs/dbraw/zinc/98/90/20/883989020.db2.gz QGXHAXIPJGXGGE-UHFFFAOYSA-N 0 0 380.448 3.886 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2Br)C[C@H]1C ZINC000189764429 884005457 /nfs/dbraw/zinc/00/54/57/884005457.db2.gz ADNJXMXQJPKPKN-MWLCHTKSSA-N 0 0 389.677 3.765 10 0 GHAERN CCO[C@@H]1C[C@@](NCc2ncc(-c3ccccc3Cl)o2)(C(=O)OC)C1(C)C ZINC000189825488 884014380 /nfs/dbraw/zinc/01/43/80/884014380.db2.gz JZVLLUIHKLULGE-OXQOHEQNSA-N 0 0 392.883 3.831 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000190073270 884036410 /nfs/dbraw/zinc/03/64/10/884036410.db2.gz KJWZSCYCQSMCNU-QZTJIDSGSA-N 0 0 387.455 3.708 10 0 GHAERN O=C(Oc1ccc(OCC2CC2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000063623077 884041205 /nfs/dbraw/zinc/04/12/05/884041205.db2.gz UBVTWNYZOMJSKG-UHFFFAOYSA-N 0 0 385.485 3.995 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cccc3ccn(C)c32)c2ccc(F)cc2C1 ZINC000190056186 884046156 /nfs/dbraw/zinc/04/61/56/884046156.db2.gz JKFOKDSSRHHEPY-IBGZPJMESA-N 0 0 394.450 3.932 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000190397890 884059370 /nfs/dbraw/zinc/05/93/70/884059370.db2.gz CFRJYRWGFHNUQI-ZFWWWQNUSA-N 0 0 384.885 3.616 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)N[C@H]2CCOc3c(C)cccc32)CC1 ZINC000190232868 884060424 /nfs/dbraw/zinc/06/04/24/884060424.db2.gz PZCPYGZJNXHEMP-IBGZPJMESA-N 0 0 387.524 3.545 10 0 GHAERN COc1cccc(-c2nc(C)c(C(=O)N3CCC(Nc4nccs4)CC3)[nH]2)c1 ZINC000190411185 884078248 /nfs/dbraw/zinc/07/82/48/884078248.db2.gz RKMVOIMJWCQJLR-UHFFFAOYSA-N 0 0 397.504 3.567 10 0 GHAERN Cc1ccc(C2(C(=O)N3CCC(Nc4nccs4)CC3)CCOCC2)cc1 ZINC000190422287 884078657 /nfs/dbraw/zinc/07/86/57/884078657.db2.gz DQXCUCJRAFYAPM-UHFFFAOYSA-N 0 0 385.533 3.603 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000190614293 884103908 /nfs/dbraw/zinc/10/39/08/884103908.db2.gz UHNFHXVEPSAIIK-LBPRGKRZSA-N 0 0 398.207 3.808 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)CCO2)cn1 ZINC000191282129 884167214 /nfs/dbraw/zinc/16/72/14/884167214.db2.gz JEUYDTONZZQBGQ-RDJZCZTQSA-N 0 0 376.526 3.835 10 0 GHAERN C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccccc1SCc1cccs1 ZINC000191799969 884211424 /nfs/dbraw/zinc/21/14/24/884211424.db2.gz RIGDPTAZBSQXLX-AWEZNQCLSA-N 0 0 395.571 3.690 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000102718107 884344332 /nfs/dbraw/zinc/34/43/32/884344332.db2.gz QVCJJXQOIZLMCT-MRXNPFEDSA-N 0 0 381.929 3.580 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)c(C)o1 ZINC000101994653 884703278 /nfs/dbraw/zinc/70/32/78/884703278.db2.gz WFANJCAQWZEEMX-MRXNPFEDSA-N 0 0 379.460 3.667 10 0 GHAERN CC(C)(C)c1ccc(NC(=O)C[S@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711651 884840790 /nfs/dbraw/zinc/84/07/90/884840790.db2.gz IVNLDTWWRPNVJH-HHHXNRCGSA-N 0 0 387.461 3.515 10 0 GHAERN O=S(=O)(Cc1csc(-c2cccs2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105713401 884840924 /nfs/dbraw/zinc/84/09/24/884840924.db2.gz WZHWRRWUGXQVKQ-UHFFFAOYSA-N 0 0 393.471 3.630 10 0 GHAERN Cc1noc(CCNC(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC000105957067 884878727 /nfs/dbraw/zinc/87/87/27/884878727.db2.gz RUHACYCTZTXCPZ-GOSISDBHSA-N 0 0 389.427 3.849 10 0 GHAERN CN1CC[C@H](CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000193514735 884910174 /nfs/dbraw/zinc/91/01/74/884910174.db2.gz NZVDOLDUSXQPQZ-GOSISDBHSA-N 0 0 392.503 3.554 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1)c1ccccc1 ZINC000105987961 884940878 /nfs/dbraw/zinc/94/08/78/884940878.db2.gz NHNDOXZNTNLLCP-YSSFQJQWSA-N 0 0 394.471 3.705 10 0 GHAERN NC(=O)Cc1ccc(NC(=O)c2ccccc2SCc2cscn2)cc1 ZINC000106003920 884944621 /nfs/dbraw/zinc/94/46/21/884944621.db2.gz LTIZXRGVIDKWMO-UHFFFAOYSA-N 0 0 383.498 3.716 10 0 GHAERN O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000193582985 885736331 /nfs/dbraw/zinc/73/63/31/885736331.db2.gz YJULGMLTXZXMPB-LLVKDONJSA-N 0 0 386.805 3.900 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000102538382 885971634 /nfs/dbraw/zinc/97/16/34/885971634.db2.gz IBFNBSSHQPJWKS-UHFFFAOYSA-N 0 0 387.524 3.870 10 0 GHAERN O=C(NCc1ccccc1-n1cccn1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103181126 885987017 /nfs/dbraw/zinc/98/70/17/885987017.db2.gz IPKHOTZGRLWCRO-QFIPXVFZSA-N 0 0 383.455 3.856 10 0 GHAERN O=C(Cc1ccccc1C(F)(F)F)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000104337316 886002987 /nfs/dbraw/zinc/00/29/87/886002987.db2.gz QYLRYKRGLRXZMX-UHFFFAOYSA-N 0 0 396.453 3.935 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc2)[nH]1 ZINC000105095834 886011266 /nfs/dbraw/zinc/01/12/66/886011266.db2.gz GRAXDZPUCIAZKR-MRXNPFEDSA-N 0 0 389.381 3.721 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000106165762 886026973 /nfs/dbraw/zinc/02/69/73/886026973.db2.gz GKXXBNHWTLIDMV-UHFFFAOYSA-N 0 0 381.307 3.620 10 0 GHAERN CCn1cnnc1[C@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 ZINC000110752665 886208289 /nfs/dbraw/zinc/20/82/89/886208289.db2.gz OWVSKABIGNCPHM-HVHJFMEUSA-N 0 0 378.398 3.736 10 0 GHAERN COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1O ZINC000113444185 886294842 /nfs/dbraw/zinc/29/48/42/886294842.db2.gz OLYALBYZVWBQHD-MRXNPFEDSA-N 0 0 377.444 3.811 10 0 GHAERN CCN(c1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1)C(C)C ZINC000032350139 886318494 /nfs/dbraw/zinc/31/84/94/886318494.db2.gz FKSRGOUDRBPTOT-UHFFFAOYSA-N 0 0 398.507 3.709 10 0 GHAERN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](c4nccs4)C3)cn2)CC1 ZINC000114821931 886329205 /nfs/dbraw/zinc/32/92/05/886329205.db2.gz BAANEOSSIAKFFW-GOSISDBHSA-N 0 0 399.564 3.864 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000117668410 886389579 /nfs/dbraw/zinc/38/95/79/886389579.db2.gz CSUIESRHZBJPQE-AUUYWEPGSA-N 0 0 387.501 3.903 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)o1 ZINC000119113354 886427593 /nfs/dbraw/zinc/42/75/93/886427593.db2.gz MGWJPYCBRHCABR-ZDUSSCGKSA-N 0 0 395.253 3.575 10 0 GHAERN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000120783108 886532264 /nfs/dbraw/zinc/53/22/64/886532264.db2.gz ZZHUYKYAFPCEPI-KSSFIOAISA-N 0 0 391.512 3.667 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1ccccc1Br)CCC2 ZINC000332689320 886540236 /nfs/dbraw/zinc/54/02/36/886540236.db2.gz QGLZHRWZXIRQGS-ZIAGYGMSSA-N 0 0 391.313 3.892 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000121926071 886570604 /nfs/dbraw/zinc/57/06/04/886570604.db2.gz OTGRFWUHJDDIEF-UHFFFAOYSA-N 0 0 384.480 3.778 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000122541917 886592291 /nfs/dbraw/zinc/59/22/91/886592291.db2.gz UIASSRVIFVKKCZ-XLIONFOSSA-N 0 0 385.508 3.592 10 0 GHAERN CCCCOc1ccc(/C=C/C(=O)NCc2nnc3n2CCCC3)cc1OCC ZINC000041139477 886663544 /nfs/dbraw/zinc/66/35/44/886663544.db2.gz HZRDLZOQWXOZTG-ZRDIBKRKSA-N 0 0 398.507 3.522 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)s3)CC2)no1 ZINC000041864764 886727868 /nfs/dbraw/zinc/72/78/68/886727868.db2.gz SBGGJJIWPMKSHH-HWKANZROSA-N 0 0 379.869 3.588 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCCC[C@@H]2c2cccn2C)c2ccccc2F)no1 ZINC000124311867 886729363 /nfs/dbraw/zinc/72/93/63/886729363.db2.gz MECDQRQEZWFQLS-RTBURBONSA-N 0 0 397.454 3.882 10 0 GHAERN COc1cccc(-c2noc([C@@H](C)N[C@H](C)c3nc(-c4cccnc4)no3)n2)c1 ZINC000124341386 886733029 /nfs/dbraw/zinc/73/30/29/886733029.db2.gz FGMYZMRWDODVPJ-CHWSQXEVSA-N 0 0 392.419 3.602 10 0 GHAERN O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000043233300 886846473 /nfs/dbraw/zinc/84/64/73/886846473.db2.gz RKNQTLQOPXTTKA-LLVKDONJSA-N 0 0 375.354 3.558 10 0 GHAERN Cn1c(=O)c2ccsc2nc1SCc1noc(-c2ccccc2Cl)n1 ZINC000044092853 886923095 /nfs/dbraw/zinc/92/30/95/886923095.db2.gz SWAUIQAMUGKXOZ-UHFFFAOYSA-N 0 0 390.877 3.991 10 0 GHAERN O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ccnn2CCO)CC1 ZINC000126317215 886956911 /nfs/dbraw/zinc/95/69/11/886956911.db2.gz RHJHPBJQGKIIIY-UHFFFAOYSA-N 0 0 375.472 3.562 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(OC(C)C)cc3)CC2)no1 ZINC000044401951 886964633 /nfs/dbraw/zinc/96/46/33/886964633.db2.gz JOWKQNBLYDVCNQ-RMKNXTFCSA-N 0 0 397.475 3.661 10 0 GHAERN O=C(c1cnn2c1CCCC2)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000127454583 887062450 /nfs/dbraw/zinc/06/24/50/887062450.db2.gz DDEZZDMBNKILEF-QGZVFWFLSA-N 0 0 375.476 3.629 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3nnc(-c4ccccc4)o3)CCO2)o1 ZINC000127489920 887065751 /nfs/dbraw/zinc/06/57/51/887065751.db2.gz RULJQEVFINQHFT-GOSISDBHSA-N 0 0 381.432 3.561 10 0 GHAERN Cc1ccc(-n2cc(C(=O)N3CCC(n4cncn4)CC3)c(C(C)(C)C)n2)cc1 ZINC000128645409 887208350 /nfs/dbraw/zinc/20/83/50/887208350.db2.gz CDWXQOPVKSZHFH-UHFFFAOYSA-N 0 0 392.507 3.547 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000046874552 887241060 /nfs/dbraw/zinc/24/10/60/887241060.db2.gz XQXBJCSFYCBOGY-QGZVFWFLSA-N 0 0 377.492 3.596 10 0 GHAERN O=C(NCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cs1)c1ccccc1 ZINC000129110127 887260817 /nfs/dbraw/zinc/26/08/17/887260817.db2.gz YOFPHKIDGCBREL-MOPGFXCFSA-N 0 0 395.532 3.543 10 0 GHAERN O=C(NCCc1cccc(Cl)c1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000048017916 887400116 /nfs/dbraw/zinc/40/01/16/887400116.db2.gz OBCOJOOBXOEKLK-UHFFFAOYSA-N 0 0 391.943 3.753 10 0 GHAERN CCc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000049787086 887588276 /nfs/dbraw/zinc/58/82/76/887588276.db2.gz SKXUENPRGPYTSF-QFBILLFUSA-N 0 0 377.492 3.942 10 0 GHAERN COCCCOc1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000132328228 887644558 /nfs/dbraw/zinc/64/45/58/887644558.db2.gz SJTDOBFGPDSUGL-UHFFFAOYSA-N 0 0 389.521 3.954 10 0 GHAERN COC(=O)Nc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1F ZINC000133147992 887734242 /nfs/dbraw/zinc/73/42/42/887734242.db2.gz OFZMUCVQVPKIJT-UHFFFAOYSA-N 0 0 392.456 3.856 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)CCO2)o1 ZINC000133855340 887810284 /nfs/dbraw/zinc/81/02/84/887810284.db2.gz UCKFYEFWTUNUQZ-QGZVFWFLSA-N 0 0 398.440 3.654 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000134296050 887850058 /nfs/dbraw/zinc/85/00/58/887850058.db2.gz ISEASWXWXVNCEU-VQIMIIECSA-N 0 0 375.538 3.557 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 ZINC000105206639 887854102 /nfs/dbraw/zinc/85/41/02/887854102.db2.gz ZAHMKFIEFWENPH-UHFFFAOYSA-N 0 0 397.519 3.795 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000134647987 887896190 /nfs/dbraw/zinc/89/61/90/887896190.db2.gz MBVFJOAKLXNQCT-GOSISDBHSA-N 0 0 391.475 3.657 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000135134487 887946330 /nfs/dbraw/zinc/94/63/30/887946330.db2.gz KICUHMINNJIFNE-CRAIPNDOSA-N 0 0 387.501 3.507 10 0 GHAERN O=C(c1ccccc1)C1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 ZINC000055228115 888118442 /nfs/dbraw/zinc/11/84/42/888118442.db2.gz XACKYVCLZYPXRV-UHFFFAOYSA-N 0 0 390.483 3.544 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC(OCc2ccccc2)CC1 ZINC000053706374 888246271 /nfs/dbraw/zinc/24/62/71/888246271.db2.gz DTWZTAWCQAIRHA-UHFFFAOYSA-N 0 0 392.499 3.630 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000136448381 888295390 /nfs/dbraw/zinc/29/53/90/888295390.db2.gz MBXBCCCFZQZHSH-UCFODXPJSA-N 0 0 391.874 3.506 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC(Oc2ccccc2)CC1 ZINC000055764502 888332013 /nfs/dbraw/zinc/33/20/13/888332013.db2.gz QRKKYCDNKPDREL-IBGZPJMESA-N 0 0 382.485 3.560 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056622941 888371233 /nfs/dbraw/zinc/37/12/33/888371233.db2.gz YLSGMFYUGMFUMZ-OAQYLSRUSA-N 0 0 398.470 3.862 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1cccs1 ZINC000194082535 888555418 /nfs/dbraw/zinc/55/54/18/888555418.db2.gz KZPVUPCJFKLRAH-MRXNPFEDSA-N 0 0 380.473 3.720 10 0 GHAERN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000303157978 888666568 /nfs/dbraw/zinc/66/65/68/888666568.db2.gz DRODCRKBUKBYIA-OALUTQOASA-N 0 0 397.544 3.678 10 0 GHAERN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1NC(=O)CN1CCCCC1 ZINC000245559545 888942814 /nfs/dbraw/zinc/94/28/14/888942814.db2.gz IHSAEPSWUKAOGD-VLCRHTCISA-N 0 0 383.536 3.789 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699721 889276670 /nfs/dbraw/zinc/27/66/70/889276670.db2.gz MZXMGDDTZJRZJN-YLJYHZDGSA-N 0 0 395.532 3.526 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1NC(=O)c1ccccc1 ZINC000245764296 889667785 /nfs/dbraw/zinc/66/77/85/889667785.db2.gz FRMOXYHVLSNBQH-HMXCVIKNSA-N 0 0 390.483 3.935 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000246023743 890196677 /nfs/dbraw/zinc/19/66/77/890196677.db2.gz KPYNENZIWGNJTP-WDSOQIARSA-N 0 0 399.878 3.595 10 0 GHAERN C[C@@H]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1n1ccnc1 ZINC000246330469 891022376 /nfs/dbraw/zinc/02/23/76/891022376.db2.gz GCMWSONYBVTPHH-CSMYWGQOSA-N 0 0 382.291 3.723 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000066802813 891130710 /nfs/dbraw/zinc/13/07/10/891130710.db2.gz KYXHNPCISYVZDV-ZHACJKMWSA-N 0 0 396.882 3.629 10 0 GHAERN CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@H](c3nccs3)C2)CCCC1 ZINC000067048687 891140955 /nfs/dbraw/zinc/14/09/55/891140955.db2.gz KDTKNWHWJGVHBS-AWEZNQCLSA-N 0 0 379.526 3.687 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@@H](c3nccs3)C2)CC1 ZINC000067047073 891141110 /nfs/dbraw/zinc/14/11/10/891141110.db2.gz YZFDGVWMOSYXAT-MRXNPFEDSA-N 0 0 393.553 3.886 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000106031711 891216030 /nfs/dbraw/zinc/21/60/30/891216030.db2.gz DFOGUQXCDUPAKO-CALCHBBNSA-N 0 0 382.508 3.860 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1NC(=O)c1ccco1 ZINC000246815385 891310518 /nfs/dbraw/zinc/31/05/18/891310518.db2.gz PYJOLOIHZICWDI-PWIZWCRZSA-N 0 0 394.471 3.918 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247105673 891344451 /nfs/dbraw/zinc/34/44/51/891344451.db2.gz FMQPJXYDKYVIRF-XMSQKQJNSA-N 0 0 393.531 3.634 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1)C(C)C ZINC000246928042 891345775 /nfs/dbraw/zinc/34/57/75/891345775.db2.gz RZERDAIYBRLINY-PWRODBHTSA-N 0 0 399.535 3.913 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000247431976 891375798 /nfs/dbraw/zinc/37/57/98/891375798.db2.gz NUMFIHHXUUAXGJ-YSTOQKLRSA-N 0 0 392.927 3.753 10 0 GHAERN O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247650159 891389297 /nfs/dbraw/zinc/38/92/97/891389297.db2.gz WKMCVISTNZKMIY-GVDBMIGSSA-N 0 0 386.414 3.522 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247675268 891392375 /nfs/dbraw/zinc/39/23/75/891392375.db2.gz ZAFKOYMQNVYXGP-SXLOBPIMSA-N 0 0 385.508 3.747 10 0 GHAERN CC1(C)[C@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)[C@@H]2CCO[C@H]21 ZINC000248440886 891435882 /nfs/dbraw/zinc/43/58/82/891435882.db2.gz JWOMPSNKLXKVFH-DFQSSKMNSA-N 0 0 394.471 3.979 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c2ccc(F)cc2C1 ZINC000248642140 891449939 /nfs/dbraw/zinc/44/99/39/891449939.db2.gz MWDPDTJETHHCIG-BDTNDASRSA-N 0 0 380.463 3.847 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c2ccc(F)cc2C1 ZINC000248642142 891450458 /nfs/dbraw/zinc/45/04/58/891450458.db2.gz MWDPDTJETHHCIG-FSSWDIPSSA-N 0 0 380.463 3.847 10 0 GHAERN CC(C)N1CC[C@@H](NC(=O)CCc2ccncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248681114 891457056 /nfs/dbraw/zinc/45/70/56/891457056.db2.gz WLZAHSAYOMHIOV-UYAOXDASSA-N 0 0 390.890 3.542 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248702057 891459920 /nfs/dbraw/zinc/45/99/20/891459920.db2.gz FMSVCUCLWVTURP-CUOATXAZSA-N 0 0 387.224 3.806 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c2ccc(F)cc2C1 ZINC000248777209 891468097 /nfs/dbraw/zinc/46/80/97/891468097.db2.gz ZDZUIKAHBHWTDM-ITHTXLDVSA-N 0 0 375.488 3.743 10 0 GHAERN CN1CC[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210605 891501681 /nfs/dbraw/zinc/50/16/81/891501681.db2.gz AJDKFLWWWGECLE-UZLBHIALSA-N 0 0 391.462 3.745 10 0 GHAERN C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000249808550 891525091 /nfs/dbraw/zinc/52/50/91/891525091.db2.gz BWRTUHYZOKYMOV-NVXWUHKLSA-N 0 0 382.533 3.551 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000332967275 893386052 /nfs/dbraw/zinc/38/60/52/893386052.db2.gz PWBLCHTVIADKCU-MZTCLCMBSA-N 0 0 379.504 3.914 10 0 GHAERN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@H]3CCCn4ccnc43)CC2)cc1 ZINC000081585231 894654472 /nfs/dbraw/zinc/65/44/72/894654472.db2.gz RCBUYPDPCCQJJL-FQEVSTJZSA-N 0 0 380.536 3.843 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cnc3ccccc3c2O)CC1 ZINC000102379289 898007757 /nfs/dbraw/zinc/00/77/57/898007757.db2.gz JUWKDMBXORPJPB-UHFFFAOYSA-N 0 0 376.456 3.632 10 0 GHAERN CC[C@H](NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)c1nc(C)cs1 ZINC000104795633 898165565 /nfs/dbraw/zinc/16/55/65/898165565.db2.gz XJJZOHVGQYWISS-QAPCUYQASA-N 0 0 388.537 3.737 10 0 GHAERN CC[C@@H](NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)c1nc(C)cs1 ZINC000104795636 898165673 /nfs/dbraw/zinc/16/56/73/898165673.db2.gz XJJZOHVGQYWISS-CRAIPNDOSA-N 0 0 388.537 3.737 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)NCC1CCN(C(C)=O)CC1 ZINC000105313021 898206471 /nfs/dbraw/zinc/20/64/71/898206471.db2.gz IIDGTRPZBRJXIF-UHFFFAOYSA-N 0 0 379.932 3.910 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000333196027 900027741 /nfs/dbraw/zinc/02/77/41/900027741.db2.gz UDHLRLSICDJALX-UBDQQSCGSA-N 0 0 387.505 3.782 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1cccc(-n2ccnc2)c1 ZINC000333238368 900058703 /nfs/dbraw/zinc/05/87/03/900058703.db2.gz PNVPEZWFTRWGMR-UIFIKXQLSA-N 0 0 394.519 3.924 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC000333324498 902008268 /nfs/dbraw/zinc/00/82/68/902008268.db2.gz QJQCMVSOZHZGDT-UXHICEINSA-N 0 0 389.561 3.873 10 0 GHAERN O=C1CC2(CCCCC2)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)N1 ZINC000333812392 902343285 /nfs/dbraw/zinc/34/32/85/902343285.db2.gz GZPJSCLPOASFKT-UHFFFAOYSA-N 0 0 380.370 3.695 10 0 GHAERN O=S(=O)(c1cccc(N[C@H]2CCCC23CCCCC3)c1)N1CCC(O)CC1 ZINC000333864017 902380271 /nfs/dbraw/zinc/38/02/71/902380271.db2.gz SJFIELXYFQDORS-FQEVSTJZSA-N 0 0 392.565 3.747 10 0 GHAERN O=C(Nc1cccc2cc(Br)cnc21)N1CC[C@H](O)CC12CCC2 ZINC000333885033 902397843 /nfs/dbraw/zinc/39/78/43/902397843.db2.gz VPGQZPUJRTYBIU-AWEZNQCLSA-N 0 0 390.281 3.909 10 0 GHAERN CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000334070060 902538254 /nfs/dbraw/zinc/53/82/54/902538254.db2.gz GPHXKKUPCGSVHU-BQJWPVKWSA-N 0 0 392.462 3.723 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)s1)Nc1ccccc1 ZINC000181180226 906934130 /nfs/dbraw/zinc/93/41/30/906934130.db2.gz KVWRZXSOBUPDCA-AWEZNQCLSA-N 0 0 396.476 3.878 10 0 GHAERN O=C(Cc1cc(Cl)ccc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181390284 906989770 /nfs/dbraw/zinc/98/97/70/906989770.db2.gz OUUORBOYFILDFD-CYBMUJFWSA-N 0 0 383.677 3.517 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183077066 907324352 /nfs/dbraw/zinc/32/43/52/907324352.db2.gz IHFKZPAMVZACRK-SFHVURJKSA-N 0 0 387.484 3.505 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183774676 907455367 /nfs/dbraw/zinc/45/53/67/907455367.db2.gz JTVPQBZPIGDKAY-NSHDSACASA-N 0 0 386.200 3.605 10 0 GHAERN CCCCOC(=O)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103725830 907574730 /nfs/dbraw/zinc/57/47/30/907574730.db2.gz MLCMETAHYUXNQL-UHFFFAOYSA-N 0 0 399.838 3.525 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(C(=O)c3ccccc3)CC2)cs1 ZINC000187107758 908038474 /nfs/dbraw/zinc/03/84/74/908038474.db2.gz HAXKNEKVCYPQMY-IBGZPJMESA-N 0 0 383.517 3.667 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000189063516 908278059 /nfs/dbraw/zinc/27/80/59/908278059.db2.gz ZRBULVNGXBTXGM-RBUKOAKNSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N(C)C2CCCC2)C1 ZINC000189450461 908325839 /nfs/dbraw/zinc/32/58/39/908325839.db2.gz GSPQWAVYRAFWLF-QFBILLFUSA-N 0 0 399.495 3.751 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)N(Cc2ccco2)CC(F)(F)F)cs1 ZINC000189808921 908377429 /nfs/dbraw/zinc/37/74/29/908377429.db2.gz YRYFTCSWEVEHBL-HNNXBMFYSA-N 0 0 387.427 3.773 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)C1 ZINC000190030563 908408682 /nfs/dbraw/zinc/40/86/82/908408682.db2.gz JLVYYLXSBHERTJ-IDHHARJASA-N 0 0 386.496 3.745 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000190050535 908412839 /nfs/dbraw/zinc/41/28/39/908412839.db2.gz JXGUTCWFAMKMIS-ZBFHGGJFSA-N 0 0 395.912 3.892 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000190110975 908428185 /nfs/dbraw/zinc/42/81/85/908428185.db2.gz SAJCJHGXKWNTMD-UYAOXDASSA-N 0 0 392.459 3.963 10 0 GHAERN CCCCOc1ccc(NC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)c(C)c1 ZINC000190123417 908431306 /nfs/dbraw/zinc/43/13/06/908431306.db2.gz VKJQFTGZOBKHBV-AEFFLSMTSA-N 0 0 388.468 3.859 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3C[C@H](OC)C[C@@H]3c3nc(C)no3)cc21 ZINC000190130625 908434086 /nfs/dbraw/zinc/43/40/86/908434086.db2.gz QFEIPXKCNRXDIQ-SJLPKXTDSA-N 0 0 383.452 3.737 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000190129351 908434163 /nfs/dbraw/zinc/43/41/63/908434163.db2.gz XVSFBJRDRGLCFX-ZFWWWQNUSA-N 0 0 399.451 3.811 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000190132711 908434263 /nfs/dbraw/zinc/43/42/63/908434263.db2.gz ZUDMUKWTIXPWGG-OCCSQVGLSA-N 0 0 384.358 3.699 10 0 GHAERN CCc1c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1-c1ccccc1C ZINC000191627226 908652853 /nfs/dbraw/zinc/65/28/53/908652853.db2.gz KLRMNRLSJNTBDR-SFHVURJKSA-N 0 0 379.468 3.620 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000185251878 1014577000 /nfs/dbraw/zinc/57/70/00/1014577000.db2.gz CRNYHYFKBPIJBH-IBGZPJMESA-N 0 0 385.414 3.530 10 0 GHAERN COc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528337 1014585075 /nfs/dbraw/zinc/58/50/75/1014585075.db2.gz WUIGJZZFMBWGBV-YCRPNKLZSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2scnc2C(C)(C)C)c2ccc(F)cc2C1 ZINC000185529491 1014585532 /nfs/dbraw/zinc/58/55/32/1014585532.db2.gz GRXPWIQOBBRAFZ-MRXNPFEDSA-N 0 0 389.496 3.803 10 0 GHAERN CCO[C@@H](Cc1ccccc1)N1CCN(C[C@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000022859884 203832706 /nfs/dbraw/zinc/83/27/06/203832706.db2.gz BAAVGUJEGRPVRG-CVDCTZTESA-N 0 0 398.522 3.867 10 0 GHAERN CCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000003022897 203981783 /nfs/dbraw/zinc/98/17/83/203981783.db2.gz LOVGFQUQTVWGPW-UHFFFAOYSA-N 0 0 375.266 3.519 10 0 GHAERN CC[C@@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1 ZINC000004527418 204050686 /nfs/dbraw/zinc/05/06/86/204050686.db2.gz REZMLWWHDWXVQW-OAHLLOKOSA-N 0 0 387.499 3.657 10 0 GHAERN C[C@@H]1CCCC[C@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000004575608 204054906 /nfs/dbraw/zinc/05/49/06/204054906.db2.gz SJSJFFFPGAOERB-YBOAYWMSSA-N 0 0 379.460 3.579 10 0 GHAERN COc1ccc(C(=O)NCc2nnc(SC/C=C/c3ccccc3)o2)cc1 ZINC000004969348 204097227 /nfs/dbraw/zinc/09/72/27/204097227.db2.gz UYNFVKHUKBRLRL-VMPITWQZSA-N 0 0 381.457 3.814 10 0 GHAERN COCCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccccc1OC ZINC000006705244 204192735 /nfs/dbraw/zinc/19/27/35/204192735.db2.gz KQOZJVGDPSOJPP-IBGZPJMESA-N 0 0 380.488 3.862 10 0 GHAERN COc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)CC(C)C)c2)n1 ZINC000006776031 204203324 /nfs/dbraw/zinc/20/33/24/204203324.db2.gz ZAXYFLFQVAFTOW-UHFFFAOYSA-N 0 0 380.448 3.936 10 0 GHAERN COc1cc(-c2cc(-c3ccco3)nc3ncnc(N)c32)cc(OC)c1OC ZINC000009694581 204320763 /nfs/dbraw/zinc/32/07/63/204320763.db2.gz JKZYEWBOWHTUGW-UHFFFAOYSA-N 0 0 378.388 3.560 10 0 GHAERN O=C(C1CCC1)N(Cc1cccc(OC[C@@H]2CCOC2)c1)Cc1ccccn1 ZINC000011913309 204360183 /nfs/dbraw/zinc/36/01/83/204360183.db2.gz LIQAYXHXGNGNDU-LJQANCHMSA-N 0 0 380.488 3.826 10 0 GHAERN O=C(NC[C@@H]1Cc2cc(-c3cncnc3)ccc2O1)c1scc2c1CCCC2 ZINC000012040804 204369188 /nfs/dbraw/zinc/36/91/88/204369188.db2.gz GTPXHZRVOZURPY-SFHVURJKSA-N 0 0 391.496 3.817 10 0 GHAERN CCOC(=O)c1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000011034708 204341102 /nfs/dbraw/zinc/34/11/02/204341102.db2.gz MIPJYOSDZWUCDA-UHFFFAOYSA-N 0 0 377.238 3.676 10 0 GHAERN COc1ccc2nc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)sc2c1 ZINC000020372658 204713535 /nfs/dbraw/zinc/71/35/35/204713535.db2.gz HFZROODEKRAMLA-CYBMUJFWSA-N 0 0 381.457 3.605 10 0 GHAERN CCN(C)C(=O)[C@H]1CN(C(=O)CC(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042319 205002302 /nfs/dbraw/zinc/00/23/02/205002302.db2.gz VNHUWEWBAMGRHP-SJORKVTESA-N 0 0 384.442 3.772 10 0 GHAERN CC(C)(O)CN(Cc1ccccc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000036156633 205007565 /nfs/dbraw/zinc/00/75/65/205007565.db2.gz XPJZHZIFTLRSMR-UHFFFAOYSA-N 0 0 397.544 3.637 10 0 GHAERN C[C@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250244 205009786 /nfs/dbraw/zinc/00/97/86/205009786.db2.gz SRVIETLJXKJGAO-RXVVDRJESA-N 0 0 391.600 3.527 10 0 GHAERN O=C(C1CCCC1)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C1CC1 ZINC000036249416 205010128 /nfs/dbraw/zinc/01/01/28/205010128.db2.gz PMCZIUPTONCZRE-UHFFFAOYSA-N 0 0 395.503 3.859 10 0 GHAERN O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1nncs1 ZINC000040870709 205074423 /nfs/dbraw/zinc/07/44/23/205074423.db2.gz MYJVBBCFIQCBHJ-UHFFFAOYSA-N 0 0 390.262 3.985 10 0 GHAERN Cc1c(C(=O)NCCc2ccc(Cl)cc2)nnn1-c1ccc(Cl)cc1 ZINC000051318146 205131993 /nfs/dbraw/zinc/13/19/93/205131993.db2.gz RMWIXXIKRDAKSV-UHFFFAOYSA-N 0 0 375.259 3.855 10 0 GHAERN CC(=O)Nc1ccc(Cc2nc(-c3ccc4c(c3)[nH]c(=O)n4C(C)C)no2)cc1 ZINC000064891094 205199916 /nfs/dbraw/zinc/19/99/16/205199916.db2.gz RDCHYGYBAUZRGE-UHFFFAOYSA-N 0 0 391.431 3.510 10 0 GHAERN COc1ccccc1C(=O)N1CCC[C@H](c2noc(-c3ccccc3OC)n2)C1 ZINC000065149500 205213376 /nfs/dbraw/zinc/21/33/76/205213376.db2.gz SUMOLKFPNHTQGA-HNNXBMFYSA-N 0 0 393.443 3.774 10 0 GHAERN CCOc1ccccc1C(=O)N1CCc2nc(-c3ccc(OC)cc3)ncc2C1 ZINC000065168477 205215079 /nfs/dbraw/zinc/21/50/79/205215079.db2.gz HDUHYPBWOUWXDH-UHFFFAOYSA-N 0 0 389.455 3.749 10 0 GHAERN Cn1c(C[C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21 ZINC000065292517 205228377 /nfs/dbraw/zinc/22/83/77/205228377.db2.gz UFTATKYPGYUDDD-ZDUSSCGKSA-N 0 0 388.393 3.692 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)c2nc3ccccc3s2)C1 ZINC000095085532 205437126 /nfs/dbraw/zinc/43/71/26/205437126.db2.gz CDVFTKADLZEUIN-ZDUSSCGKSA-N 0 0 396.534 3.717 10 0 GHAERN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)C[C@](C)(O)[C@@H]21 ZINC000252428564 206138723 /nfs/dbraw/zinc/13/87/23/206138723.db2.gz MRAJWLXFXCCZEB-AERYXGCMSA-N 0 0 386.488 3.761 10 0 GHAERN CC(C)(C)OC(=O)N=c1[nH]c2ccc(I)nc2s1 ZINC000306282808 526496418 /nfs/dbraw/zinc/49/64/18/526496418.db2.gz ZZDMPKJEWJZLAL-UHFFFAOYSA-N 0 0 377.207 3.643 10 0 GHAERN CC1(C)O[C@@H]2Cc3ccccc3[C@@H]2N1C(=O)[C@H](Cc1ccccc1)C[C@H]1CO1 ZINC000021991772 570301167 /nfs/dbraw/zinc/30/11/67/570301167.db2.gz WLQFCUPIQRHKFS-KIZRIRGWSA-N 0 0 377.484 3.895 10 0 in-vitro GHAERN COc1ccc([C@H]2CCc3nc(C(=O)NC4CCCCC4)cn3C2)c(OC)c1 ZINC000034899148 570343336 /nfs/dbraw/zinc/34/33/36/570343336.db2.gz KVCVCPQOSGAASF-HNNXBMFYSA-N 0 0 383.492 3.693 10 0 GHAERN COc1cc(NC(=O)Cn2cc(-c3nnc(C)o3)c3ccccc32)cc(OC)c1 ZINC000035423095 570354700 /nfs/dbraw/zinc/35/47/00/570354700.db2.gz QBGUOIMUWQAAQD-UHFFFAOYSA-N 0 0 392.415 3.656 10 0 GHAERN CC(C)c1noc([C@H](Nc2cnc3cc(F)c(F)cc3n2)C2CCOCC2)n1 ZINC000275509525 570694932 /nfs/dbraw/zinc/69/49/32/570694932.db2.gz XEHZBOZCTNCYCB-QGZVFWFLSA-N 0 0 389.406 3.994 10 0 GHAERN CN(C)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccc(F)cc1 ZINC000014888364 570863934 /nfs/dbraw/zinc/86/39/34/570863934.db2.gz YGSRWDXWUYHOGM-MOPGFXCFSA-N 0 0 376.472 3.788 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1ccccn1)CC2 ZINC000548022542 570904666 /nfs/dbraw/zinc/90/46/66/570904666.db2.gz ZGPKKOOGRPIMLR-QGZVFWFLSA-N 0 0 384.505 3.578 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)CC(=O)N(c3ccccc3)C(C)C)n2)c1 ZINC000105689725 837582407 /nfs/dbraw/zinc/58/24/07/837582407.db2.gz AWFDWGFCEPIEMN-NDEPHWFRSA-N 0 0 397.500 3.735 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccnn3[C@H](C)C3CC3)C2)c1 ZINC000156618807 834475950 /nfs/dbraw/zinc/47/59/50/834475950.db2.gz ZYFOCFUIRZAGJO-ZBFHGGJFSA-N 0 0 384.480 3.893 10 0 GHAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1C ZINC000408399105 834813386 /nfs/dbraw/zinc/81/33/86/834813386.db2.gz FJJGAWAKGWBZTM-HNNXBMFYSA-N 0 0 381.929 3.529 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cc(Cl)sc1Cl)C2 ZINC000113299297 837813370 /nfs/dbraw/zinc/81/33/70/837813370.db2.gz AJBPBXQIIKNVGT-UHFFFAOYSA-N 0 0 394.349 3.659 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NCc3nc(C4CC4)cs3)C2)c1 ZINC000157298081 834843938 /nfs/dbraw/zinc/84/39/38/834843938.db2.gz QNLPYUHSISVJFW-CQSZACIVSA-N 0 0 387.505 3.737 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CCO2)c1 ZINC000112122166 835051097 /nfs/dbraw/zinc/05/10/97/835051097.db2.gz LABFJKQLVLCDQS-FQEVSTJZSA-N 0 0 388.471 3.696 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@]3(C)O)cc2NC1=O ZINC000285663886 835166331 /nfs/dbraw/zinc/16/63/31/835166331.db2.gz VBGNGJQLASBQBG-DNNRVTFUSA-N 0 0 388.533 3.665 10 0 GHAERN COC(=O)C[C@H](C)[S@](=O)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000158381681 835339839 /nfs/dbraw/zinc/33/98/39/835339839.db2.gz MFHBGPQTZJAZRO-FORDYWAESA-N 0 0 375.368 3.561 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3)C2)c1 ZINC000158564564 835437705 /nfs/dbraw/zinc/43/77/05/835437705.db2.gz UVJZABNBRWJZIA-GOSISDBHSA-N 0 0 398.898 3.959 10 0 GHAERN O=C(Nc1cccc(C2SCCS2)c1)N1CCC(n2cncn2)CC1 ZINC000101741352 835540997 /nfs/dbraw/zinc/54/09/97/835540997.db2.gz PXLJQIHZAARCRW-UHFFFAOYSA-N 0 0 375.523 3.626 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)sc1C ZINC000329663258 835561772 /nfs/dbraw/zinc/56/17/72/835561772.db2.gz PDESIGMZCZNTSS-RBUKOAKNSA-N 0 0 397.544 3.515 10 0 GHAERN CC(C)CCNC(=O)c1ccc2c(=O)[nH]c3c(-c4ccc(F)cc4)nnn3c2c1 ZINC000021867558 836161376 /nfs/dbraw/zinc/16/13/76/836161376.db2.gz UVUFOGDGZGGVEZ-UHFFFAOYSA-N 0 0 393.422 3.565 10 0 GHAERN O=C(NC1CCCCC1)NC1CCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101768146 836915292 /nfs/dbraw/zinc/91/52/92/836915292.db2.gz FTUXRVGRSIKCNX-NRFANRHFSA-N 0 0 398.551 3.870 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cc2NC1=O ZINC000103315400 837302769 /nfs/dbraw/zinc/30/27/69/837302769.db2.gz HJJOKVVPUXUFPM-VBKZILBWSA-N 0 0 388.427 3.712 10 0 GHAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCCC2(CCCCC2)C1 ZINC000114009740 838111799 /nfs/dbraw/zinc/11/17/99/838111799.db2.gz BGWNMMLJYJDEAI-UHFFFAOYSA-N 0 0 379.526 3.515 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)cc(C)c1F ZINC000407955475 838242528 /nfs/dbraw/zinc/24/25/28/838242528.db2.gz IJQCLMWBLPCYHR-SFHVURJKSA-N 0 0 391.512 3.581 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888790 838423023 /nfs/dbraw/zinc/42/30/23/838423023.db2.gz JTVDBOWMASUPNA-SFHVURJKSA-N 0 0 379.464 3.535 10 0 GHAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C2(CCC2)N1 ZINC000328743142 839724830 /nfs/dbraw/zinc/72/48/30/839724830.db2.gz NFGLSPGIJACSEF-INIZCTEOSA-N 0 0 378.881 3.813 10 0 GHAERN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)/C=C\c1ccncn1)OCCO3 ZINC000588393550 840403314 /nfs/dbraw/zinc/40/33/14/840403314.db2.gz YTYFUKMAVCNXSA-AWFCHZOYSA-N 0 0 391.471 3.676 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3OC3CCCCC3)CC2)n1 ZINC000119925893 840451182 /nfs/dbraw/zinc/45/11/82/840451182.db2.gz TUJDFKHRKKPOPF-MRXNPFEDSA-N 0 0 398.507 3.609 10 0 GHAERN Cc1nnc([C@H](C)NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)s1 ZINC000332727181 844548830 /nfs/dbraw/zinc/54/88/30/844548830.db2.gz GCIZICBGBUVRJU-YCELRVBUSA-N 0 0 392.322 3.690 10 0 GHAERN CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000110167880 840596861 /nfs/dbraw/zinc/59/68/61/840596861.db2.gz DYVNIYVNDHPLDR-UHFFFAOYSA-N 0 0 387.476 3.937 10 0 GHAERN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000140440588 840602991 /nfs/dbraw/zinc/60/29/91/840602991.db2.gz OUBDBSPZDPBIDX-FOIQADDNSA-N 0 0 389.496 3.515 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000332765077 844557530 /nfs/dbraw/zinc/55/75/30/844557530.db2.gz KVNFHHXIXRDKPA-PBHICJAKSA-N 0 0 396.443 3.794 10 0 GHAERN O=C(/C=C\c1ccncn1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000588403017 840889628 /nfs/dbraw/zinc/88/96/28/840889628.db2.gz OFIOFRGDASCWOD-UTCJRWHESA-N 0 0 379.441 3.556 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1 ZINC000119242119 840932642 /nfs/dbraw/zinc/93/26/42/840932642.db2.gz BOQAWLSIXPOUHL-ZTLYHTANSA-N 0 0 381.520 3.844 10 0 GHAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119640795 841158694 /nfs/dbraw/zinc/15/86/94/841158694.db2.gz BPKXMYZHEHXZCH-FZKQIMNGSA-N 0 0 377.282 3.698 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](c3ccccc3C)C3CC3)C2)nn1 ZINC000332895522 844628720 /nfs/dbraw/zinc/62/87/20/844628720.db2.gz ZSBYZOWBOYAJSQ-WIYYLYMNSA-N 0 0 379.508 3.513 10 0 GHAERN CCOc1cc(/C=C\C(=O)NCc2ccccc2-n2ccc(C)n2)ccc1O ZINC000588413027 841416506 /nfs/dbraw/zinc/41/65/06/841416506.db2.gz DAWOSKWTFRGKHJ-LUAWRHEFSA-N 0 0 377.444 3.615 10 0 GHAERN O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408168342 841667867 /nfs/dbraw/zinc/66/78/67/841667867.db2.gz GCMNKXFOMITDRX-ZACQAIPSSA-N 0 0 381.314 3.674 10 0 GHAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 ZINC000408171095 841699601 /nfs/dbraw/zinc/69/96/01/841699601.db2.gz GWLKMEWNIOEJFU-RRFJBIMHSA-N 0 0 389.521 3.539 10 0 GHAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1 ZINC000408172663 841713919 /nfs/dbraw/zinc/71/39/19/841713919.db2.gz ZAHCXGZEDHEFLE-CRAIPNDOSA-N 0 0 383.492 3.675 10 0 GHAERN C/C=C\c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(C)c2)c(OC)c1 ZINC000588423951 841992911 /nfs/dbraw/zinc/99/29/11/841992911.db2.gz YFZSZOQHPXIOHL-PLNGDYQASA-N 0 0 396.487 3.891 10 0 GHAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153200867 842271510 /nfs/dbraw/zinc/27/15/10/842271510.db2.gz TVPPWAWCFKDAGZ-KSFYIVLOSA-N 0 0 395.551 3.503 10 0 GHAERN Cc1ccc(-c2nc(C)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)s2)o1 ZINC000588434004 842440248 /nfs/dbraw/zinc/44/02/48/842440248.db2.gz PUDPIYDVNOTWAO-SREVYHEPSA-N 0 0 391.493 3.831 10 0 GHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000408328628 842512979 /nfs/dbraw/zinc/51/29/79/842512979.db2.gz BOTKYRMNWICCOM-ILXRZTDVSA-N 0 0 391.478 3.690 10 0 GHAERN COc1ccc(COc2cccc(F)c2)cc1NC(=O)/C=C\c1ccncn1 ZINC000588437736 842714989 /nfs/dbraw/zinc/71/49/89/842714989.db2.gz GPILZOIQDHHGGZ-VURMDHGXSA-N 0 0 379.391 3.855 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N2CCOc3ccc(F)cc3C2)C[C@H](C)O1 ZINC000408359798 842799047 /nfs/dbraw/zinc/79/90/47/842799047.db2.gz WUAVDMYXTVYBMF-IYBDPMFKSA-N 0 0 399.466 3.866 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000162692310 842841634 /nfs/dbraw/zinc/84/16/34/842841634.db2.gz JBZZDIVFLPUTBD-XOBRGWDASA-N 0 0 381.476 3.590 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000162692439 842842949 /nfs/dbraw/zinc/84/29/49/842842949.db2.gz JBZZDIVFLPUTBD-JLTOFOAXSA-N 0 0 381.476 3.590 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)CCO2)o1 ZINC000162694242 842847880 /nfs/dbraw/zinc/84/78/80/842847880.db2.gz PUWSLCWHSQUEOC-CUWPLCDZSA-N 0 0 384.476 3.839 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000122571736 843125456 /nfs/dbraw/zinc/12/54/56/843125456.db2.gz MFOBIJDAVQJYJW-YLSHDAJPSA-N 0 0 382.504 3.847 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329412390 861387618 /nfs/dbraw/zinc/38/76/18/861387618.db2.gz CITLUIJWYWGQFF-DZIWXPPMSA-N 0 0 382.460 3.504 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1 ZINC000330263689 843180919 /nfs/dbraw/zinc/18/09/19/843180919.db2.gz WWPHZSCGFOBPEM-UZLBHIALSA-N 0 0 384.501 3.526 10 0 GHAERN CCN(CC)c1nc2sc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2s1 ZINC000328958763 843203104 /nfs/dbraw/zinc/20/31/04/843203104.db2.gz OPGSWZRXZMSWIA-CYBMUJFWSA-N 0 0 389.550 3.915 10 0 GHAERN COc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1NC(C)=O ZINC000162594735 843281990 /nfs/dbraw/zinc/28/19/90/843281990.db2.gz NLVBUTSOAWZYCZ-ZUOKHONESA-N 0 0 379.464 3.520 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000588453481 843324025 /nfs/dbraw/zinc/32/40/25/843324025.db2.gz IKXDCKITKLFYEI-HJWRWDBZSA-N 0 0 380.839 3.548 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000588453560 843324809 /nfs/dbraw/zinc/32/48/09/843324809.db2.gz GAZHLCJQEPJUFF-HJWRWDBZSA-N 0 0 375.394 3.771 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC(C)(C)COc1ncccc1C(F)(F)F ZINC000588453589 843325010 /nfs/dbraw/zinc/32/50/10/843325010.db2.gz SNKWJDKNWYHHJQ-HJWRWDBZSA-N 0 0 379.382 3.791 10 0 GHAERN COc1cc2[nH]c(CCCNC(=O)/C=C\c3ncccc3C)cc2c(OC)c1 ZINC000588453916 843331942 /nfs/dbraw/zinc/33/19/42/843331942.db2.gz ZPAIPVIBWDZNIX-HJWRWDBZSA-N 0 0 379.460 3.651 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000588454793 843340128 /nfs/dbraw/zinc/34/01/28/843340128.db2.gz TZUBSXXVJWFCFI-SEYXRHQNSA-N 0 0 393.468 3.843 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)n1 ZINC000112283889 843351279 /nfs/dbraw/zinc/35/12/79/843351279.db2.gz JKYHLNIQVZUHAS-ZWKOTPCHSA-N 0 0 389.565 3.586 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(Cl)c3cccnc23)CC1 ZINC000112306885 843351741 /nfs/dbraw/zinc/35/17/41/843351741.db2.gz SSGPOJGYOVXAIR-UHFFFAOYSA-N 0 0 399.903 3.938 10 0 GHAERN CC1(C)CCCC[C@H]1CC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000121676840 843481934 /nfs/dbraw/zinc/48/19/34/843481934.db2.gz FYMAJBAUCWYQBS-INIZCTEOSA-N 0 0 378.538 3.549 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121943883 843533208 /nfs/dbraw/zinc/53/32/08/843533208.db2.gz ZGLLORHVPGVKSM-HWPZZCPQSA-N 0 0 389.240 3.886 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000408250741 843593745 /nfs/dbraw/zinc/59/37/45/843593745.db2.gz QRFADIMDGOOYAX-QGHHPUGFSA-N 0 0 388.270 3.505 10 0 GHAERN CC1(C)CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)CCS1 ZINC000408269612 843681600 /nfs/dbraw/zinc/68/16/00/843681600.db2.gz DJSYSGWIORCTEZ-GOSISDBHSA-N 0 0 398.528 3.591 10 0 GHAERN CCN(CC)C(=O)N1CCC(c2nc(CO[C@H]3CCCC[C@H]3C)no2)CC1 ZINC000329451509 861457037 /nfs/dbraw/zinc/45/70/37/861457037.db2.gz CSYRVIYEKPXSAQ-WBVHZDCISA-N 0 0 378.517 3.806 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3ccccc3)C(C)(C)C)C2)nn1 ZINC000332905655 844639589 /nfs/dbraw/zinc/63/95/89/844639589.db2.gz VUAVDHIQIVHIHR-UYAOXDASSA-N 0 0 381.524 3.840 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2 ZINC000332963763 844958506 /nfs/dbraw/zinc/95/85/06/844958506.db2.gz YJKXDXPHTPXCHV-MISYRCLQSA-N 0 0 388.556 3.701 10 0 GHAERN O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332968400 845098066 /nfs/dbraw/zinc/09/80/66/845098066.db2.gz YVPAPWKEXALMQT-BJZITVGISA-N 0 0 393.325 3.773 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000151576153 845255547 /nfs/dbraw/zinc/25/55/47/845255547.db2.gz ADFPOSFIOSSDOI-QAPCUYQASA-N 0 0 381.476 3.807 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(CN2CCCC2=O)c1 ZINC000051870238 845443979 /nfs/dbraw/zinc/44/39/79/845443979.db2.gz DZHCCEAHHOHBBM-QHCPKHFHSA-N 0 0 385.467 3.723 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000248949530 845479159 /nfs/dbraw/zinc/47/91/59/845479159.db2.gz JVCFURPDJMQGRV-CSMYWGQOSA-N 0 0 377.872 3.589 10 0 GHAERN CCCCOc1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OC ZINC000248981980 845485058 /nfs/dbraw/zinc/48/50/58/845485058.db2.gz SUQRCCGLYLUFTB-IRXDYDNUSA-N 0 0 375.469 3.528 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000333523699 845708280 /nfs/dbraw/zinc/70/82/80/845708280.db2.gz WOQMFJIYWNJTTQ-QRWLVFNGSA-N 0 0 386.492 3.510 10 0 GHAERN CCOc1c(Cl)cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000151789348 845727514 /nfs/dbraw/zinc/72/75/14/845727514.db2.gz MQLAPUOIPAXCMS-QGZVFWFLSA-N 0 0 379.840 3.862 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CCO2)n1 ZINC000246625573 846360573 /nfs/dbraw/zinc/36/05/73/846360573.db2.gz QZLITLBSNVFOFC-YWMUFLPLSA-N 0 0 382.508 3.549 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000152206485 846389528 /nfs/dbraw/zinc/38/95/28/846389528.db2.gz ZLUAXWFSEKDJNR-IRXDYDNUSA-N 0 0 389.521 3.608 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000152206370 846389734 /nfs/dbraw/zinc/38/97/34/846389734.db2.gz ZLUAXWFSEKDJNR-DLBZAZTESA-N 0 0 389.521 3.608 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1F)N1CCC(Oc2ccccc2)CC1 ZINC000152241117 846488856 /nfs/dbraw/zinc/48/88/56/846488856.db2.gz XYPKKLFZZLFHEX-UHFFFAOYSA-N 0 0 382.435 3.636 10 0 GHAERN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000333608933 846591478 /nfs/dbraw/zinc/59/14/78/846591478.db2.gz ZURIPKCQTQFVLA-HPFXQQBRSA-N 0 0 383.517 3.650 10 0 GHAERN O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333611666 846721948 /nfs/dbraw/zinc/72/19/48/846721948.db2.gz SBJZIAOUDCBOQA-WMZHIEFXSA-N 0 0 375.472 3.997 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)C1(c2cccc(F)c2)CCCCC1 ZINC000118671598 847033582 /nfs/dbraw/zinc/03/35/82/847033582.db2.gz AQEFYIPJFAMJOG-IBGZPJMESA-N 0 0 382.483 3.603 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000588525276 847413615 /nfs/dbraw/zinc/41/36/15/847413615.db2.gz COELCGJZEWMAFF-UUSYTGMJSA-N 0 0 378.259 3.639 10 0 GHAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)/C=C\c2ccccc2Cl)CC1 ZINC000588538208 848017815 /nfs/dbraw/zinc/01/78/15/848017815.db2.gz HPYKLXDWVQIMSH-KHPPLWFESA-N 0 0 397.906 3.656 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c2ccccc21 ZINC000329637584 861858443 /nfs/dbraw/zinc/85/84/43/861858443.db2.gz AJQNPKCDXOLMNE-YLJYHZDGSA-N 0 0 396.491 3.752 10 0 GHAERN O=C(/C=C\c1ccc[nH]1)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000588547760 848412295 /nfs/dbraw/zinc/41/22/95/848412295.db2.gz XHTDTQBPVMIJJQ-FPLPWBNLSA-N 0 0 375.266 3.613 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)CCO2)o1 ZINC000153431902 848489927 /nfs/dbraw/zinc/48/99/27/848489927.db2.gz LCJMHHFUOIFWAS-IBGZPJMESA-N 0 0 397.475 3.738 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000153451697 848509433 /nfs/dbraw/zinc/50/94/33/848509433.db2.gz JZIFSWADUYELFX-BQHJZSHBSA-N 0 0 384.432 3.770 10 0 GHAERN CS(=O)(=O)c1csc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000154939032 849409901 /nfs/dbraw/zinc/40/99/01/849409901.db2.gz QLADOEXDTTYNCC-UHFFFAOYSA-N 0 0 387.482 3.610 10 0 GHAERN O=C(Nc1nccs1)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000044454649 849514547 /nfs/dbraw/zinc/51/45/47/849514547.db2.gz BBMFIBFHUKEHRM-UHFFFAOYSA-N 0 0 398.513 3.758 10 0 GHAERN COc1cc(/C=C/C(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)ccc1F ZINC000155464544 849523200 /nfs/dbraw/zinc/52/32/00/849523200.db2.gz SCICEIDIISIDDI-RQMBKDMJSA-N 0 0 393.418 3.865 10 0 GHAERN COc1ccc2nc(NC(=O)N3CCC(Cc4nccn4C)CC3)sc2c1 ZINC000156364153 849885115 /nfs/dbraw/zinc/88/51/15/849885115.db2.gz PZWKLUWUSCALQR-UHFFFAOYSA-N 0 0 385.493 3.525 10 0 GHAERN Cc1cccc(F)c1-n1nc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2c1CCC2 ZINC000333754637 850077696 /nfs/dbraw/zinc/07/76/96/850077696.db2.gz OCMFPUGTVMTREZ-QMHKHESXSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@H](Nc1nc2ccccc2nc1N1CCCCC1)c1nnc2n1CCCC2 ZINC000329700880 862153937 /nfs/dbraw/zinc/15/39/37/862153937.db2.gz HDFGHLUXEVKECY-HNNXBMFYSA-N 0 0 377.496 3.721 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1nc(C2CCCCC2)no1 ZINC000119657860 851364882 /nfs/dbraw/zinc/36/48/82/851364882.db2.gz KSNSWJFXZVDQEE-YYFZDKIDSA-N 0 0 376.501 3.515 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)no1 ZINC000170885586 851586084 /nfs/dbraw/zinc/58/60/84/851586084.db2.gz YEKRLKFVRKTQJL-RDJZCZTQSA-N 0 0 382.508 3.982 10 0 GHAERN CCOc1ccc(-c2nc(CN3c4ccccc4C[C@H]3C(N)=O)cs2)cc1 ZINC000101547642 851670322 /nfs/dbraw/zinc/67/03/22/851670322.db2.gz SKKFXEDHGKGXJP-IBGZPJMESA-N 0 0 379.485 3.625 10 0 GHAERN O=C(NCc1ccc(F)c(Cl)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000101623467 851743758 /nfs/dbraw/zinc/74/37/58/851743758.db2.gz YHQYLYRLFJFWON-UHFFFAOYSA-N 0 0 387.846 3.611 10 0 GHAERN C[C@@H](NC(=O)NCCCN1CCCC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000101616904 851755778 /nfs/dbraw/zinc/75/57/78/851755778.db2.gz DSTROGGFAJPBHJ-QGZVFWFLSA-N 0 0 381.476 3.852 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c2ccccc2O1 ZINC000121658606 851893458 /nfs/dbraw/zinc/89/34/58/851893458.db2.gz JDEBMMJYTPDHFB-PZJWPPBQSA-N 0 0 398.478 3.618 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3c2cccc3Br)cn1 ZINC000171370326 852625287 /nfs/dbraw/zinc/62/52/87/852625287.db2.gz SWKQOMCJTWKOQX-SJORKVTESA-N 0 0 389.297 3.717 10 0 GHAERN O=C(c1nn(-c2cccc(F)c2)c2c1CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333704244 852760846 /nfs/dbraw/zinc/76/08/46/852760846.db2.gz HNKLRUNBMVLYKK-WAIKUNEKSA-N 0 0 397.494 3.657 10 0 GHAERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000334072901 853905453 /nfs/dbraw/zinc/90/54/53/853905453.db2.gz IDPDIUMPMCPXGZ-QLFBSQMISA-N 0 0 376.482 3.596 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@H](c3cccs3)C1)C2 ZINC000334090577 854036627 /nfs/dbraw/zinc/03/66/27/854036627.db2.gz NXQSRSPAGQZVIS-PBHICJAKSA-N 0 0 388.537 3.593 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000330065274 862546865 /nfs/dbraw/zinc/54/68/65/862546865.db2.gz RVRLLEDJRGXSLT-FXAWDEMLSA-N 0 0 388.414 3.507 10 0 GHAERN CSc1ccc(Cl)cc1NC(=O)N1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000171891894 854265187 /nfs/dbraw/zinc/26/51/87/854265187.db2.gz SWYGIYFAOGDWMR-OAHLLOKOSA-N 0 0 394.928 3.808 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)n1 ZINC000328822121 854551086 /nfs/dbraw/zinc/55/10/86/854551086.db2.gz FZZAFHSNPWUPJH-RDJZCZTQSA-N 0 0 399.516 3.709 10 0 GHAERN C[C@@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125655390 854735044 /nfs/dbraw/zinc/73/50/44/854735044.db2.gz VPNHTGPXTSCPRK-CYBMUJFWSA-N 0 0 384.517 3.806 10 0 GHAERN Brc1cccc([C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 ZINC000105608781 855125154 /nfs/dbraw/zinc/12/51/54/855125154.db2.gz KCBCRGGDFQMKSM-OAHLLOKOSA-N 0 0 390.237 3.666 10 0 GHAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000330197198 862654340 /nfs/dbraw/zinc/65/43/40/862654340.db2.gz RMGFGDWJPMLEAY-RDJZCZTQSA-N 0 0 392.521 3.513 10 0 GHAERN CC[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1cccc(S(N)(=O)=O)c1 ZINC000104903158 856444985 /nfs/dbraw/zinc/44/49/85/856444985.db2.gz GDLHCCVDVMUJCU-OAHLLOKOSA-N 0 0 392.864 3.615 10 0 GHAERN C[C@@H](C(=O)NC1CCC(C)CC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692172 856955570 /nfs/dbraw/zinc/95/55/70/856955570.db2.gz BOHOQIZBOUAEAL-CKUSBPIWSA-N 0 0 392.384 3.843 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000068360952 857376030 /nfs/dbraw/zinc/37/60/30/857376030.db2.gz FQTVJNBNYWBSBZ-OAHLLOKOSA-N 0 0 392.908 3.575 10 0 GHAERN Cc1ccc2ncc(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)c(=O)n2c1 ZINC000129761842 857705374 /nfs/dbraw/zinc/70/53/74/857705374.db2.gz GRXZFHKPVJXSRO-SFHVURJKSA-N 0 0 389.455 3.569 10 0 GHAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000066066977 857901335 /nfs/dbraw/zinc/90/13/35/857901335.db2.gz DDJVITBIDTWPNN-MRXNPFEDSA-N 0 0 392.927 3.749 10 0 GHAERN Cc1cccc(-c2noc(CN3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920614 860064690 /nfs/dbraw/zinc/06/46/90/860064690.db2.gz BMFMSPLPZTXNIG-SFHVURJKSA-N 0 0 395.438 3.580 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c12 ZINC000171349672 860424707 /nfs/dbraw/zinc/42/47/07/860424707.db2.gz RQTZTCWMZPPAGR-GOSISDBHSA-N 0 0 379.464 3.764 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000252353374 860431876 /nfs/dbraw/zinc/43/18/76/860431876.db2.gz WVMNZTBAUWQJFM-JKSUJKDBSA-N 0 0 390.915 3.826 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000172605962 860434975 /nfs/dbraw/zinc/43/49/75/860434975.db2.gz GLJVBZCDIGWUGB-DLBZAZTESA-N 0 0 387.915 3.916 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)C2)n1 ZINC000173063190 860435952 /nfs/dbraw/zinc/43/59/52/860435952.db2.gz HEPYORCVSPEATA-AWEZNQCLSA-N 0 0 392.908 3.825 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)C2)n1 ZINC000173064447 860436054 /nfs/dbraw/zinc/43/60/54/860436054.db2.gz YZEXUXKTCNZYPE-RTBURBONSA-N 0 0 397.544 3.515 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N(C)CCOc3ccc(C)cc3)C2)c1 ZINC000102464213 860694337 /nfs/dbraw/zinc/69/43/37/860694337.db2.gz WUMYLYROXWKHLN-LJQANCHMSA-N 0 0 397.519 3.550 10 0 GHAERN CCOc1ccc(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1F ZINC000102532268 860754918 /nfs/dbraw/zinc/75/49/18/860754918.db2.gz GUENVVRDFBUDJW-OAHLLOKOSA-N 0 0 387.455 3.881 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000173095616 860802644 /nfs/dbraw/zinc/80/26/44/860802644.db2.gz OZOKXFVEDMMJCX-SFHVURJKSA-N 0 0 391.475 3.942 10 0 GHAERN CC1(C)CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000102919133 860903024 /nfs/dbraw/zinc/90/30/24/860903024.db2.gz ZSKLODDQMZYPIZ-UHFFFAOYSA-N 0 0 376.453 3.641 10 0 GHAERN CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000102979378 860928520 /nfs/dbraw/zinc/92/85/20/860928520.db2.gz MTKJKIWTEVXWJU-CQSZACIVSA-N 0 0 383.423 3.910 10 0 GHAERN O=C1[C@@H](N2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058027 860981862 /nfs/dbraw/zinc/98/18/62/860981862.db2.gz TXAOTHNPTAPWHI-PBHICJAKSA-N 0 0 386.883 3.585 10 0 GHAERN O=C([C@@H]1CCCN1c1nccs1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000329220987 861162149 /nfs/dbraw/zinc/16/21/49/861162149.db2.gz BRPDHBJBQMTZJT-ZWKOTPCHSA-N 0 0 396.516 3.736 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2)n1 ZINC000103273086 863936915 /nfs/dbraw/zinc/93/69/15/863936915.db2.gz OLVKKVYGTWDDHZ-UHFFFAOYSA-N 0 0 399.454 3.963 10 0 GHAERN Cc1cc(C)c(NC(=O)CNC(=O)NCCc2c[nH]c3cccc(C)c23)c(C)c1 ZINC000103298366 863944890 /nfs/dbraw/zinc/94/48/90/863944890.db2.gz OOBXGFWZZFNKNS-UHFFFAOYSA-N 0 0 392.503 3.882 10 0 GHAERN Cc1ccc2cccc(NC(=O)C(=O)NCCc3c[nH]c4cccc(C)c34)c2n1 ZINC000103326117 863964045 /nfs/dbraw/zinc/96/40/45/863964045.db2.gz HRDSJJAOWHEPNG-UHFFFAOYSA-N 0 0 386.455 3.630 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCCc2ccc(NC(C)=O)cc2)cc1C ZINC000103619040 864032574 /nfs/dbraw/zinc/03/25/74/864032574.db2.gz UXWCURBNCYRNMH-UHFFFAOYSA-N 0 0 383.492 3.655 10 0 GHAERN Cc1cc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)ccc1Br ZINC000103726980 864072195 /nfs/dbraw/zinc/07/21/95/864072195.db2.gz BIELKUDICZPDSE-UHFFFAOYSA-N 0 0 392.644 3.639 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000104460161 864326591 /nfs/dbraw/zinc/32/65/91/864326591.db2.gz JVFAQWGFHNCAHP-UHFFFAOYSA-N 0 0 384.867 3.552 10 0 GHAERN O=C(Cn1cnc2ccccc2c1=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104462631 864327706 /nfs/dbraw/zinc/32/77/06/864327706.db2.gz VNANTMMVPTZRIC-HXUWFJFHSA-N 0 0 381.863 3.708 10 0 GHAERN O[C@@]12CCCC[C@H]1CN(Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215273 864955804 /nfs/dbraw/zinc/95/58/04/864955804.db2.gz ZNKOCAKTKRILIF-MEDUHNTESA-N 0 0 398.326 3.688 10 0 GHAERN Cc1nc(-c2cccnc2)nc(N2CCCN(C(=O)c3cccs3)CC2)c1C ZINC000301386570 865328430 /nfs/dbraw/zinc/32/84/30/865328430.db2.gz CUKZUVZBIHSWOS-UHFFFAOYSA-N 0 0 393.516 3.569 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000155173263 865412409 /nfs/dbraw/zinc/41/24/09/865412409.db2.gz RGAVLDRUXHHROT-RDTXWAMCSA-N 0 0 385.430 3.930 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000105027196 866477483 /nfs/dbraw/zinc/47/74/83/866477483.db2.gz GQCCETLFNGJLPJ-UHFFFAOYSA-N 0 0 395.503 3.946 10 0 GHAERN C[C@@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)ncn2)C1 ZINC000110212029 866612203 /nfs/dbraw/zinc/61/22/03/866612203.db2.gz AVDBDNPRYCVJCD-MRXNPFEDSA-N 0 0 397.498 3.569 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@@H](c5nccs5)C4)cc3c2C1 ZINC000110874546 866661753 /nfs/dbraw/zinc/66/17/53/866661753.db2.gz JUNDMHUZQCCXIR-BFUOFWGJSA-N 0 0 381.501 3.963 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H](C)c1ccc3ccccc3c1)CC2 ZINC000249461124 866681456 /nfs/dbraw/zinc/68/14/56/866681456.db2.gz QXRZNYZWKVWYGG-TYCQWZJGSA-N 0 0 382.504 3.862 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)CCO2)n1 ZINC000111716581 866698792 /nfs/dbraw/zinc/69/87/92/866698792.db2.gz ZTOKGXPEMRXTJH-INIZCTEOSA-N 0 0 396.413 3.760 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)[C@@H](C)CC)C3)C2)n1 ZINC000113205300 866751821 /nfs/dbraw/zinc/75/18/21/866751821.db2.gz HCZVYRZCILFXEZ-BBWFWOEESA-N 0 0 391.581 3.696 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c2ccccc2O1 ZINC000163266911 882054080 /nfs/dbraw/zinc/05/40/80/882054080.db2.gz ANRKCERRSBDSKX-DOTOQJQBSA-N 0 0 395.507 3.874 10 0 GHAERN CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2cnn(C(C)C)c2n1 ZINC000151410579 867446419 /nfs/dbraw/zinc/44/64/19/867446419.db2.gz WVXMHQULRGKJSP-OPAMFIHVSA-N 0 0 384.524 3.903 10 0 GHAERN O=C(Nc1ccc2scnc2c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000171372632 882102675 /nfs/dbraw/zinc/10/26/75/882102675.db2.gz HOBVKVGCHVXICB-ZDUSSCGKSA-N 0 0 378.461 3.751 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)Nc1nc2c(s1)COCC2 ZINC000171019324 882107096 /nfs/dbraw/zinc/10/70/96/882107096.db2.gz BRZZKZOTOZPAED-VMPITWQZSA-N 0 0 393.468 3.842 10 0 GHAERN C[C@H]1c2ccccc2CCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171507627 882137936 /nfs/dbraw/zinc/13/79/36/882137936.db2.gz CQENGOBIDDWFQL-INIZCTEOSA-N 0 0 380.463 3.824 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc3cnn(C(C)C)c3c2)c2ccccc2)[nH]1 ZINC000171753108 882158987 /nfs/dbraw/zinc/15/89/87/882158987.db2.gz XRENKUJDQAWYRY-IBGZPJMESA-N 0 0 389.463 3.955 10 0 GHAERN O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000171774867 882160401 /nfs/dbraw/zinc/16/04/01/882160401.db2.gz GHJOOWWVAJQLDM-QGZVFWFLSA-N 0 0 386.459 3.932 10 0 GHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1N1CCCS1(=O)=O ZINC000248449584 869105346 /nfs/dbraw/zinc/10/53/46/869105346.db2.gz XTXMJBJPODGIEV-CGTJXYLNSA-N 0 0 391.537 3.577 10 0 GHAERN O=C(NCCOC1CCCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172385180 882272549 /nfs/dbraw/zinc/27/25/49/882272549.db2.gz YHEBSDMSMDVQKS-UHFFFAOYSA-N 0 0 390.499 3.534 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3csc(-c4cnccn4)n3)C2)cc1 ZINC000172440121 882276667 /nfs/dbraw/zinc/27/66/67/882276667.db2.gz SNWHEFIACIONMB-ZFWWWQNUSA-N 0 0 380.473 3.627 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NC[C@@H](CCO)c3ccccc3)C2)cc1 ZINC000172638070 882281640 /nfs/dbraw/zinc/28/16/40/882281640.db2.gz ORQMTGQVNZTTSV-IOMROCGXSA-N 0 0 382.504 3.749 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000172635573 882281649 /nfs/dbraw/zinc/28/16/49/882281649.db2.gz OQOYPPNXYTXWSU-LJQANCHMSA-N 0 0 393.487 3.883 10 0 GHAERN C[C@@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535772 882294138 /nfs/dbraw/zinc/29/41/38/882294138.db2.gz ZIFIEACTJXXHEM-LBPRGKRZSA-N 0 0 384.823 3.548 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1NC(=O)C(C)(C)C ZINC000172495909 882289837 /nfs/dbraw/zinc/28/98/37/882289837.db2.gz JZFHXGOYBZJEJH-MOPGFXCFSA-N 0 0 381.476 3.759 10 0 GHAERN C[C@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000172709409 882301183 /nfs/dbraw/zinc/30/11/83/882301183.db2.gz NIZHPNLQRBVNRW-NEPJUHHUSA-N 0 0 395.521 3.907 10 0 GHAERN CC(C)(C)c1ccc(CCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172791748 882308754 /nfs/dbraw/zinc/30/87/54/882308754.db2.gz JBPIQURUBKFHKA-UHFFFAOYSA-N 0 0 393.531 3.590 10 0 GHAERN CCCCOc1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172869173 882314817 /nfs/dbraw/zinc/31/48/17/882314817.db2.gz CGJGHDSJUXZBRB-UHFFFAOYSA-N 0 0 381.476 3.751 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC1CC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173163511 882336685 /nfs/dbraw/zinc/33/66/85/882336685.db2.gz PSSFBHPZWAWDHN-UHFFFAOYSA-N 0 0 397.450 3.500 10 0 GHAERN CN(Cc1csc2ccccc12)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173103871 882350114 /nfs/dbraw/zinc/35/01/14/882350114.db2.gz RWFPTBBRAOHCIX-UHFFFAOYSA-N 0 0 393.512 3.807 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)C[C@@H]2c3ccccc3NC2=O)CC1 ZINC000102379144 882366128 /nfs/dbraw/zinc/36/61/28/882366128.db2.gz WMPZUCNHEWIWIG-LJQANCHMSA-N 0 0 378.472 3.602 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1nc(C(C)(C)C)no1 ZINC000173543370 882378725 /nfs/dbraw/zinc/37/87/25/882378725.db2.gz IWEZVGGTJYWZTM-ZDUSSCGKSA-N 0 0 389.475 3.853 10 0 GHAERN CC(C)(C)c1noc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000173922641 882395840 /nfs/dbraw/zinc/39/58/40/882395840.db2.gz QCWCCLKFZJMWHC-UHFFFAOYSA-N 0 0 395.868 3.791 10 0 GHAERN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c12 ZINC000046489424 870434555 /nfs/dbraw/zinc/43/45/55/870434555.db2.gz HYTVPOOTXJESAE-VQTJNVASSA-N 0 0 390.487 3.727 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc(F)cc2OC(F)F)c2ccccc2)[nH]1 ZINC000174052233 882417925 /nfs/dbraw/zinc/41/79/25/882417925.db2.gz FLFGWQXRZSRLEE-HNNXBMFYSA-N 0 0 391.353 3.765 10 0 GHAERN CC(=O)N(CCC(=O)N1CCC(Nc2ccccc2F)CC1)Cc1ccccc1 ZINC000174069614 882421404 /nfs/dbraw/zinc/42/14/04/882421404.db2.gz KULUEMKOIHBVFN-UHFFFAOYSA-N 0 0 397.494 3.667 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CCC(Nc4ccccc4F)CC3)cc2NC1=O ZINC000174085764 882423768 /nfs/dbraw/zinc/42/37/68/882423768.db2.gz CXGFUMXUVQXLJY-CYBMUJFWSA-N 0 0 399.491 3.975 10 0 GHAERN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c2ccccc12 ZINC000106368618 870618515 /nfs/dbraw/zinc/61/85/15/870618515.db2.gz QBOULRKIAYFSMA-SFHVURJKSA-N 0 0 399.516 3.725 10 0 GHAERN Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1N1CCOC1=O ZINC000174951899 882509597 /nfs/dbraw/zinc/50/95/97/882509597.db2.gz NSXBAHPXUHWFGW-AWEZNQCLSA-N 0 0 386.477 3.820 10 0 GHAERN Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C[C@@H](C)O2 ZINC000175054266 882520510 /nfs/dbraw/zinc/52/05/10/882520510.db2.gz HQVDNSASQFESEH-MRXNPFEDSA-N 0 0 396.462 3.800 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(N4CCCNC4=O)c3)C2)cc1 ZINC000175348594 882544417 /nfs/dbraw/zinc/54/44/17/882544417.db2.gz KDDXMYKRLNTYJA-LPHOPBHVSA-N 0 0 393.487 3.633 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2)o1 ZINC000175395839 882549894 /nfs/dbraw/zinc/54/98/94/882549894.db2.gz XYCCBBCBQYZKAA-UHFFFAOYSA-N 0 0 390.443 3.674 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)C2)c1 ZINC000175402215 882551508 /nfs/dbraw/zinc/55/15/08/882551508.db2.gz ISYVGBFCNHMDRI-KRWDZBQOSA-N 0 0 377.444 3.519 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2cnn(C)c2n1 ZINC000175169372 882555135 /nfs/dbraw/zinc/55/51/35/882555135.db2.gz MXCOFSPRPLRNAV-MRXNPFEDSA-N 0 0 377.473 3.864 10 0 GHAERN O=C(COc1ccc2c(c1)CCC2)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101532048 872068322 /nfs/dbraw/zinc/06/83/22/872068322.db2.gz SFMLIXRVCXRYGC-UHFFFAOYSA-N 0 0 380.419 3.707 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@H](C)c3ncc(C)s3)C2)c1 ZINC000175464096 882583325 /nfs/dbraw/zinc/58/33/25/882583325.db2.gz DBJYMKUERSUXDD-ZIAGYGMSSA-N 0 0 375.494 3.729 10 0 GHAERN O=C(c1ncccc1OCC(F)(F)F)N1CCC(Nc2ccccc2F)CC1 ZINC000175914854 882615043 /nfs/dbraw/zinc/61/50/43/882615043.db2.gz CIUPFJCKSLIHRB-UHFFFAOYSA-N 0 0 397.372 3.879 10 0 GHAERN CC[C@H](NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)c1nccs1 ZINC000175802441 882633044 /nfs/dbraw/zinc/63/30/44/882633044.db2.gz DVZHDRVMFHXPNS-DYVFJYSZSA-N 0 0 375.494 3.811 10 0 GHAERN Cc1cc(C)n2nc(CCCOC(=O)[C@]3(C)CCCc4ccccc43)nc2n1 ZINC000102123910 872614225 /nfs/dbraw/zinc/61/42/25/872614225.db2.gz OMJNWQHBTYZFNL-JOCHJYFZSA-N 0 0 378.476 3.511 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1F ZINC000175854222 882640944 /nfs/dbraw/zinc/64/09/44/882640944.db2.gz NCFBDWJOMLNLRD-MHZLTWQESA-N 0 0 393.459 3.811 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@H](c4ccc(F)c(F)c4)C3)nc21 ZINC000176128663 882669532 /nfs/dbraw/zinc/66/95/32/882669532.db2.gz GQYPHYMWZWXZNV-SFHVURJKSA-N 0 0 385.414 3.682 10 0 GHAERN C[C@@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000176370319 882684152 /nfs/dbraw/zinc/68/41/52/882684152.db2.gz ZQKHVTZBGGFMMN-OAHLLOKOSA-N 0 0 382.485 3.973 10 0 GHAERN O=C(CCCc1csc2ccccc12)NCc1cccnc1-n1cncn1 ZINC000176448373 882692908 /nfs/dbraw/zinc/69/29/08/882692908.db2.gz CPVWQKJXKQJLDQ-UHFFFAOYSA-N 0 0 377.473 3.516 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)cc2)n1 ZINC000115730527 873157401 /nfs/dbraw/zinc/15/74/01/873157401.db2.gz IEWHPRGZGSGKPL-SFHVURJKSA-N 0 0 390.468 3.894 10 0 GHAERN O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000116166361 873302835 /nfs/dbraw/zinc/30/28/35/873302835.db2.gz WPNSPPUMCMXBMA-IRXDYDNUSA-N 0 0 390.474 3.710 10 0 GHAERN CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@](C)(c2ccccc2C)C1=O ZINC000102716385 873477272 /nfs/dbraw/zinc/47/72/72/873477272.db2.gz PTZDDDFNWMOBSI-HSZRJFAPSA-N 0 0 393.487 3.526 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)C3(O)CCCC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102792014 873586904 /nfs/dbraw/zinc/58/69/04/873586904.db2.gz YMTXKNUDYBYZKW-STQMWFEESA-N 0 0 386.414 3.563 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)NCc3coc(-c4ccccc4)n3)CC2)n1 ZINC000176857879 882744004 /nfs/dbraw/zinc/74/40/04/882744004.db2.gz OEKCCYRVQSBBQJ-UHFFFAOYSA-N 0 0 391.475 3.513 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)n1 ZINC000116938779 873794338 /nfs/dbraw/zinc/79/43/38/873794338.db2.gz DVUJCUGJFAEZSL-GDBMZVCRSA-N 0 0 384.446 3.779 10 0 GHAERN COCCOc1ccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c(C)c1 ZINC000117001896 873846575 /nfs/dbraw/zinc/84/65/75/873846575.db2.gz HGGMXVMHHXSRHS-UHFFFAOYSA-N 0 0 398.507 3.514 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)C(=O)Nc3c(C)cccc3C(C)C)CC2)n1 ZINC000117073758 873854152 /nfs/dbraw/zinc/85/41/52/873854152.db2.gz WIYNLBBXLQWVMS-UHFFFAOYSA-N 0 0 394.519 3.546 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000117758605 874157646 /nfs/dbraw/zinc/15/76/46/874157646.db2.gz FCKKVNQPVIXOQP-XOBRGWDASA-N 0 0 397.450 3.503 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000117783738 874161955 /nfs/dbraw/zinc/16/19/55/874161955.db2.gz NTTHIKDSRLFQHQ-XOBRGWDASA-N 0 0 379.485 3.819 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000004306357 874215133 /nfs/dbraw/zinc/21/51/33/874215133.db2.gz VUZCQJDFNBWEJA-JOCHJYFZSA-N 0 0 379.460 3.606 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1Cn1ccnc1 ZINC000177776444 882824894 /nfs/dbraw/zinc/82/48/94/882824894.db2.gz XCWSYRRDLADONW-KRWDZBQOSA-N 0 0 384.867 3.815 10 0 GHAERN CCOCCC1(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CCCC1 ZINC000177620028 882837635 /nfs/dbraw/zinc/83/76/35/882837635.db2.gz USAWSROIHZYZEX-GOSISDBHSA-N 0 0 399.539 3.605 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H](C)c3nc(-c4cccc(F)c4)no3)nc21 ZINC000177654668 882838897 /nfs/dbraw/zinc/83/88/97/882838897.db2.gz ZHRWFIDMGZMKCR-CYBMUJFWSA-N 0 0 393.422 3.870 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NCC[C@@H]1c3ccccc3NC1=O)CCC2 ZINC000177834497 882866795 /nfs/dbraw/zinc/86/67/95/882866795.db2.gz NFZQDFZXODZGSY-RHSMWYFYSA-N 0 0 398.532 3.850 10 0 GHAERN CN(C)c1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(C(F)(F)F)c1 ZINC000178173107 882871068 /nfs/dbraw/zinc/87/10/68/882871068.db2.gz ANNBXYCAKRIFRH-OAHLLOKOSA-N 0 0 394.397 3.852 10 0 GHAERN CO[C@@H]1CCC[C@@H]1OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000120065759 875434664 /nfs/dbraw/zinc/43/46/64/875434664.db2.gz ISOXNZRNTAENOT-RTWAWAEBSA-N 0 0 381.472 3.803 10 0 GHAERN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178931746 882937790 /nfs/dbraw/zinc/93/77/90/882937790.db2.gz QLTDOKRTWPWZGK-KRWDZBQOSA-N 0 0 392.507 3.824 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@](C)(c3ccccc3)C2)n1 ZINC000120182755 875628141 /nfs/dbraw/zinc/62/81/41/875628141.db2.gz XJBIABYSEWHJGS-FQEVSTJZSA-N 0 0 377.435 3.865 10 0 GHAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000179086306 882951868 /nfs/dbraw/zinc/95/18/68/882951868.db2.gz DVCBVPKVBWZEDS-LJQANCHMSA-N 0 0 396.516 3.758 10 0 GHAERN CC(C)c1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000179462142 883000543 /nfs/dbraw/zinc/00/05/43/883000543.db2.gz QHPAQCFESKULMA-MLGOLLRUSA-N 0 0 380.286 3.918 10 0 GHAERN C[C@@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179815634 883029882 /nfs/dbraw/zinc/02/98/82/883029882.db2.gz ZHSBANQROZYVSI-GFCCVEGCSA-N 0 0 392.427 3.874 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000121043184 876456468 /nfs/dbraw/zinc/45/64/68/876456468.db2.gz MUMCEYHDGHXTAY-SOUVJXGZSA-N 0 0 379.526 3.543 10 0 GHAERN COc1ccc(-n2nc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2C)cc1 ZINC000180144407 883061595 /nfs/dbraw/zinc/06/15/95/883061595.db2.gz VLKRQBGCPLVGRR-OAHLLOKOSA-N 0 0 382.489 3.666 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1 ZINC000180608287 883083729 /nfs/dbraw/zinc/08/37/29/883083729.db2.gz DOBJMHYYMRVKSF-OAHLLOKOSA-N 0 0 389.887 3.972 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCSc4ccc(C(F)(F)F)cc43)cnc21 ZINC000121429661 877079491 /nfs/dbraw/zinc/07/94/91/877079491.db2.gz ZLHLCUIFOQTQHC-UHFFFAOYSA-N 0 0 378.379 3.740 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccnc3SC(F)F)CC2)nc1 ZINC000180863154 883105033 /nfs/dbraw/zinc/10/50/33/883105033.db2.gz JEAGTDVTNVXPFT-UHFFFAOYSA-N 0 0 379.432 3.783 10 0 GHAERN COc1ccc(-n2ccc(CN[C@H](C)c3cnn(-c4ccccn4)c3C)n2)cc1 ZINC000121703058 877668866 /nfs/dbraw/zinc/66/88/66/877668866.db2.gz QNYYTKRCBYSHEO-MRXNPFEDSA-N 0 0 388.475 3.621 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000121745605 877703130 /nfs/dbraw/zinc/70/31/30/877703130.db2.gz YGZOWYHYHUPDHW-NSHDSACASA-N 0 0 398.207 3.808 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000122056480 878246134 /nfs/dbraw/zinc/24/61/34/878246134.db2.gz AQIWBHLAJZULMJ-MAUKXSAKSA-N 0 0 393.487 3.592 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000122056257 878246333 /nfs/dbraw/zinc/24/63/33/878246333.db2.gz AQIWBHLAJZULMJ-CRAIPNDOSA-N 0 0 393.487 3.592 10 0 GHAERN CC(C)(CO)CCCNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000122739296 879385155 /nfs/dbraw/zinc/38/51/55/879385155.db2.gz MNUSKRIUYINMBW-GOSISDBHSA-N 0 0 384.524 3.764 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1F ZINC000181481372 883156823 /nfs/dbraw/zinc/15/68/23/883156823.db2.gz VLPMHYNXORLSJV-HWKANZROSA-N 0 0 397.372 3.927 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c(Cl)n1 ZINC000181850429 883188922 /nfs/dbraw/zinc/18/89/22/883188922.db2.gz UAWSMZPEGBBGKU-UHFFFAOYSA-N 0 0 397.906 3.793 10 0 GHAERN CC(C)[C@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc(Cl)c1 ZINC000181929966 883193688 /nfs/dbraw/zinc/19/36/88/883193688.db2.gz KRNKAKITJNTERN-FQEVSTJZSA-N 0 0 389.927 3.675 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN3CCC[C@@H](c4nccs4)C3)s2)cc1 ZINC000182423116 883220421 /nfs/dbraw/zinc/22/04/21/883220421.db2.gz FDCQPICNYZIAKB-CQSZACIVSA-N 0 0 399.545 3.935 10 0 GHAERN CC(C)(C)Sc1cc(C(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)ccn1 ZINC000182625850 883229614 /nfs/dbraw/zinc/22/96/14/883229614.db2.gz FBYZVKPEAMJFRG-NVXWUHKLSA-N 0 0 387.549 3.588 10 0 GHAERN Cc1nnc([C@@H](NC(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000183520343 883268971 /nfs/dbraw/zinc/26/89/71/883268971.db2.gz MFTMKFHJLKCPPR-DJJJIMSYSA-N 0 0 396.878 3.881 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2cn(-c3ccccc3)nc2C)c2ccccc2)[nH]1 ZINC000183666074 883294354 /nfs/dbraw/zinc/29/43/54/883294354.db2.gz QWLYATBSQBNCRC-IBGZPJMESA-N 0 0 387.447 3.518 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2C2CCCC2)c2ccc(F)cc2C1 ZINC000184011159 883298040 /nfs/dbraw/zinc/29/80/40/883298040.db2.gz GPNQFPRVLOWGMJ-RTWAWAEBSA-N 0 0 387.499 3.983 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184025186 883300651 /nfs/dbraw/zinc/30/06/51/883300651.db2.gz AOQGOGQFCDCRSY-GCJKJVERSA-N 0 0 395.478 3.818 10 0 GHAERN CC[C@@H](NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1nccs1 ZINC000184036718 883302758 /nfs/dbraw/zinc/30/27/58/883302758.db2.gz DLUWWCJOHUHLIF-IAGOWNOFSA-N 0 0 390.484 3.526 10 0 GHAERN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183900726 883309073 /nfs/dbraw/zinc/30/90/73/883309073.db2.gz GKSYSLWUYWKBEX-HTAPYJJXSA-N 0 0 391.515 3.764 10 0 GHAERN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCCc1nnc2n1CCCC2 ZINC000184128764 883322969 /nfs/dbraw/zinc/32/29/69/883322969.db2.gz DLKIOXRGLCMRIL-RMKNXTFCSA-N 0 0 396.438 3.598 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1C ZINC000184045360 883329616 /nfs/dbraw/zinc/32/96/16/883329616.db2.gz JNLUMZFEVFSILN-OAHLLOKOSA-N 0 0 376.844 3.917 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)CCO2)o1 ZINC000184336691 883343992 /nfs/dbraw/zinc/34/39/92/883343992.db2.gz VJUPVWGWRZWILP-SFHVURJKSA-N 0 0 386.448 3.988 10 0 GHAERN CCOc1cccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185199905 883414979 /nfs/dbraw/zinc/41/49/79/883414979.db2.gz HYSNGYVCIOPPSR-FQEVSTJZSA-N 0 0 385.439 3.839 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CC[C@]3(C2)OCc2ccccc23)ccc1OC ZINC000185070519 883416053 /nfs/dbraw/zinc/41/60/53/883416053.db2.gz RHLBVDNAWHMYNC-BDTMADQZSA-N 0 0 379.456 3.765 10 0 GHAERN CCC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185247142 883429755 /nfs/dbraw/zinc/42/97/55/883429755.db2.gz OZZMOFVLADNUSD-QUCCMNQESA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@@H](NCc2cn3cc(Cl)ccc3n2)c2ccc(F)cc2C1 ZINC000185349747 883437622 /nfs/dbraw/zinc/43/76/22/883437622.db2.gz WPFOEIXFSDHSGV-LJQANCHMSA-N 0 0 386.858 3.710 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C/C=C/c2ccccc2F)c2ccc(F)cc2C1 ZINC000185514110 883548938 /nfs/dbraw/zinc/54/89/38/883548938.db2.gz ROAFCJGYQYMSSN-LWQICCLCSA-N 0 0 384.426 3.978 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2cccc(OC(C)C)c2)c2ccc(F)cc2C1 ZINC000185520474 883550091 /nfs/dbraw/zinc/55/00/91/883550091.db2.gz PHFIAPKPQLFNIT-QFIPXVFZSA-N 0 0 398.478 3.765 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccc(F)cc2C1 ZINC000185518604 883550258 /nfs/dbraw/zinc/55/02/58/883550258.db2.gz XKSIXGIENAKIJN-QFIPXVFZSA-N 0 0 391.446 3.840 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccccc2OCC2CC2)c2ccc(F)cc2C1 ZINC000185520836 883550347 /nfs/dbraw/zinc/55/03/47/883550347.db2.gz KEURPFVQGSDIPF-OAQYLSRUSA-N 0 0 396.462 3.838 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)COc2cccc(C(C)C)c2)c2ccc(F)cc2C1 ZINC000185535674 883551524 /nfs/dbraw/zinc/55/15/24/883551524.db2.gz FZZKXEMZOOOUOQ-JOCHJYFZSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cccc3ccc(C)nc32)c2ccc(F)cc2C1 ZINC000185558529 883556493 /nfs/dbraw/zinc/55/64/93/883556493.db2.gz ZOBQKFDLGHATLY-NRFANRHFSA-N 0 0 391.446 3.906 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000185558287 883556801 /nfs/dbraw/zinc/55/68/01/883556801.db2.gz FHHRBILXUWAKPZ-SPLOXXLWSA-N 0 0 386.442 3.753 10 0 GHAERN COc1cccc(Cl)c1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185567748 883558105 /nfs/dbraw/zinc/55/81/05/883558105.db2.gz XBAOFENMUZDIIL-QGZVFWFLSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185688320 883573838 /nfs/dbraw/zinc/57/38/38/883573838.db2.gz FMCXAHZHVYXRIC-XOBRGWDASA-N 0 0 376.472 3.521 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC2(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000185818955 883576146 /nfs/dbraw/zinc/57/61/46/883576146.db2.gz HGGDVRNSFOEAAM-OAQYLSRUSA-N 0 0 395.478 3.694 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185706235 883579083 /nfs/dbraw/zinc/57/90/83/883579083.db2.gz GTZKMMJBGDZOGY-HXUWFJFHSA-N 0 0 390.487 3.658 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c2ncccc12 ZINC000186084620 883609540 /nfs/dbraw/zinc/60/95/40/883609540.db2.gz SYVKHLILTQFGGH-UHFFFAOYSA-N 0 0 393.491 3.854 10 0 GHAERN Cn1cc([C@@H](NC(=O)N2CCC[C@@H](c3nccs3)C2)c2ccc(F)cc2)cn1 ZINC000185984203 883612392 /nfs/dbraw/zinc/61/23/92/883612392.db2.gz BBBIYMWJDBGXBM-QAPCUYQASA-N 0 0 399.495 3.694 10 0 GHAERN Cc1nccn1-c1ccc([C@H](C)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243955 883624797 /nfs/dbraw/zinc/62/47/97/883624797.db2.gz XVWKXGVPFLXDDZ-YWZLYKJASA-N 0 0 381.501 3.750 10 0 GHAERN CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000186442141 883646218 /nfs/dbraw/zinc/64/62/18/883646218.db2.gz YQAYBLHWGAYSGH-UHFFFAOYSA-N 0 0 396.491 3.781 10 0 GHAERN Cc1nc(-c2cccs2)sc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186381815 883652479 /nfs/dbraw/zinc/65/24/79/883652479.db2.gz RCKDBZFBWLQXOP-UHFFFAOYSA-N 0 0 384.530 3.928 10 0 GHAERN CN1Cc2cc(NC(=O)NCCSCc3ccccc3F)ccc2NC1=O ZINC000186573395 883664338 /nfs/dbraw/zinc/66/43/38/883664338.db2.gz FOZHABBBJXZJAV-UHFFFAOYSA-N 0 0 388.468 3.858 10 0 GHAERN CN1Cc2cc(NC(=O)NCCc3csc(C(C)(C)C)n3)ccc2NC1=O ZINC000186584118 883665977 /nfs/dbraw/zinc/66/59/77/883665977.db2.gz RZHLXUNMNXZYHG-UHFFFAOYSA-N 0 0 387.509 3.782 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000186999047 883742005 /nfs/dbraw/zinc/74/20/05/883742005.db2.gz MIUDBXCYGIIFKL-HOCLYGCPSA-N 0 0 379.526 3.762 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2csc(C)n2)cc2c1OCCO2 ZINC000187129977 883748414 /nfs/dbraw/zinc/74/84/14/883748414.db2.gz BKUZFXOWRZOMEA-JFDDCEBESA-N 0 0 386.473 3.608 10 0 GHAERN O=C(NCCCc1nc2ccccc2[nH]1)N1CCC(Cc2ccccn2)CC1 ZINC000187093842 883754564 /nfs/dbraw/zinc/75/45/64/883754564.db2.gz JSPYQOMDAIKALQ-UHFFFAOYSA-N 0 0 377.492 3.555 10 0 GHAERN O=C(NCc1coc(-c2ccccc2)n1)N1CCC(Nc2nccs2)CC1 ZINC000187276110 883775364 /nfs/dbraw/zinc/77/53/64/883775364.db2.gz HNODIPIXUXMFAS-UHFFFAOYSA-N 0 0 383.477 3.584 10 0 GHAERN COc1ccc([C@H](C)CCNC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000187278682 883775784 /nfs/dbraw/zinc/77/57/84/883775784.db2.gz SJMJVTYDTHUJSL-OAHLLOKOSA-N 0 0 388.537 3.931 10 0 GHAERN C[C@H](NC(=O)c1cc(Br)ncc1Cl)[C@H]1COc2ccccc21 ZINC000187664678 883806487 /nfs/dbraw/zinc/80/64/87/883806487.db2.gz BTHDMMDDOONHCE-JOYOIKCWSA-N 0 0 381.657 3.792 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)ccc1OC(C)C ZINC000188796806 883873538 /nfs/dbraw/zinc/87/35/38/883873538.db2.gz YTIKNSMCJYHJHB-XAVKZTDYSA-N 0 0 398.507 3.814 10 0 GHAERN FC(F)(F)c1ccn(-c2ccc(CN[C@H](c3ncc[nH]3)c3ccncc3)cc2)n1 ZINC000189085655 883902384 /nfs/dbraw/zinc/90/23/84/883902384.db2.gz LITJKWBSSKDSOA-SFHVURJKSA-N 0 0 398.392 3.888 10 0 GHAERN COCCc1ccccc1NC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1 ZINC000189462491 883944397 /nfs/dbraw/zinc/94/43/97/883944397.db2.gz GDXSLVHBAWSYNT-VQTJNVASSA-N 0 0 396.487 3.686 10 0 GHAERN Cc1nc(CN2CCC(CNC(=O)Cc3ccc(OC(C)C)cc3)CC2)oc1C ZINC000189443980 883955772 /nfs/dbraw/zinc/95/57/72/883955772.db2.gz OSTLPLDKUWGZMV-UHFFFAOYSA-N 0 0 399.535 3.650 10 0 GHAERN O=C(c1cnc(-c2ccncc2)s1)N1CC2(CCOCC2)c2ccccc21 ZINC000189787951 883995035 /nfs/dbraw/zinc/99/50/35/883995035.db2.gz WOSPUDFMMSNSHR-UHFFFAOYSA-N 0 0 377.469 3.914 10 0 GHAERN COc1ccc(CCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000189823728 884015115 /nfs/dbraw/zinc/01/51/15/884015115.db2.gz LHNFVVZNXXHHCC-UHFFFAOYSA-N 0 0 381.472 3.731 10 0 GHAERN Cc1ccnc(-n2nccc2NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000189827513 884015334 /nfs/dbraw/zinc/01/53/34/884015334.db2.gz HZUWCIWBGLECJI-UHFFFAOYSA-N 0 0 394.454 3.823 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 ZINC000189950684 884026162 /nfs/dbraw/zinc/02/61/62/884026162.db2.gz UDGGBKZCILGUGM-UHFFFAOYSA-N 0 0 398.898 3.746 10 0 GHAERN COc1ccc2sc(C(=O)N3C[C@H](OC)C[C@@H]3c3nc(C)no3)c(C)c2c1 ZINC000190018671 884044086 /nfs/dbraw/zinc/04/40/86/884044086.db2.gz XJAFMPVHPNBJII-UKRRQHHQSA-N 0 0 387.461 3.512 10 0 GHAERN COc1ccc([C@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1F ZINC000190044847 884045464 /nfs/dbraw/zinc/04/54/64/884045464.db2.gz QOCFKUVOYGYUET-LBPRGKRZSA-N 0 0 378.473 3.638 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152844 884049912 /nfs/dbraw/zinc/04/99/12/884049912.db2.gz CCRLKUGASUYYCJ-GHTZIAJQSA-N 0 0 389.459 3.679 10 0 GHAERN O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190281310 884064514 /nfs/dbraw/zinc/06/45/14/884064514.db2.gz PXKAUIWWEJTLSS-ZDUSSCGKSA-N 0 0 388.443 3.686 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 ZINC000190391760 884075394 /nfs/dbraw/zinc/07/53/94/884075394.db2.gz HWKXSZIXSBELGY-ZUCKAHLUSA-N 0 0 391.418 3.787 10 0 GHAERN CSc1nc(C2CC2)nc(C)c1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190441002 884081699 /nfs/dbraw/zinc/08/16/99/884081699.db2.gz TVRASDVSHYQUGS-UHFFFAOYSA-N 0 0 389.550 3.558 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1c(F)cccc1F)C1CC1 ZINC000190514394 884095842 /nfs/dbraw/zinc/09/58/42/884095842.db2.gz SSRMSGNMPWFMSE-OAHLLOKOSA-N 0 0 385.414 3.765 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCc3cc(Cl)ccc3C2)CC1 ZINC000191539223 884198097 /nfs/dbraw/zinc/19/80/97/884198097.db2.gz QFUFXVKNYKOFPG-UHFFFAOYSA-N 0 0 388.920 3.839 10 0 GHAERN CCn1cc([C@H]2CN(Cc3c(Cl)n(C)nc3-c3ccccc3)CCO2)cn1 ZINC000191703677 884216201 /nfs/dbraw/zinc/21/62/01/884216201.db2.gz NRPVKVTTWLOULN-GOSISDBHSA-N 0 0 385.899 3.530 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192135020 884242410 /nfs/dbraw/zinc/24/24/10/884242410.db2.gz AKSKKNWCOBCXBV-VQIMIIECSA-N 0 0 387.386 3.643 10 0 GHAERN Cc1cccc([C@@H](NC(=O)NCC2CCC3(CC2)OCCO3)c2ccccn2)c1 ZINC000192330828 884251383 /nfs/dbraw/zinc/25/13/83/884251383.db2.gz KRDJLGAGJSCYCZ-OAQYLSRUSA-N 0 0 395.503 3.712 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(O)(c4ccccc4Cl)CC3)nc21 ZINC000192566835 884281731 /nfs/dbraw/zinc/28/17/31/884281731.db2.gz VNUVKUBNBWEIFC-UHFFFAOYSA-N 0 0 397.906 3.968 10 0 GHAERN O=C(N[C@@H](c1ccsc1)c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000105188317 884665641 /nfs/dbraw/zinc/66/56/41/884665641.db2.gz URZUSORSBGBJDN-GOSISDBHSA-N 0 0 375.925 3.981 10 0 GHAERN Cc1ccccc1SCC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000105341960 884719255 /nfs/dbraw/zinc/71/92/55/884719255.db2.gz OGYSLCHELFTXES-UHFFFAOYSA-N 0 0 377.893 3.871 10 0 GHAERN NC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1F ZINC000105371902 884776188 /nfs/dbraw/zinc/77/61/88/884776188.db2.gz MHCBEBJPOBVPLM-NRFANRHFSA-N 0 0 389.430 3.667 10 0 GHAERN CC(C)c1noc2ncc(C(=O)Nc3ccnn3Cc3ccccc3F)cc21 ZINC000105973285 884885151 /nfs/dbraw/zinc/88/51/51/884885151.db2.gz GIATWLISTRVYDD-UHFFFAOYSA-N 0 0 379.395 3.982 10 0 GHAERN CCC[C@@](C)(NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21)C(=O)OC ZINC000105877220 884898838 /nfs/dbraw/zinc/89/88/38/884898838.db2.gz MEDZYDROJXAFJF-OAQYLSRUSA-N 0 0 381.432 3.660 10 0 GHAERN COC(=O)c1cc(F)ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000103465762 884992270 /nfs/dbraw/zinc/99/22/70/884992270.db2.gz GLNUTMVUDQCHIJ-UHFFFAOYSA-N 0 0 396.462 3.669 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000104459120 885452999 /nfs/dbraw/zinc/45/29/99/885452999.db2.gz DROHVIAUUWWFOQ-RTBURBONSA-N 0 0 396.531 3.619 10 0 GHAERN Cc1cccc(Oc2ncccc2NC(=O)N2CCC(n3cncn3)CC2)c1C ZINC000101748116 885953242 /nfs/dbraw/zinc/95/32/42/885953242.db2.gz AJEVGLLVSFQFIC-UHFFFAOYSA-N 0 0 392.463 3.951 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567553 885973579 /nfs/dbraw/zinc/97/35/79/885973579.db2.gz DDPBZXJJVZGADT-UHFFFAOYSA-N 0 0 388.830 3.913 10 0 GHAERN COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000103001027 885982839 /nfs/dbraw/zinc/98/28/39/885982839.db2.gz HLVZXQKIFRNVOT-AWEZNQCLSA-N 0 0 377.444 3.886 10 0 GHAERN CCOCc1ccc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1 ZINC000104245513 886000745 /nfs/dbraw/zinc/00/07/45/886000745.db2.gz GLTOORIZXGIZLW-HXUWFJFHSA-N 0 0 381.476 3.536 10 0 GHAERN O=C(Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)c1)C1CC1 ZINC000104237517 886001068 /nfs/dbraw/zinc/00/10/68/886001068.db2.gz YGLWWRNWVPPOQJ-LJQANCHMSA-N 0 0 392.459 3.670 10 0 GHAERN Cc1nnc([C@@H](NC(=O)C=Cc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000104403701 886002706 /nfs/dbraw/zinc/00/27/06/886002706.db2.gz VCAMPQNSKRYBMP-CVTTXWKISA-N 0 0 375.457 3.642 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc2)[nH]1 ZINC000105140746 886011191 /nfs/dbraw/zinc/01/11/91/886011191.db2.gz HAYLHTCYYYWBLH-DLBZAZTESA-N 0 0 397.479 3.878 10 0 GHAERN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218203 886286887 /nfs/dbraw/zinc/28/68/87/886286887.db2.gz HERLPUHXRUSPGO-MRXNPFEDSA-N 0 0 375.476 3.698 10 0 GHAERN Cc1nc([C@H](NC(=O)c2csc(-c3ccccn3)n2)c2ccccc2F)no1 ZINC000114648618 886319185 /nfs/dbraw/zinc/31/91/85/886319185.db2.gz KAVFZXLBPUUZEL-MRXNPFEDSA-N 0 0 395.419 3.555 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000114826353 886328271 /nfs/dbraw/zinc/32/82/71/886328271.db2.gz LOVFXJPPRNUCRO-WBVHZDCISA-N 0 0 398.532 3.920 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)n1 ZINC000116666780 886369619 /nfs/dbraw/zinc/36/96/19/886369619.db2.gz UCYZHNXLRXOLGP-UHFFFAOYSA-N 0 0 381.524 3.618 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000119019584 886422168 /nfs/dbraw/zinc/42/21/68/886422168.db2.gz XVNSJRHBZHIUNR-RTBURBONSA-N 0 0 398.507 3.530 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)NCc2cccc(NC(=O)N(C)C)c2)n1 ZINC000119154899 886429530 /nfs/dbraw/zinc/42/95/30/886429530.db2.gz NRFRTNVYGPAQDC-LJQANCHMSA-N 0 0 381.480 3.530 10 0 GHAERN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000119853814 886483622 /nfs/dbraw/zinc/48/36/22/886483622.db2.gz OIQLKLOHJMXMQL-INIZCTEOSA-N 0 0 396.516 3.631 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000120235106 886509967 /nfs/dbraw/zinc/50/99/67/886509967.db2.gz NFWKZVIIIBUJJC-CABCVRRESA-N 0 0 390.455 3.505 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4ccnc4)c3)CCO2)o1 ZINC000120735787 886529864 /nfs/dbraw/zinc/52/98/64/886529864.db2.gz XKEMZCOLYCREAK-OXJNMPFZSA-N 0 0 380.448 3.618 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@H]1CCCn3cc(C)nc31)CCC2 ZINC000332687080 886539879 /nfs/dbraw/zinc/53/98/79/886539879.db2.gz OCQMDHHVLWBDSL-ZBFHGGJFSA-N 0 0 387.553 3.807 10 0 GHAERN Cc1noc([C@@H](NC(=O)N[C@@H](C)c2cccc(Cl)c2)C2CCOCC2)n1 ZINC000332776903 886543359 /nfs/dbraw/zinc/54/33/59/886543359.db2.gz MNDSVHRLWLNWRJ-ZBEGNZNMSA-N 0 0 378.860 3.560 10 0 GHAERN O=C(Nc1ccccc1CN1CCOCC1)N1CC=C(c2ccccc2F)CC1 ZINC000122458187 886588869 /nfs/dbraw/zinc/58/88/69/886588869.db2.gz NOVKLNPBPLCYAS-UHFFFAOYSA-N 0 0 395.478 3.979 10 0 GHAERN O=C(c1cc(Br)cc(Cl)c1[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000124284030 886724385 /nfs/dbraw/zinc/72/43/85/886724385.db2.gz TVOJVPZFHQPRDW-UHFFFAOYSA-N 0 0 387.705 3.509 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124320655 886731361 /nfs/dbraw/zinc/73/13/61/886731361.db2.gz IMHHKRTTYYRHTP-VBQJREDUSA-N 0 0 392.500 3.922 10 0 GHAERN CCCOc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000124935584 886813404 /nfs/dbraw/zinc/81/34/04/886813404.db2.gz OYADSCFHEWBOLA-UHFFFAOYSA-N 0 0 387.505 3.917 10 0 GHAERN O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)N1CC[C@]2(CCOC2)C1 ZINC000125322234 886854782 /nfs/dbraw/zinc/85/47/82/886854782.db2.gz DEICXUPACWWLHJ-IBGZPJMESA-N 0 0 388.855 3.912 10 0 GHAERN COc1ccc(OC)c(CCC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000125501161 886873123 /nfs/dbraw/zinc/87/31/23/886873123.db2.gz BUFZQHCZUNZEEG-HNNXBMFYSA-N 0 0 395.459 3.606 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000126010579 886922870 /nfs/dbraw/zinc/92/28/70/886922870.db2.gz FJCJPDTVFMPFEK-QFBILLFUSA-N 0 0 381.501 3.593 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126329491 886959218 /nfs/dbraw/zinc/95/92/18/886959218.db2.gz AJAOIGYYYYNVOG-UHFFFAOYSA-N 0 0 387.867 3.603 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126346392 886960636 /nfs/dbraw/zinc/96/06/36/886960636.db2.gz ZYBNPCFDZDRGAS-UHFFFAOYSA-N 0 0 387.480 3.557 10 0 GHAERN O=C(/C=C/c1c(Cl)cccc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000126354853 886960774 /nfs/dbraw/zinc/96/07/74/886960774.db2.gz LZIGMVHGXLGCEM-SNAWJCMRSA-N 0 0 394.302 3.602 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000127394997 887057168 /nfs/dbraw/zinc/05/71/68/887057168.db2.gz HMFHEDLEPBYKKO-TZIWHRDSSA-N 0 0 396.487 3.639 10 0 GHAERN COc1ccc(-c2cncc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)c2)cc1 ZINC000127521804 887072483 /nfs/dbraw/zinc/07/24/83/887072483.db2.gz GDKQLHGGUUGYFQ-OAQYLSRUSA-N 0 0 378.428 3.872 10 0 GHAERN CN(Cc1csc2ccccc12)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045711481 887089321 /nfs/dbraw/zinc/08/93/21/887089321.db2.gz VJAPHWRRSFUSKG-UHFFFAOYSA-N 0 0 381.505 3.502 10 0 GHAERN Cc1ccc(Br)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000129209715 887271163 /nfs/dbraw/zinc/27/11/63/887271163.db2.gz IMHLTAVCHJLKLR-CQSZACIVSA-N 0 0 376.254 3.838 10 0 GHAERN COc1ccnc(N2CCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)n1 ZINC000105028602 887322086 /nfs/dbraw/zinc/32/20/86/887322086.db2.gz IIBICBLXTHSCBP-UHFFFAOYSA-N 0 0 395.488 3.568 10 0 GHAERN O=C(Nc1ccccc1SC(F)(F)F)C1CCN(c2ncccn2)CC1 ZINC000129804981 887353516 /nfs/dbraw/zinc/35/35/16/887353516.db2.gz 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O=C(N[C@H](c1ccc(Cl)cc1)C1CCCC1)N1CCN(c2cccnn2)CC1 ZINC000105254424 888256967 /nfs/dbraw/zinc/25/69/67/888256967.db2.gz NMMSIXJOXOBBDT-FQEVSTJZSA-N 0 0 399.926 3.893 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000054653526 888284273 /nfs/dbraw/zinc/28/42/73/888284273.db2.gz XQADIRSJCUSUPH-FGZHOGPDSA-N 0 0 392.499 3.575 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1csc(-c2ccsc2)n1 ZINC000054727927 888285551 /nfs/dbraw/zinc/28/55/51/888285551.db2.gz PGYKBRJPKFWVTP-CYBMUJFWSA-N 0 0 390.511 3.520 10 0 GHAERN CC[C@H](C)N(CC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2OC)o1 ZINC000136805511 888317975 /nfs/dbraw/zinc/31/79/75/888317975.db2.gz RTBOPYAYEIDLEW-AWEZNQCLSA-N 0 0 375.469 3.687 10 0 GHAERN COc1cccc(C(=O)N2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000055699552 888327688 /nfs/dbraw/zinc/32/76/88/888327688.db2.gz WBXAMRQDPMWZNW-UHFFFAOYSA-N 0 0 396.531 3.586 10 0 GHAERN COc1ccc(N(C)C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1Cl ZINC000137791144 888370360 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O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)[C@@H]1CCCc2cccnc21 ZINC000194541706 888610793 /nfs/dbraw/zinc/61/07/93/888610793.db2.gz GTOUJEQKROEPSX-OAHLLOKOSA-N 0 0 394.866 3.647 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000194934324 888632025 /nfs/dbraw/zinc/63/20/25/888632025.db2.gz YYFUHCIWVDARQD-FPOVZHCZSA-N 0 0 383.467 3.549 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000195078866 888643964 /nfs/dbraw/zinc/64/39/64/888643964.db2.gz CNHFQTLMNMFOTJ-PWRODBHTSA-N 0 0 399.441 3.613 10 0 GHAERN CCCCOc1cccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)c1 ZINC000065117954 888745988 /nfs/dbraw/zinc/74/59/88/888745988.db2.gz IHPDGGJJZDNZEH-UHFFFAOYSA-N 0 0 385.464 3.653 10 0 GHAERN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OCc1ncc(C)o1 ZINC000245445957 888780097 /nfs/dbraw/zinc/78/00/97/888780097.db2.gz KTHZLUPJOGYZMP-JQHSSLGASA-N 0 0 398.459 3.508 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000245562655 888954987 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385.518 3.573 10 0 GHAERN COc1ccc(-c2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619624 891294289 /nfs/dbraw/zinc/29/42/89/891294289.db2.gz DZRNPVBHCVFENT-SJLPKXTDSA-N 0 0 392.546 3.534 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)CCO2)o1 ZINC000246809527 891308990 /nfs/dbraw/zinc/30/89/90/891308990.db2.gz PUWSLCWHSQUEOC-QFUCXCTJSA-N 0 0 384.476 3.839 10 0 GHAERN Cc1cc(C)c(NC(=O)CN(C)C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(C)c1 ZINC000247036467 891336438 /nfs/dbraw/zinc/33/64/38/891336438.db2.gz SNXUYNKIMRNYML-KCZVDYSFSA-N 0 0 391.515 3.778 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000247105656 891345092 /nfs/dbraw/zinc/34/50/92/891345092.db2.gz FMQPJXYDKYVIRF-GCJKJVERSA-N 0 0 393.531 3.634 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1)C1CC1 ZINC000247358780 891372437 /nfs/dbraw/zinc/37/24/37/891372437.db2.gz INXQMLWWZHRASU-DNVJHFABSA-N 0 0 389.499 3.905 10 0 GHAERN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247388348 891373898 /nfs/dbraw/zinc/37/38/98/891373898.db2.gz LMABDDLXCHZUTO-BFHYXJOUSA-N 0 0 396.369 3.835 10 0 GHAERN CCS[C@H](C)c1noc(C[S@](=O)[C@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000247974914 891403774 /nfs/dbraw/zinc/40/37/74/891403774.db2.gz KPCOPKBSPQDJFK-DPCRMLNESA-N 0 0 392.506 3.944 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000248567464 891429040 /nfs/dbraw/zinc/42/90/40/891429040.db2.gz BYGOZUUTBAOXSB-FSPWUOQZSA-N 0 0 391.512 3.992 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000248659759 891453365 /nfs/dbraw/zinc/45/33/65/891453365.db2.gz GVVYBALOCZGZAH-YHUYYLMFSA-N 0 0 396.553 3.712 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248693679 891458272 /nfs/dbraw/zinc/45/82/72/891458272.db2.gz BYUIKHYQLQDZIC-QMIHWGKISA-N 0 0 375.488 3.839 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000248831413 891473143 /nfs/dbraw/zinc/47/31/43/891473143.db2.gz MADCHAOWJMJTCJ-SZMVWBNQSA-N 0 0 387.524 3.653 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000248858734 891476176 /nfs/dbraw/zinc/47/61/76/891476176.db2.gz PNKUKIMWSARPFS-AQNXPRMDSA-N 0 0 392.927 3.753 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3nc(C(C)C)ncc3Cl)C2)c1 ZINC000102383950 898007399 /nfs/dbraw/zinc/00/73/99/898007399.db2.gz UXAGDXNKTUHVLY-CQSZACIVSA-N 0 0 388.899 3.518 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000115207572 899169070 /nfs/dbraw/zinc/16/90/70/899169070.db2.gz MJBMCMYPAGQRGB-PAXLWEDBSA-N 0 0 396.535 3.505 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCNC[C@@H]3c3cccnc3)sc2C1 ZINC000333370534 902043320 /nfs/dbraw/zinc/04/33/20/902043320.db2.gz UZKPAWJAPJSVCD-NVXWUHKLSA-N 0 0 399.564 3.868 10 0 GHAERN CN(C)c1ncccc1O[C@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000333404774 902067099 /nfs/dbraw/zinc/06/70/99/902067099.db2.gz FXEQXCVXQQTQOX-HNNXBMFYSA-N 0 0 386.521 3.555 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@@H]3c3ccc(C)c(C)c3)O2)n1 ZINC000333716979 902289516 /nfs/dbraw/zinc/28/95/16/902289516.db2.gz NFMNCOMGXSWMCR-QRVBRYPASA-N 0 0 384.480 3.762 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182181564 907152626 /nfs/dbraw/zinc/15/26/26/907152626.db2.gz RFFRWILZSCBLGQ-RTBURBONSA-N 0 0 379.508 3.929 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCCOc3c(F)cccc31)C2 ZINC000183834377 907463913 /nfs/dbraw/zinc/46/39/13/907463913.db2.gz CYDIPTDUZIRVNO-INIZCTEOSA-N 0 0 386.471 3.664 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cs1 ZINC000187018520 908021129 /nfs/dbraw/zinc/02/11/29/908021129.db2.gz KJRSXESUNQUOLJ-KRWDZBQOSA-N 0 0 378.519 3.611 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cs1 ZINC000187042902 908025043 /nfs/dbraw/zinc/02/50/43/908025043.db2.gz LENPSRSIFFINNY-MJGOQNOKSA-N 0 0 398.532 3.662 10 0 GHAERN COCCCOc1cccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187255040 908061853 /nfs/dbraw/zinc/06/18/53/908061853.db2.gz XLCCXLWXEFYBBS-IBGZPJMESA-N 0 0 389.521 3.914 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000189076241 908279174 /nfs/dbraw/zinc/27/91/74/908279174.db2.gz LNNNNINVLUBQES-AZUAARDMSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C/c2cccc(OC3CCCC3)c2)C1 ZINC000189083391 908281719 /nfs/dbraw/zinc/28/17/19/908281719.db2.gz CQYMFOXGXTUODN-RRCSEMEMSA-N 0 0 397.475 3.701 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)CCO2)cn1 ZINC000189097604 908282341 /nfs/dbraw/zinc/28/23/41/908282341.db2.gz RXXRMPUCGXHBGT-SJCJKPOMSA-N 0 0 380.851 3.540 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(F)cc3Cl)CCO2)cn1 ZINC000189097650 908283917 /nfs/dbraw/zinc/28/39/17/908283917.db2.gz RXXRMPUCGXHBGT-PXAZEXFGSA-N 0 0 380.851 3.540 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C1 ZINC000189448073 908324430 /nfs/dbraw/zinc/32/44/30/908324430.db2.gz WATXXLCSPFFTLT-DOTOQJQBSA-N 0 0 397.435 3.644 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3C[C@@H](OC)C[C@H]3c3nc(C)no3)o2)cc1 ZINC000190043604 908411425 /nfs/dbraw/zinc/41/14/25/908411425.db2.gz BXACKEBTEPIQBC-IRXDYDNUSA-N 0 0 381.432 3.803 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 ZINC000190042696 908411737 /nfs/dbraw/zinc/41/17/37/908411737.db2.gz JXJWAEBAFDXRPG-KFUCAUQGSA-N 0 0 395.381 3.789 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CCO2)n1 ZINC000194084826 908914182 /nfs/dbraw/zinc/91/41/82/908914182.db2.gz VLBRXKNMWSTUCH-HZPDHXFCSA-N 0 0 377.897 3.875 10 0 GHAERN COc1ccc(-c2nnc(SCc3noc(-c4ccc(F)cc4)n3)n2C)cc1 ZINC000360386496 916096755 /nfs/dbraw/zinc/09/67/55/916096755.db2.gz YEBWGYCOCSCYSL-UHFFFAOYSA-N 0 0 397.435 3.972 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000364715390 919897932 /nfs/dbraw/zinc/89/79/32/919897932.db2.gz VEURYEFVRLKVLI-FMIVXFBMSA-N 0 0 384.520 3.740 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000371523593 924629846 /nfs/dbraw/zinc/62/98/46/924629846.db2.gz JFFVPQRSLZQJSP-CVEARBPZSA-N 0 0 381.398 3.646 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](CC(C)C)C2)c2ccc(F)cc2C1 ZINC000184027918 1014571473 /nfs/dbraw/zinc/57/14/73/1014571473.db2.gz ICWULPWABMXDFY-OXJNMPFZSA-N 0 0 375.488 3.697 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(CC(C)C)CC(C)C)c2ccc(F)cc2C1 ZINC000185253690 1014577281 /nfs/dbraw/zinc/57/72/81/1014577281.db2.gz ADYCWGJRYSGHRY-FQEVSTJZSA-N 0 0 377.504 3.943 10 0 GHAERN CC(=O)N1CCC(C(=O)NC[C@@H]2CCCc3ccccc32)(c2ccccc2)CC1 ZINC000033004518 203793937 /nfs/dbraw/zinc/79/39/37/203793937.db2.gz DUHKATLTXSBYNJ-NRFANRHFSA-N 0 0 390.527 3.803 10 0 GHAERN CCn1c(-c2ccc(S(=O)(=O)N(C)C)cc2)csc1=Nc1ccccc1 ZINC000254708357 203816642 /nfs/dbraw/zinc/81/66/42/203816642.db2.gz CTTPSLJMZPKQAQ-UHFFFAOYSA-N 0 0 387.530 3.719 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)cc1 ZINC000004164913 204029868 /nfs/dbraw/zinc/02/98/68/204029868.db2.gz BECNONUWUCDWPU-GJZGRUSLSA-N 0 0 382.386 3.690 10 0 GHAERN O=C(Nc1ccccc1F)[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000004880190 204085248 /nfs/dbraw/zinc/08/52/48/204085248.db2.gz QQYRECWVILUWTC-QGZVFWFLSA-N 0 0 390.461 3.546 10 0 GHAERN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971534 204098590 /nfs/dbraw/zinc/09/85/90/204098590.db2.gz NKDXYMYUSOYEHY-OAHLLOKOSA-N 0 0 396.512 3.516 10 0 GHAERN C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c(C=O)c(CO)cc1O)O2 ZINC000006031121 204161512 /nfs/dbraw/zinc/16/15/12/204161512.db2.gz QKXGRPHIBLICSC-QJAXDWLUSA-N 0 0 388.504 3.604 10 0 GHAERN CC(C)OCCCn1c2nnc(-c3ccc(F)cc3)n2c2ccccc2c1=O ZINC000006781277 204204061 /nfs/dbraw/zinc/20/40/61/204204061.db2.gz PTBUISMPSGKADR-UHFFFAOYSA-N 0 0 380.423 3.665 10 0 GHAERN COc1ccccc1-c1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1 ZINC000006781240 204204321 /nfs/dbraw/zinc/20/43/21/204204321.db2.gz ZIVFDWNBOVELLF-UHFFFAOYSA-N 0 0 396.450 3.963 10 0 GHAERN CCc1nnc(OCC(=O)NCCC2=CCCCC2)c2cc3cc(F)ccc3n21 ZINC000006751095 204199981 /nfs/dbraw/zinc/19/99/81/204199981.db2.gz YVSKYYIFZATNRW-UHFFFAOYSA-N 0 0 396.466 3.970 10 0 GHAERN CCOC(=O)C1CCN(C(=O)c2cc3c(s2)-c2ccsc2CC3)CC1 ZINC000009527163 204314085 /nfs/dbraw/zinc/31/40/85/204314085.db2.gz NBEZEPKSECTHGW-UHFFFAOYSA-N 0 0 375.515 3.991 10 0 GHAERN Cn1ccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000011705995 204351034 /nfs/dbraw/zinc/35/10/34/204351034.db2.gz YOAQVUDOUFSMFC-LJQANCHMSA-N 0 0 380.467 3.722 10 0 GHAERN COc1cccc2c1O[C@@H]1[C@H](C2)C(=O)[C@@H]2Cc3cccc(OC)c3O[C@@H]2C1(C)C ZINC000011681891 204351717 /nfs/dbraw/zinc/35/17/17/204351717.db2.gz MTJTVTZUEKVNTG-YJEDKTMASA-N 0 0 394.467 3.852 10 0 in-man GHAERN Fc1ccc(N2CCCN(Cc3nc(COc4ccccc4)no3)CC2)cc1 ZINC000011937900 204364752 /nfs/dbraw/zinc/36/47/52/204364752.db2.gz UYJWHZXODVFKJV-UHFFFAOYSA-N 0 0 382.439 3.500 10 0 GHAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2ccc(=O)oc2)cc1 ZINC000012303621 204393166 /nfs/dbraw/zinc/39/31/66/204393166.db2.gz FXZIFEKXBUFEQB-SFHVURJKSA-N 0 0 377.444 3.577 10 0 GHAERN CN(Cc1cc(-c2ccccc2)no1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020541139 204725705 /nfs/dbraw/zinc/72/57/05/204725705.db2.gz DCTMJLFEIDKRKM-UHFFFAOYSA-N 0 0 390.399 3.752 10 0 GHAERN Cc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1S(N)(=O)=O ZINC000038001922 204777897 /nfs/dbraw/zinc/77/78/97/204777897.db2.gz CHKREGWLERWHJT-VIFPVBQESA-N 0 0 375.313 3.640 10 0 GHAERN COc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000036041535 205002883 /nfs/dbraw/zinc/00/28/83/205002883.db2.gz XSWSNRJEQRKDQV-FCHUYYIVSA-N 0 0 394.515 3.600 10 0 GHAERN CC(C)NC(=O)c1coc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)n1 ZINC000036082701 205004035 /nfs/dbraw/zinc/00/40/35/205004035.db2.gz LZVJPHVLNMJMDF-UHFFFAOYSA-N 0 0 381.398 3.996 10 0 GHAERN Cc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@H](c3cccn3C)C2)cc1C ZINC000036341906 205011140 /nfs/dbraw/zinc/01/11/40/205011140.db2.gz DGUIANCKGUPEMW-QFIPXVFZSA-N 0 0 378.520 3.806 10 0 GHAERN Nc1c(Nc2ccc(Br)cc2F)ncnc1Oc1cccnc1 ZINC000040797118 205072232 /nfs/dbraw/zinc/07/22/32/205072232.db2.gz AYLSLEQVZNINBX-UHFFFAOYSA-N 0 0 376.189 3.891 10 0 GHAERN O=S(=O)(c1cccs1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065169137 205214556 /nfs/dbraw/zinc/21/45/56/205214556.db2.gz DUESKWRNBPVCMC-UHFFFAOYSA-N 0 0 391.905 3.606 10 0 GHAERN CC(C)C(=O)NCc1csc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000065173282 205215731 /nfs/dbraw/zinc/21/57/31/205215731.db2.gz ZNFQYLDULFNOJG-HNNXBMFYSA-N 0 0 389.496 3.574 10 0 GHAERN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccs2)CC3)cc1 ZINC000064660384 205192050 /nfs/dbraw/zinc/19/20/50/205192050.db2.gz ZOOUDNGWBKODMI-UHFFFAOYSA-N 0 0 376.528 3.927 10 0 GHAERN CC(=O)n1nc(-c2ccc(F)cc2)c2cc(C(=O)NCc3ccncc3)ccc21 ZINC000211804468 205925974 /nfs/dbraw/zinc/92/59/74/205925974.db2.gz GBFMTJWONQLMSB-UHFFFAOYSA-N 0 0 388.402 3.828 10 0 GHAERN COc1ccc([C@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1Cl ZINC000504780705 533201578 /nfs/dbraw/zinc/20/15/78/533201578.db2.gz JZTGLGXJSLBZQA-CYBMUJFWSA-N 0 0 394.807 3.787 10 0 GHAERN Cc1ccccc1N1C(=O)CN(Cc2coc3ccc(Cl)cc3c2=O)C[C@@H]1C ZINC000064015623 136156684 /nfs/dbraw/zinc/15/66/84/136156684.db2.gz CMGQJHHNQZAEOJ-HNNXBMFYSA-N 0 0 396.874 3.992 10 0 GHAERN Cc1ccc(CNC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)o1 ZINC000064662802 136157372 /nfs/dbraw/zinc/15/73/72/136157372.db2.gz GWFXHTQPEAXQHL-IBGZPJMESA-N 0 0 390.487 3.886 10 0 GHAERN Cc1cc(C)cc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)c1 ZINC000064989420 136158554 /nfs/dbraw/zinc/15/85/54/136158554.db2.gz ANQLZIVXYDBQQW-UHFFFAOYSA-N 0 0 388.471 3.849 10 0 GHAERN COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC(=O)[C@]23C)cc1 ZINC000031168035 560090275 /nfs/dbraw/zinc/09/02/75/560090275.db2.gz UJYSKNUHBUUKAD-URHOCTSQSA-N 0 0 386.488 3.943 10 0 GHAERN CC(C)NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)s1 ZINC000020449080 570256502 /nfs/dbraw/zinc/25/65/02/570256502.db2.gz VCRJVAGPJUSJJE-AWEZNQCLSA-N 0 0 387.505 3.730 10 0 GHAERN CCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)Cc1ccc(F)cc1 ZINC000034793794 570336622 /nfs/dbraw/zinc/33/66/22/570336622.db2.gz HNNLVIHPAUAHBO-UHFFFAOYSA-N 0 0 383.423 3.977 10 0 GHAERN Cc1ccc(N2CCC[C@H](C(=O)C(C)C)C2=O)cc1I ZINC000536951555 570470124 /nfs/dbraw/zinc/47/01/24/570470124.db2.gz WNZKJMXNRGNQCI-CYBMUJFWSA-N 0 0 385.245 3.568 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1c1ccn(COCC[Si](C)(C)C)n1 ZINC000536953453 570470127 /nfs/dbraw/zinc/47/01/27/570470127.db2.gz HVZCUEZQJWRPMW-GDBMZVCRSA-N 0 0 383.565 3.550 10 0 GHAERN Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 ZINC000027229430 570646243 /nfs/dbraw/zinc/64/62/43/570646243.db2.gz UXJVAELVELZFPB-FOWTUZBSSA-N 0 0 385.514 3.564 10 0 GHAERN Cc1occc1C(=O)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000015062567 570723342 /nfs/dbraw/zinc/72/33/42/570723342.db2.gz SWJMCSRAVPIWCT-HSZRJFAPSA-N 0 0 380.488 3.676 10 0 GHAERN CC(C)(C)N=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065260046 570761781 /nfs/dbraw/zinc/76/17/81/570761781.db2.gz HYVZGNYABJOVFO-JOCHJYFZSA-N 0 0 377.492 3.600 10 0 GHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104281858 837394256 /nfs/dbraw/zinc/39/42/56/837394256.db2.gz QQTPPOKYABWXLU-GOSISDBHSA-N 0 0 376.416 3.977 10 0 GHAERN Cc1c(NC(=O)NC2CCN(c3cccc(C)n3)CC2)cnn1-c1ccccc1 ZINC000156924900 834648216 /nfs/dbraw/zinc/64/82/16/834648216.db2.gz QWYZZFCKTQZOBO-UHFFFAOYSA-N 0 0 390.491 3.675 10 0 GHAERN COc1ccccc1C/C(C)=C\C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000588612720 834874186 /nfs/dbraw/zinc/87/41/86/834874186.db2.gz CAPMHCXTNTWZHL-KGAUPUERSA-N 0 0 398.469 3.963 10 0 GHAERN Brc1ccc(Cc2nc(CN3CCO[C@@H]4CCCC[C@@H]43)no2)cc1 ZINC000111684079 834979745 /nfs/dbraw/zinc/97/97/45/834979745.db2.gz UUQLLWYUUJBLHU-JKSUJKDBSA-N 0 0 392.297 3.566 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)C3(c4cccc(C)c4)CCCC3)CC2)n1 ZINC000112035625 835017390 /nfs/dbraw/zinc/01/73/90/835017390.db2.gz NYIRZTAUZGICBB-SFHVURJKSA-N 0 0 396.535 3.658 10 0 GHAERN CCCc1c(C(=O)NC2CCN(c3ccc(C)cn3)CC2)[nH]c(C)c1C(C)=O ZINC000157825084 835112630 /nfs/dbraw/zinc/11/26/30/835112630.db2.gz CYJUAEBTEQLDOM-UHFFFAOYSA-N 0 0 382.508 3.580 10 0 GHAERN O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000329603649 835339085 /nfs/dbraw/zinc/33/90/85/835339085.db2.gz GMFJCMMIWCRKIA-DJPFJPOOSA-N 0 0 381.476 3.520 10 0 GHAERN CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)cc2)no1 ZINC000329607713 835361648 /nfs/dbraw/zinc/36/16/48/835361648.db2.gz CKPKZTQLYHKEEF-SFHVURJKSA-N 0 0 382.508 3.636 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1)c1nccs1 ZINC000159076406 835709365 /nfs/dbraw/zinc/70/93/65/835709365.db2.gz GBKCEBZXXKEBDB-ULQDDVLXSA-N 0 0 387.505 3.583 10 0 GHAERN C[C@H]1OCC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000136341894 835944552 /nfs/dbraw/zinc/94/45/52/835944552.db2.gz PROYNAAOVHCSBK-XCBNKYQSSA-N 0 0 378.064 3.511 10 0 GHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)c2csc3c2CC[C@@H](C)C3)o1 ZINC000275226474 836422858 /nfs/dbraw/zinc/42/28/58/836422858.db2.gz AFEOERDVIQRPQV-DOMZBBRYSA-N 0 0 375.494 3.593 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[C@@H](c3ccccc3F)C1)C2 ZINC000332811585 836674480 /nfs/dbraw/zinc/67/44/80/836674480.db2.gz MFLYEQYOMBQKHU-HZPDHXFCSA-N 0 0 384.499 3.834 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(F)c(F)cc2Br)[nH]1 ZINC000407979756 838369570 /nfs/dbraw/zinc/36/95/70/838369570.db2.gz FRNDEUPQYRQCIX-ZDUSSCGKSA-N 0 0 385.212 3.521 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N[C@@H]3CCC(=O)NC34CCC4)sc2C1 ZINC000407986200 838400462 /nfs/dbraw/zinc/40/04/62/838400462.db2.gz SCJLRXFTYUXYID-SWLSCSKDSA-N 0 0 390.553 3.617 10 0 GHAERN Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2cccc(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408062851 838501592 /nfs/dbraw/zinc/50/15/92/838501592.db2.gz OVWDUQIXIYJHMD-NVXWUHKLSA-N 0 0 384.451 3.565 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000179187351 838529791 /nfs/dbraw/zinc/52/97/91/838529791.db2.gz VTKVTRBBTSLCQS-QAPCUYQASA-N 0 0 383.517 3.854 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl)CCCC2 ZINC000408025391 838685632 /nfs/dbraw/zinc/68/56/32/838685632.db2.gz BGYUEWXRASESEZ-MRXNPFEDSA-N 0 0 397.903 3.617 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1Cl)CCCC2 ZINC000408029076 838706810 /nfs/dbraw/zinc/70/68/10/838706810.db2.gz WKAWDKHGECUNBQ-INIZCTEOSA-N 0 0 397.903 3.617 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000115633066 838722885 /nfs/dbraw/zinc/72/28/85/838722885.db2.gz WZMOFXIYKWCFJW-CQSZACIVSA-N 0 0 388.320 3.565 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1=O ZINC000246483853 844384075 /nfs/dbraw/zinc/38/40/75/844384075.db2.gz YOCDCBCVIXXYHO-WQZMEWCLSA-N 0 0 386.536 3.554 10 0 GHAERN Cc1nn(C)c2nc(C)cc(C(=O)N3C[C@H](c4ccccc4)OCC3(C)C)c12 ZINC000066512473 839208313 /nfs/dbraw/zinc/20/83/13/839208313.db2.gz IJUKPHKNKKNKMG-GOSISDBHSA-N 0 0 378.476 3.577 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106211149 840779050 /nfs/dbraw/zinc/77/90/50/840779050.db2.gz VGRKGXPIWFYTRV-PIYZVIGCSA-N 0 0 384.568 3.647 10 0 GHAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408129199 841072620 /nfs/dbraw/zinc/07/26/20/841072620.db2.gz XUWDVDZXZHONJF-BRWVUGGUSA-N 0 0 399.304 3.813 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCN3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952218 841157957 /nfs/dbraw/zinc/15/79/57/841157957.db2.gz IINLUJZIWFCBOV-SJORKVTESA-N 0 0 385.537 3.782 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3ccccc3C)C3CC3)C2)nn1 ZINC000332895521 844629180 /nfs/dbraw/zinc/62/91/80/844629180.db2.gz ZSBYZOWBOYAJSQ-NQIIRXRSSA-N 0 0 379.508 3.513 10 0 GHAERN CC(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000328784534 841394941 /nfs/dbraw/zinc/39/49/41/841394941.db2.gz VSEOVTJKPLNLKQ-ZGXWSNOMSA-N 0 0 382.508 3.547 10 0 GHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246464326 841651310 /nfs/dbraw/zinc/65/13/10/841651310.db2.gz AHJLFNZQRBCSBA-MKKLKVPQSA-N 0 0 378.513 3.803 10 0 GHAERN Cc1c2cccc(Br)c2oc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000408174915 841735533 /nfs/dbraw/zinc/73/55/33/841735533.db2.gz OIEUBHYDTGVGBY-AWEZNQCLSA-N 0 0 392.171 3.643 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c2ccccc21 ZINC000246500512 841760660 /nfs/dbraw/zinc/76/06/60/841760660.db2.gz HOSMZOPLBJZHGC-ZQMYSKGWSA-N 0 0 378.516 3.939 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)NC[C@H]3COc4ccccc4O3)c2C(C)C)cc1 ZINC000105971751 841848212 /nfs/dbraw/zinc/84/82/12/841848212.db2.gz YFLIWOFZRQIEGG-SFHVURJKSA-N 0 0 391.471 3.874 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccnc(N2CCCC2)n1 ZINC000329306834 861268272 /nfs/dbraw/zinc/26/82/72/861268272.db2.gz PIMUBOBJHUKMEB-SFHVURJKSA-N 0 0 378.476 3.643 10 0 GHAERN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)c1nccs1 ZINC000111614136 842125055 /nfs/dbraw/zinc/12/50/55/842125055.db2.gz NPBWQFNMFLKAQP-KXBFYZLASA-N 0 0 391.496 3.588 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)COc1ccc(Cl)cc1Cl ZINC000588433789 842430084 /nfs/dbraw/zinc/43/00/84/842430084.db2.gz HOXDGMIYJVMVJA-PLNGDYQASA-N 0 0 389.279 3.569 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000588434456 842494412 /nfs/dbraw/zinc/49/44/12/842494412.db2.gz KJRGEILOBXEBRT-SREVYHEPSA-N 0 0 376.472 3.835 10 0 GHAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000408328635 842513059 /nfs/dbraw/zinc/51/30/59/842513059.db2.gz BOTKYRMNWICCOM-KFWWJZLASA-N 0 0 391.478 3.690 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)no1 ZINC000329359144 861323391 /nfs/dbraw/zinc/32/33/91/861323391.db2.gz GJJQZNXJZPYPNX-CQSZACIVSA-N 0 0 397.456 3.855 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 ZINC000328856085 842672911 /nfs/dbraw/zinc/67/29/11/842672911.db2.gz XEUDWAHSBJTPMC-MRXNPFEDSA-N 0 0 385.468 3.847 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1 ZINC000588437806 842716214 /nfs/dbraw/zinc/71/62/14/842716214.db2.gz DIIMJQGORWGHAE-QXMHVHEDSA-N 0 0 398.466 3.650 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1F ZINC000588440162 842749317 /nfs/dbraw/zinc/74/93/17/842749317.db2.gz FFTZMCOSUYUHQN-NZHZHZHDSA-N 0 0 388.483 3.535 10 0 GHAERN Cc1nc(-c2cccc(C(=O)N3CCC(Cc4nccn4C)CC3)c2)cs1 ZINC000162722423 842855795 /nfs/dbraw/zinc/85/57/95/842855795.db2.gz FOAOJHOQSYWZCZ-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN COc1ccc([C@@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2nccn2C)cc1 ZINC000163138384 842967746 /nfs/dbraw/zinc/96/77/46/842967746.db2.gz JQWFXWJSEMAHHH-MRXNPFEDSA-N 0 0 385.855 3.697 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c(Cl)c1 ZINC000408376604 843212274 /nfs/dbraw/zinc/21/22/74/843212274.db2.gz XIKFSPHPSHPEPM-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN COc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1OCC(C)C ZINC000162541324 843272338 /nfs/dbraw/zinc/27/23/38/843272338.db2.gz FGQINEQBKAKROS-UHFFFAOYSA-N 0 0 385.508 3.558 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2ccc(Br)cc2)CC1 ZINC000162614382 843285166 /nfs/dbraw/zinc/28/51/66/843285166.db2.gz MNVIYZRJONTNAH-UHFFFAOYSA-N 0 0 390.325 3.597 10 0 GHAERN COC(=O)Cc1sc(NC(=O)/C=C/c2ncccc2C)nc1-c1ccccc1 ZINC000588452225 843308112 /nfs/dbraw/zinc/30/81/12/843308112.db2.gz IWGXOUWHTDCRIN-ZHACJKMWSA-N 0 0 393.468 3.881 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000588454973 843349916 /nfs/dbraw/zinc/34/99/16/843349916.db2.gz OWKSXQNSSRGHQL-FPLPWBNLSA-N 0 0 384.549 3.502 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000112306593 843351499 /nfs/dbraw/zinc/35/14/99/843351499.db2.gz XQTDJVNRCYRPCU-AZUAARDMSA-N 0 0 398.528 3.591 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000112307261 843352309 /nfs/dbraw/zinc/35/23/09/843352309.db2.gz IDUXTFBICMWTHQ-IRXDYDNUSA-N 0 0 388.920 3.880 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C[C@H](C)C1 ZINC000123893894 843457157 /nfs/dbraw/zinc/45/71/57/843457157.db2.gz BGPDRJVZVFRTQA-LSDHHAIUSA-N 0 0 381.542 3.663 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cncc(Br)c2)o1 ZINC000408235587 843495353 /nfs/dbraw/zinc/49/53/53/843495353.db2.gz JHJKVDHPCPAZCO-CQSZACIVSA-N 0 0 385.283 3.661 10 0 GHAERN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@H]43)c2)cc1 ZINC000330315789 843667731 /nfs/dbraw/zinc/66/77/31/843667731.db2.gz PSQIWCHVHDETGS-DYESRHJHSA-N 0 0 398.528 3.835 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)cc1 ZINC000330321146 843677928 /nfs/dbraw/zinc/67/79/28/843677928.db2.gz SCEZQTLGCJNBNX-UZLBHIALSA-N 0 0 384.501 3.810 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000332957285 844811170 /nfs/dbraw/zinc/81/11/70/844811170.db2.gz CLXIHBHGRAOQPO-NVXWUHKLSA-N 0 0 396.413 3.721 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000247810066 845021604 /nfs/dbraw/zinc/02/16/04/845021604.db2.gz URGWGCKSNIOYCJ-GDBMZVCRSA-N 0 0 383.521 3.811 10 0 GHAERN O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151654286 845415978 /nfs/dbraw/zinc/41/59/78/845415978.db2.gz YLSBZXKANMFPFC-UHFFFAOYSA-N 0 0 378.259 3.879 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000151656102 845420513 /nfs/dbraw/zinc/42/05/13/845420513.db2.gz YJCRZNYFGQLBEV-VSGCLNPGSA-N 0 0 376.407 3.667 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(CN2CCCC2=O)c1 ZINC000051870242 845443881 /nfs/dbraw/zinc/44/38/81/845443881.db2.gz DZHCCEAHHOHBBM-HSZRJFAPSA-N 0 0 385.467 3.723 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCCN(c3ccnn3C)C2)o1 ZINC000408446686 845495551 /nfs/dbraw/zinc/49/55/51/845495551.db2.gz OXBOSFAXUPLBST-ROUUACIJSA-N 0 0 385.512 3.617 10 0 GHAERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@@H](CCO)c1ccco1 ZINC000588488282 845622043 /nfs/dbraw/zinc/62/20/43/845622043.db2.gz YPDNDPCVEGPUAH-VJIACCKLSA-N 0 0 380.444 3.870 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333509492 845635676 /nfs/dbraw/zinc/63/56/76/845635676.db2.gz LUJKZLHTTVESEH-WKUQZLKGSA-N 0 0 395.503 3.626 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(OC2CCOCC2)cc1 ZINC000329542052 861625367 /nfs/dbraw/zinc/62/53/67/861625367.db2.gz DRXOQUZCKCJHHB-HXUWFJFHSA-N 0 0 383.492 3.572 10 0 GHAERN O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333611667 846722161 /nfs/dbraw/zinc/72/21/61/846722161.db2.gz SBJZIAOUDCBOQA-XXBNENTESA-N 0 0 375.472 3.997 10 0 GHAERN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128242968 846821436 /nfs/dbraw/zinc/82/14/36/846821436.db2.gz JGSCCDOKOGBHDZ-IAQYHMDHSA-N 0 0 397.846 3.675 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000045440049 847098001 /nfs/dbraw/zinc/09/80/01/847098001.db2.gz PTCIEOXXUUDDGU-SJORKVTESA-N 0 0 397.441 3.584 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c2ccccc21 ZINC000329610773 861772547 /nfs/dbraw/zinc/77/25/47/861772547.db2.gz JKUIOIIWSCSLKZ-NQIIRXRSSA-N 0 0 394.519 3.631 10 0 GHAERN CCC(=O)c1cccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000152571468 847338326 /nfs/dbraw/zinc/33/83/26/847338326.db2.gz KAOVCEJQRNBVIK-UHFFFAOYSA-N 0 0 385.508 3.926 10 0 GHAERN COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3c3nc(C)cs3)CC2=O)cc1 ZINC000329079793 847623102 /nfs/dbraw/zinc/62/31/02/847623102.db2.gz CEUDSNFUZGHOJH-MAUKXSAKSA-N 0 0 399.516 3.567 10 0 GHAERN COc1ccc(-n2nnc(C(=O)N3CCCC[C@@H]3c3nc(C)cs3)c2C)cc1 ZINC000329084670 847755234 /nfs/dbraw/zinc/75/52/34/847755234.db2.gz FVWBMXSXROMSRL-QGZVFWFLSA-N 0 0 397.504 3.717 10 0 GHAERN Cc1c(C(=O)NCc2cccc(-c3ccccn3)c2)cccc1N1CCNC1=O ZINC000152979131 847979570 /nfs/dbraw/zinc/97/95/70/847979570.db2.gz AWFQQTQSBATTND-UHFFFAOYSA-N 0 0 386.455 3.517 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329637646 861859011 /nfs/dbraw/zinc/85/90/11/861859011.db2.gz VQRRARODTXFEQG-QFUCXCTJSA-N 0 0 383.492 3.635 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N1CCC([C@@H]3CCCO3)CC1)O[C@@H](C)C2 ZINC000588552145 848485574 /nfs/dbraw/zinc/48/55/74/848485574.db2.gz PHYJNXFTEYXKDP-KVWGNXHNSA-N 0 0 385.504 3.840 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)CCO2)o1 ZINC000153555544 848647920 /nfs/dbraw/zinc/64/79/20/848647920.db2.gz HDIJUOXQLYZNGG-IBGZPJMESA-N 0 0 385.464 3.579 10 0 GHAERN Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@@]3(CCOC3)C2)cs1 ZINC000153590049 848697694 /nfs/dbraw/zinc/69/76/94/848697694.db2.gz SMKKMKOLGKHBFI-IRUYWQDXSA-N 0 0 384.501 3.683 10 0 GHAERN CCc1nnc(-c2ccc(NC(=O)N3CCO[C@@H](c4ccc(C)o4)C3)cc2)o1 ZINC000154319528 849239734 /nfs/dbraw/zinc/23/97/34/849239734.db2.gz FDNQDTDPNCMEIG-QGZVFWFLSA-N 0 0 382.420 3.806 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333659093 851401802 /nfs/dbraw/zinc/40/18/02/851401802.db2.gz WDDGHWQKIPUIRR-MWDXBVQZSA-N 0 0 376.463 3.938 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1C ZINC000101529743 851638607 /nfs/dbraw/zinc/63/86/07/851638607.db2.gz YSUKPHHLSAEILF-ROUUACIJSA-N 0 0 397.519 3.593 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCCCc2nc3ccccc3[nH]2)cc1C ZINC000101605709 851725003 /nfs/dbraw/zinc/72/50/03/851725003.db2.gz CRXUQKCHDBLDJL-UHFFFAOYSA-N 0 0 380.492 3.963 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000101765307 851875715 /nfs/dbraw/zinc/87/57/15/851875715.db2.gz IBTRQWHJBUCIQJ-ZIAGYGMSSA-N 0 0 381.467 3.608 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333872230 851883855 /nfs/dbraw/zinc/88/38/55/851883855.db2.gz USTKXNKWGDIZDO-JQHSSLGASA-N 0 0 386.492 3.510 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000101777957 851900782 /nfs/dbraw/zinc/90/07/82/851900782.db2.gz DKHSXHFYMFOLBK-FQEVSTJZSA-N 0 0 376.416 3.756 10 0 GHAERN Cc1noc(C)c1CSCC(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101843354 851952478 /nfs/dbraw/zinc/95/24/78/851952478.db2.gz NDYQYQZGAFKPIB-UHFFFAOYSA-N 0 0 383.477 3.826 10 0 GHAERN Cc1csc(Sc2ccc(NC(=O)C(=O)NCc3cccc(C)n3)cc2)n1 ZINC000102086468 852176852 /nfs/dbraw/zinc/17/68/52/852176852.db2.gz DRVLCWROBYSWAH-UHFFFAOYSA-N 0 0 398.513 3.561 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)c2o1 ZINC000333946618 853252487 /nfs/dbraw/zinc/25/24/87/853252487.db2.gz UVHKIEAJMAMWKG-GVXVVHGQSA-N 0 0 394.269 3.523 10 0 GHAERN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000334015643 853322549 /nfs/dbraw/zinc/32/25/49/853322549.db2.gz YPEVETSAHYTFLM-LZLYRXPVSA-N 0 0 380.419 3.867 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000171645263 853511211 /nfs/dbraw/zinc/51/12/11/853511211.db2.gz TUWFTEGPVUDICI-IAGOWNOFSA-N 0 0 398.532 3.793 10 0 GHAERN CC[C@@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCO1 ZINC000330066977 862548724 /nfs/dbraw/zinc/54/87/24/862548724.db2.gz FEANODRICARQGX-FZONSQQESA-N 0 0 395.503 3.822 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000330100517 862575421 /nfs/dbraw/zinc/57/54/21/862575421.db2.gz HUSNBMSRODDYLA-ABSDTBQOSA-N 0 0 386.879 3.883 10 0 GHAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248023437 854550086 /nfs/dbraw/zinc/55/00/86/854550086.db2.gz OFKNTODOUPZXNY-ZUZCIYMTSA-N 0 0 398.739 3.963 10 0 GHAERN O=C([C@H]1CCCc2sccc21)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 ZINC000328834495 854568655 /nfs/dbraw/zinc/56/86/55/854568655.db2.gz SAZLEYFWFRROIO-IRXDYDNUSA-N 0 0 395.484 3.818 10 0 GHAERN CCC1(CC)CCCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000188530054 854844769 /nfs/dbraw/zinc/84/47/69/854844769.db2.gz BWUKHESCMRODQT-KRWDZBQOSA-N 0 0 378.538 3.907 10 0 GHAERN FC(F)(F)c1ccc(-c2nc(CN3CCC(n4cncn4)CC3)co2)cc1 ZINC000165271272 854993177 /nfs/dbraw/zinc/99/31/77/854993177.db2.gz SGPNBKBKUNZBTB-UHFFFAOYSA-N 0 0 377.370 3.789 10 0 GHAERN C[C@H]1C[C@@H](c2nc(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)no2)CCC1=O ZINC000330204887 862660875 /nfs/dbraw/zinc/66/08/75/862660875.db2.gz CZLLZKPBFYCHJC-QWRGUYRKSA-N 0 0 398.488 3.722 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000191052958 855563350 /nfs/dbraw/zinc/56/33/50/855563350.db2.gz INYZKHXZAHXWIF-RHSMWYFYSA-N 0 0 380.916 3.749 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248055859 855737230 /nfs/dbraw/zinc/73/72/30/855737230.db2.gz XIHCKBZJABPLIR-WFASDCNBSA-N 0 0 397.846 3.675 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@H]1C ZINC000192418161 855811117 /nfs/dbraw/zinc/81/11/17/855811117.db2.gz INVRVDIWSOMIRV-TZMCWYRMSA-N 0 0 383.286 3.729 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC1(c3ccccc3)CCCC1)CC2 ZINC000155728709 862793596 /nfs/dbraw/zinc/79/35/96/862793596.db2.gz UOTMISGBOYNHGT-GOSISDBHSA-N 0 0 381.524 3.528 10 0 GHAERN CCC[N@H+](Cc1nc(-c2ccoc2)no1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000105609051 856890971 /nfs/dbraw/zinc/89/09/71/856890971.db2.gz AIQFVPSEZBFVAN-UHFFFAOYSA-N 0 0 394.475 3.846 10 0 GHAERN Cn1cncc1[C@@H]1C[C@@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189151 857200587 /nfs/dbraw/zinc/20/05/87/857200587.db2.gz RVUSQSPYUGSIIL-BBRMVZONSA-N 0 0 389.525 3.577 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN1C(=O)c1ccco1 ZINC000057603142 857219910 /nfs/dbraw/zinc/21/99/10/857219910.db2.gz CSQRMVMQRPZYFJ-OAHLLOKOSA-N 0 0 382.416 3.564 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cc2c([nH]c1=O)CCCC2 ZINC000129830434 857900656 /nfs/dbraw/zinc/90/06/56/857900656.db2.gz YXHQHVLXSWHPON-IBGZPJMESA-N 0 0 378.472 3.820 10 0 GHAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000267424297 859164322 /nfs/dbraw/zinc/16/43/22/859164322.db2.gz QGOZQQLGNFMVQA-HXUWFJFHSA-N 0 0 378.520 3.790 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCCN1C1CCCC1 ZINC000193576439 859174416 /nfs/dbraw/zinc/17/44/16/859174416.db2.gz YOCOQEQJYWQUEC-PMACEKPBSA-N 0 0 384.520 3.583 10 0 GHAERN CN1CCc2ccc(NC(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2C1=O ZINC000136467621 859504066 /nfs/dbraw/zinc/50/40/66/859504066.db2.gz IQCCQBXEFNYWNZ-SFHVURJKSA-N 0 0 379.460 3.739 10 0 GHAERN CCOc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000105378606 859819440 /nfs/dbraw/zinc/81/94/40/859819440.db2.gz COVAAGOTQOTCSN-AEFFLSMTSA-N 0 0 396.487 3.633 10 0 GHAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1)c1ccc2c(c1)OCCO2 ZINC000163841958 859941573 /nfs/dbraw/zinc/94/15/73/859941573.db2.gz DNJWYCIUGFPPSZ-BIENJYKASA-N 0 0 388.489 3.752 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCc1nc2ccccc2[nH]1 ZINC000010432491 860034858 /nfs/dbraw/zinc/03/48/58/860034858.db2.gz KCVRMMLZQINWIC-UHFFFAOYSA-N 0 0 378.407 3.649 10 0 GHAERN COCc1cccc(C(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000021533165 860236691 /nfs/dbraw/zinc/23/66/91/860236691.db2.gz YXDPZVSBJJRAEY-UHFFFAOYSA-N 0 0 393.409 3.599 10 0 GHAERN NC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000024385303 860322837 /nfs/dbraw/zinc/32/28/37/860322837.db2.gz AAQQVUAZYPUAAA-KRWDZBQOSA-N 0 0 394.500 3.832 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CCO2)c1 ZINC000171918870 860430419 /nfs/dbraw/zinc/43/04/19/860430419.db2.gz JAFDBRRLOUXMDI-RTWAWAEBSA-N 0 0 382.508 3.533 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)C12CCCC2 ZINC000172637644 860434820 /nfs/dbraw/zinc/43/48/20/860434820.db2.gz LITSESBEKRCNMX-QZTJIDSGSA-N 0 0 388.533 3.931 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173888401 860444464 /nfs/dbraw/zinc/44/44/64/860444464.db2.gz VEACQJVYUBEZEP-MRXNPFEDSA-N 0 0 393.915 3.600 10 0 GHAERN COc1ccc(OC)c([C@H]2CCCN2Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000102694918 860570492 /nfs/dbraw/zinc/57/04/92/860570492.db2.gz CMVSDLVAJQJGBU-MRXNPFEDSA-N 0 0 399.516 3.956 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)C2)n1 ZINC000173065930 860618233 /nfs/dbraw/zinc/61/82/33/860618233.db2.gz QOJGAMIAMSRDIA-GXTWGEPZSA-N 0 0 387.530 3.904 10 0 GHAERN Cc1nnc([C@H]2CN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CCO2)[nH]1 ZINC000173085625 860748974 /nfs/dbraw/zinc/74/89/74/860748974.db2.gz GCEUXEHFUMVVKM-HUUCEWRRSA-N 0 0 388.537 3.539 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000102695956 860820900 /nfs/dbraw/zinc/82/09/00/860820900.db2.gz RRTPAKXHCVOOPH-KBPBESRZSA-N 0 0 376.884 3.885 10 0 GHAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1scnc1-c1ccccc1 ZINC000102759273 860850133 /nfs/dbraw/zinc/85/01/33/860850133.db2.gz IOAXMJQCWRVZMO-UHFFFAOYSA-N 0 0 392.889 3.876 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3nc(-c4ccccc4)no3)o2)cc1 ZINC000102946499 860913340 /nfs/dbraw/zinc/91/33/40/860913340.db2.gz GHZWAZGAXLECKQ-MUUNZHRXSA-N 0 0 395.440 3.849 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000329009169 860944494 /nfs/dbraw/zinc/94/44/94/860944494.db2.gz ZWWCAFZSWHOHFT-NZSAHSFTSA-N 0 0 389.521 3.593 10 0 GHAERN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3ccncc3)C2=O)c1 ZINC000103086515 863891247 /nfs/dbraw/zinc/89/12/47/863891247.db2.gz BPZNCTBBMPMBBA-GOTSBHOMSA-N 0 0 399.494 3.957 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccnc(N4CCCC4)c3)c21 ZINC000103178059 863902478 /nfs/dbraw/zinc/90/24/78/863902478.db2.gz UBAUCNPICFOFFD-UHFFFAOYSA-N 0 0 377.492 3.513 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)c21 ZINC000103128754 863926175 /nfs/dbraw/zinc/92/61/75/863926175.db2.gz ZIKIKPKMQDYOHR-HXUWFJFHSA-N 0 0 391.471 3.566 10 0 GHAERN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000103272863 863937075 /nfs/dbraw/zinc/93/70/75/863937075.db2.gz NDMONTSWDICSDS-UHFFFAOYSA-N 0 0 391.818 3.941 10 0 GHAERN Cc1ccc(C(C)(C)CNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000103316477 863956430 /nfs/dbraw/zinc/95/64/30/863956430.db2.gz PKXPQEXLZJZALC-SFHVURJKSA-N 0 0 387.568 3.855 10 0 GHAERN COc1ccc([C@H](C)NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1F ZINC000103361582 863970132 /nfs/dbraw/zinc/97/01/32/863970132.db2.gz WNDDLSAZUNRHMP-NSHDSACASA-N 0 0 388.830 3.868 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000103853301 864067592 /nfs/dbraw/zinc/06/75/92/864067592.db2.gz CQRFEJPVFBQXHN-UHFFFAOYSA-N 0 0 395.503 3.818 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N(Cc1ccco1)Cc1cccs1 ZINC000103732876 864074869 /nfs/dbraw/zinc/07/48/69/864074869.db2.gz KZLJUKLVTCTCQO-UHFFFAOYSA-N 0 0 399.863 3.813 10 0 GHAERN C[C@@H](CC(=O)N(Cc1ccco1)C1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000103750543 864081981 /nfs/dbraw/zinc/08/19/81/864081981.db2.gz AQYWCMIZWLPAID-HNNXBMFYSA-N 0 0 393.480 3.942 10 0 GHAERN COc1ccc(N(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)[C@H](C)C2CC2)cc1 ZINC000103942877 864093620 /nfs/dbraw/zinc/09/36/20/864093620.db2.gz XROUKOZVFAKJOC-KGLIPLIRSA-N 0 0 380.444 3.860 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000104461146 864326179 /nfs/dbraw/zinc/32/61/79/864326179.db2.gz AXWVYWJEVLLMJO-UHFFFAOYSA-N 0 0 393.487 3.768 10 0 GHAERN O=C(CSc1ccc(F)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000104785290 864640363 /nfs/dbraw/zinc/64/03/63/864640363.db2.gz BRZSTTWQNAQXAY-UHFFFAOYSA-N 0 0 384.929 3.977 10 0 GHAERN CCCCCN(Cc1ccc(F)cc1)C(=O)Cn1cnc2ccccc2c1=O ZINC000104796486 864651317 /nfs/dbraw/zinc/65/13/17/864651317.db2.gz OYABXLAZEPSVAW-UHFFFAOYSA-N 0 0 381.451 3.755 10 0 GHAERN Cc1ccc(CN2C[C@@H](C(=O)N[C@H](c3ccco3)c3ccccc3)CC2=O)cc1 ZINC000105003058 864805158 /nfs/dbraw/zinc/80/51/58/864805158.db2.gz PGCYFGWUUFZBAN-REWPJTCUSA-N 0 0 388.467 3.842 10 0 GHAERN COc1cccc(CNC(=O)N(Cc2cccnc2)Cc2ccccc2C)n1 ZINC000102013966 866596736 /nfs/dbraw/zinc/59/67/36/866596736.db2.gz TXODMSKFBZKJHN-UHFFFAOYSA-N 0 0 376.460 3.706 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)n1 ZINC000111416568 866682946 /nfs/dbraw/zinc/68/29/46/866682946.db2.gz ONLUOSDQEJFEHV-CQSZACIVSA-N 0 0 383.279 3.740 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000111832718 866707873 /nfs/dbraw/zinc/70/78/73/866707873.db2.gz MATKQGTWFDUFSZ-JKSUJKDBSA-N 0 0 399.539 3.825 10 0 GHAERN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113889816 866760663 /nfs/dbraw/zinc/76/06/63/866760663.db2.gz PCIDMXPZTQHCOH-PXNSSMCTSA-N 0 0 388.471 3.670 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000114574052 866768102 /nfs/dbraw/zinc/76/81/02/866768102.db2.gz VVSSVXRKRULDFK-QGZVFWFLSA-N 0 0 382.493 3.924 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H](C)CCC3CCCCC3)CC2)n1 ZINC000115848276 866785960 /nfs/dbraw/zinc/78/59/60/866785960.db2.gz OAVWIYHANAPTEX-HOTGVXAUSA-N 0 0 377.533 3.515 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890081 882068099 /nfs/dbraw/zinc/06/80/99/882068099.db2.gz QOQXNWOOZIAPTO-MRXNPFEDSA-N 0 0 382.489 3.922 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2CCC(Cc3ccccn3)CC2)c(C)n1 ZINC000171615570 882116481 /nfs/dbraw/zinc/11/64/81/882116481.db2.gz UZUVLSPAJUQNAO-UHFFFAOYSA-N 0 0 384.549 3.624 10 0 GHAERN Cc1nc2cc(F)cc(C(=O)N3CCC(Cc4ccccn4)CC3)c2nc1C ZINC000171612745 882145794 /nfs/dbraw/zinc/14/57/94/882145794.db2.gz DUDOQQRUIGMBEG-UHFFFAOYSA-N 0 0 378.451 3.876 10 0 GHAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@@H](c2nccs2)C1 ZINC000171777481 882160189 /nfs/dbraw/zinc/16/01/89/882160189.db2.gz OVEFDSGAVHWXSR-SNVBAGLBSA-N 0 0 391.294 3.802 10 0 GHAERN COc1ccc(Cc2noc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000171799136 882161718 /nfs/dbraw/zinc/16/17/18/882161718.db2.gz CVVPIWMPWBKRER-UHFFFAOYSA-N 0 0 395.434 3.828 10 0 GHAERN Cc1ccc(C2(C(=O)N3CCC(Cc4ccccn4)CC3)CCOCC2)cc1 ZINC000171819886 882163041 /nfs/dbraw/zinc/16/30/41/882163041.db2.gz RYOYTVRCWHNVSY-UHFFFAOYSA-N 0 0 378.516 3.920 10 0 GHAERN CC1(C)C[C@@H](NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c2ccccc2O1 ZINC000121658765 882202209 /nfs/dbraw/zinc/20/22/09/882202209.db2.gz JDEBMMJYTPDHFB-TZIWHRDSSA-N 0 0 398.478 3.618 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172464369 882279213 /nfs/dbraw/zinc/27/92/13/882279213.db2.gz CFWKCNVHEZXRBK-RTWAWAEBSA-N 0 0 387.439 3.719 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c(OC)c1 ZINC000172636100 882281120 /nfs/dbraw/zinc/28/11/20/882281120.db2.gz FSUDAHRDCQRAPO-WIYYLYMNSA-N 0 0 398.503 3.717 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000092149234 882282612 /nfs/dbraw/zinc/28/26/12/882282612.db2.gz HUEHRSDDOVKPIS-UHFFFAOYSA-N 0 0 380.945 3.607 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000172540184 882293862 /nfs/dbraw/zinc/29/38/62/882293862.db2.gz DRWZFLOZPVCSRK-LJQANCHMSA-N 0 0 390.443 3.723 10 0 GHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172534305 882294254 /nfs/dbraw/zinc/29/42/54/882294254.db2.gz MMIBOOUXCGEGMY-CYBMUJFWSA-N 0 0 390.399 3.641 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)n1 ZINC000173066100 882318612 /nfs/dbraw/zinc/31/86/12/882318612.db2.gz YPPKAGZNLWAERZ-SFHVURJKSA-N 0 0 383.517 3.594 10 0 GHAERN CN1C(=O)CCc2cc(NC(=O)N3CCC(Nc4ccccc4F)CC3)ccc21 ZINC000173094271 882320696 /nfs/dbraw/zinc/32/06/96/882320696.db2.gz MYIMGFHMZVHMRF-UHFFFAOYSA-N 0 0 396.466 3.843 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)nc1 ZINC000172962077 882325999 /nfs/dbraw/zinc/32/59/99/882325999.db2.gz ZZPXQBXZPPGOMZ-UHFFFAOYSA-N 0 0 393.516 3.637 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NCC(C)(C)c3ccncc3)C2)c1 ZINC000092363541 882338249 /nfs/dbraw/zinc/33/82/49/882338249.db2.gz SUQQATZOFWYGOO-INIZCTEOSA-N 0 0 383.492 3.576 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)cc1 ZINC000173754441 882372098 /nfs/dbraw/zinc/37/20/98/882372098.db2.gz MTMZUIFUAIOCLQ-PBHICJAKSA-N 0 0 379.460 3.990 10 0 GHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000126619945 870134755 /nfs/dbraw/zinc/13/47/55/870134755.db2.gz GWKQHVYWLUEWCO-KRWDZBQOSA-N 0 0 395.532 3.879 10 0 GHAERN CCc1c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000186157267 870226829 /nfs/dbraw/zinc/22/68/29/870226829.db2.gz BWTTXFHROWIMGR-QVKFZJNVSA-N 0 0 387.911 3.855 10 0 GHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187660323 870259098 /nfs/dbraw/zinc/25/90/98/870259098.db2.gz MDTSWCZYWNHJTI-OALUTQOASA-N 0 0 392.927 3.512 10 0 GHAERN Cc1c(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cccc1N1CCNC1=O ZINC000173875713 882411581 /nfs/dbraw/zinc/41/15/81/882411581.db2.gz HSEODXFYJKWDPR-OAHLLOKOSA-N 0 0 390.443 3.671 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc4ccc(F)cc4nc3C)C2)c1 ZINC000102382779 882415007 /nfs/dbraw/zinc/41/50/07/882415007.db2.gz AHRDXZHZIIPNSZ-INIZCTEOSA-N 0 0 393.462 3.947 10 0 GHAERN O=C([C@@H]1CCCN(CC(F)(F)F)C1)N1CCC(Nc2ccccc2F)CC1 ZINC000174083619 882422503 /nfs/dbraw/zinc/42/25/03/882422503.db2.gz DXZVCVZPPJGJEJ-CQSZACIVSA-N 0 0 387.421 3.503 10 0 GHAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174076446 882422576 /nfs/dbraw/zinc/42/25/76/882422576.db2.gz KUAKFGKYKFMLSJ-MRXNPFEDSA-N 0 0 384.451 3.899 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174082841 882422814 /nfs/dbraw/zinc/42/28/14/882422814.db2.gz PYDWRPVXFWXULX-UHFFFAOYSA-N 0 0 383.467 3.634 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC(Nc4ccccc4F)CC3)cc2NC1=O ZINC000174085773 882423847 /nfs/dbraw/zinc/42/38/47/882423847.db2.gz CXGFUMXUVQXLJY-ZDUSSCGKSA-N 0 0 399.491 3.975 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CCO2)n1 ZINC000153187669 870735936 /nfs/dbraw/zinc/73/59/36/870735936.db2.gz QZLITLBSNVFOFC-XERREHJYSA-N 0 0 382.508 3.549 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(Nc2cccnn2)CC1 ZINC000114861486 870904922 /nfs/dbraw/zinc/90/49/22/870904922.db2.gz GXPYGYJOUIWGBN-VOTSOKGWSA-N 0 0 376.382 3.612 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000174364455 882457350 /nfs/dbraw/zinc/45/73/50/882457350.db2.gz HBYMTCJSDJKSRS-JKSUJKDBSA-N 0 0 380.579 3.733 10 0 GHAERN CN(Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174786442 882502486 /nfs/dbraw/zinc/50/24/86/882502486.db2.gz UMQYDOGXSUNPSW-RDJZCZTQSA-N 0 0 382.913 3.783 10 0 GHAERN O=C(Nc1ccc(-n2cccn2)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175041442 882518451 /nfs/dbraw/zinc/51/84/51/882518451.db2.gz NMXHVLCCIQCYNW-UHFFFAOYSA-N 0 0 380.427 3.515 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(N4CCOC4=O)cc3)c21 ZINC000103236542 871509781 /nfs/dbraw/zinc/50/97/81/871509781.db2.gz DMRNCTNVXTVALX-UHFFFAOYSA-N 0 0 378.432 3.797 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174872517 882533913 /nfs/dbraw/zinc/53/39/13/882533913.db2.gz GUMLYFJCVDYHDA-UHFFFAOYSA-N 0 0 387.455 3.959 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000101635919 872150773 /nfs/dbraw/zinc/15/07/73/872150773.db2.gz ILMPOTYNRCHMEB-UHFFFAOYSA-N 0 0 384.867 3.765 10 0 GHAERN COc1ccc(CN(C(=O)[C@H]2Cc3ccccc3O2)c2nccs2)c(OC)c1 ZINC000175554975 882595863 /nfs/dbraw/zinc/59/58/63/882595863.db2.gz IJPGWUCDGZNZAW-LJQANCHMSA-N 0 0 396.468 3.697 10 0 GHAERN O=C(/C=C/c1ccc(Br)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175505936 882589931 /nfs/dbraw/zinc/58/99/31/882589931.db2.gz FREBVQVCFFJFPS-KRZKXXONSA-N 0 0 394.309 3.649 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCCOc3ccccc3)C2)o1 ZINC000102142712 872638906 /nfs/dbraw/zinc/63/89/06/872638906.db2.gz CRTSZOHJDLXYKP-GOSISDBHSA-N 0 0 385.460 3.843 10 0 GHAERN CC(C)(C)COC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000102145092 872642279 /nfs/dbraw/zinc/64/22/79/872642279.db2.gz KZOBOBKBZWVIPY-UHFFFAOYSA-N 0 0 382.298 3.891 10 0 GHAERN CC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)Cc2ccccc2C1 ZINC000094099970 882671901 /nfs/dbraw/zinc/67/19/01/882671901.db2.gz PYLRKHWVWXFMBK-UHFFFAOYSA-N 0 0 382.529 3.522 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000176626490 882720196 /nfs/dbraw/zinc/72/01/96/882720196.db2.gz DHAVFWKSVJXSJX-GOSISDBHSA-N 0 0 389.496 3.639 10 0 GHAERN CC(=O)NCc1ccc(C(=O)Oc2ccc(Br)cc2C(C)=O)s1 ZINC000102711165 873471885 /nfs/dbraw/zinc/47/18/85/873471885.db2.gz PBTJPUPFBJSBQK-UHFFFAOYSA-N 0 0 396.262 3.569 10 0 GHAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C ZINC000102743989 873525274 /nfs/dbraw/zinc/52/52/74/873525274.db2.gz IZQZTILGVMLROT-FOIQADDNSA-N 0 0 384.501 3.995 10 0 GHAERN Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116669882 873614141 /nfs/dbraw/zinc/61/41/41/873614141.db2.gz AOEPYFRBEUEBNV-UHFFFAOYSA-N 0 0 396.516 3.743 10 0 GHAERN COc1ccc(N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000176881985 882747339 /nfs/dbraw/zinc/74/73/39/882747339.db2.gz QFKJPOMNHUGHQH-UHFFFAOYSA-N 0 0 392.908 3.925 10 0 GHAERN COc1ccccc1CC1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000102410381 882783250 /nfs/dbraw/zinc/78/32/50/882783250.db2.gz BAGHHHQQCUMZPE-UHFFFAOYSA-N 0 0 376.504 3.945 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000117783736 874161793 /nfs/dbraw/zinc/16/17/93/874161793.db2.gz NTTHIKDSRLFQHQ-VLIAUNLRSA-N 0 0 379.485 3.819 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N1CC=C(c2cccs2)CC1 ZINC000118014811 874317930 /nfs/dbraw/zinc/31/79/30/874317930.db2.gz MNQDRJUASHMCMC-UHFFFAOYSA-N 0 0 397.544 3.944 10 0 GHAERN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178225519 882876473 /nfs/dbraw/zinc/87/64/73/882876473.db2.gz WCHSOPSKVRRBIU-OAHLLOKOSA-N 0 0 384.501 3.723 10 0 GHAERN O=C(c1cccs1)N1CCC(c2nc(COc3ccc(F)cc3)no2)CC1 ZINC000178501030 882898751 /nfs/dbraw/zinc/89/87/51/882898751.db2.gz WFBNSAYYGDVKFR-UHFFFAOYSA-N 0 0 387.436 3.869 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1nc2ccccc2[nH]1 ZINC000178398348 882909191 /nfs/dbraw/zinc/90/91/91/882909191.db2.gz WMZFILNVNHXVJV-QFBILLFUSA-N 0 0 379.464 3.518 10 0 GHAERN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178715386 882915317 /nfs/dbraw/zinc/91/53/17/882915317.db2.gz MHNPAKNYLQBYMT-ICSRJNTNSA-N 0 0 386.879 3.713 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)n1 ZINC000120132528 875596772 /nfs/dbraw/zinc/59/67/72/875596772.db2.gz PRTJEOMVFKYXSU-GFCCVEGCSA-N 0 0 397.857 3.534 10 0 GHAERN O=C(Nc1ccccc1O[C@@H]1CCOC1)NC1CCN(c2cccs2)CC1 ZINC000120352085 875944742 /nfs/dbraw/zinc/94/47/42/875944742.db2.gz NYDCUYKPTZYPJE-MRXNPFEDSA-N 0 0 387.505 3.706 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000179510181 883005097 /nfs/dbraw/zinc/00/50/97/883005097.db2.gz YQTWZHWCCSQQEP-UHFFFAOYSA-N 0 0 395.507 3.579 10 0 GHAERN COc1ccc2[nH]cc(C3=CCN(C(=O)C[C@H](O)c4ccccc4)CC3)c2c1 ZINC000179694374 883018778 /nfs/dbraw/zinc/01/87/78/883018778.db2.gz INQUYGYYQFPBJQ-QFIPXVFZSA-N 0 0 376.456 3.916 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccncc1 ZINC000120851982 876319738 /nfs/dbraw/zinc/31/97/38/876319738.db2.gz RTLYKEUARNFWKB-SJCJKPOMSA-N 0 0 392.286 3.870 10 0 GHAERN O=C(/C=C/c1ccccc1OC(F)F)N1CCC(c2nnc3ccccn32)CC1 ZINC000022306554 876324561 /nfs/dbraw/zinc/32/45/61/876324561.db2.gz GNJYFCKCYYGCQN-CMDGGOBGSA-N 0 0 398.413 3.750 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000179767695 883026672 /nfs/dbraw/zinc/02/66/72/883026672.db2.gz JTHNANRKGZKWMZ-UHFFFAOYSA-N 0 0 390.915 3.753 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000179929274 883038516 /nfs/dbraw/zinc/03/85/16/883038516.db2.gz CVYNOZKBRCGSBD-OKZBNKHCSA-N 0 0 392.862 3.589 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000180032188 883046752 /nfs/dbraw/zinc/04/67/52/883046752.db2.gz ACDSNSJBTHYDHP-RJRNSMGGSA-N 0 0 392.499 3.652 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N(C)CCCc2cc(-c3ccccc3)no2)o1 ZINC000180152984 883063555 /nfs/dbraw/zinc/06/35/55/883063555.db2.gz PNDBZOHUKRAPMN-VAWYXSNFSA-N 0 0 380.448 3.952 10 0 GHAERN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@H]1CCO[C@@H]1C)CC2 ZINC000129727570 877645859 /nfs/dbraw/zinc/64/58/59/877645859.db2.gz ZKWDKMIFEXVSLV-MPHOGZCYSA-N 0 0 396.487 3.538 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3sc(-c4cnn(C)c4)nc3C)C2)cc1 ZINC000121921770 878046290 /nfs/dbraw/zinc/04/62/90/878046290.db2.gz FUEGBCQOWLDACT-XJKSGUPXSA-N 0 0 396.516 3.879 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 ZINC000122018761 878228073 /nfs/dbraw/zinc/22/80/73/878228073.db2.gz HPQGEUZMKWSZPA-UHFFFAOYSA-N 0 0 376.460 3.702 10 0 GHAERN CC(C)c1cc(C(=O)N2CCC(Cc3nccn3C)CC2)nn1-c1ccccc1 ZINC000122048967 878242254 /nfs/dbraw/zinc/24/22/54/878242254.db2.gz RWXLZNYTTUBUKB-UHFFFAOYSA-N 0 0 391.519 3.824 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000122360609 878774369 /nfs/dbraw/zinc/77/43/69/878774369.db2.gz COSRVHDJGBQKLJ-FOIQADDNSA-N 0 0 378.472 3.622 10 0 GHAERN C[C@@H]1C[C@H](CC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC(C)(C)C1 ZINC000135506019 879294370 /nfs/dbraw/zinc/29/43/70/879294370.db2.gz YWSCXVUQHRWPTN-IAGOWNOFSA-N 0 0 388.556 3.834 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000122940118 879743226 /nfs/dbraw/zinc/74/32/26/879743226.db2.gz NASKNLZTSOYSQO-HZPDHXFCSA-N 0 0 375.490 3.559 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025532031 879851961 /nfs/dbraw/zinc/85/19/61/879851961.db2.gz BASRNFNAYCYKPW-LJQANCHMSA-N 0 0 395.459 3.695 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000181050295 883120286 /nfs/dbraw/zinc/12/02/86/883120286.db2.gz YLZHNJGLZQTYFS-UHFFFAOYSA-N 0 0 398.875 3.695 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)C3(c4ccccc4)CCOCC3)CC2)nc1 ZINC000181569513 883164128 /nfs/dbraw/zinc/16/41/28/883164128.db2.gz JUXBTDYLYZBQHK-UHFFFAOYSA-N 0 0 380.488 3.508 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@H]3c4cc(C)ccc4C[C@H]3C)CC2)no1 ZINC000181912001 883191667 /nfs/dbraw/zinc/19/16/67/883191667.db2.gz LFCYOHBNMDFHPT-JLTOFOAXSA-N 0 0 396.491 3.585 10 0 GHAERN COc1ccccc1[C@@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1noc(C)n1 ZINC000182041836 883200735 /nfs/dbraw/zinc/20/07/35/883200735.db2.gz WVDVNGMGFXJYNG-SPLOXXLWSA-N 0 0 395.459 3.988 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NCc2cccc(NC(C)=O)c2)CC1 ZINC000102446988 883217865 /nfs/dbraw/zinc/21/78/65/883217865.db2.gz DABVXXUIXLVEPW-UHFFFAOYSA-N 0 0 395.503 3.818 10 0 GHAERN O=C(CN1CCCC[C@@H]1c1nc[nH]n1)Nc1c(Cl)cccc1C(F)(F)F ZINC000182760590 883235195 /nfs/dbraw/zinc/23/51/95/883235195.db2.gz LSSHAMMQJSNKQL-GFCCVEGCSA-N 0 0 387.793 3.643 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184010572 883296338 /nfs/dbraw/zinc/29/63/38/883296338.db2.gz UFZJASFCVGKJPD-OAQYLSRUSA-N 0 0 383.467 3.769 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC[C@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000184009742 883296686 /nfs/dbraw/zinc/29/66/86/883296686.db2.gz RFJFDYDCCLVPCF-VGOFRKELSA-N 0 0 395.478 3.648 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000184009726 883296706 /nfs/dbraw/zinc/29/67/06/883296706.db2.gz RFJFDYDCCLVPCF-VGSWGCGISA-N 0 0 395.478 3.648 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC(C)(C)CC(C)C)c2ccc(F)cc2C1 ZINC000184008702 883297360 /nfs/dbraw/zinc/29/73/60/883297360.db2.gz QUXBDDKAXCERJT-IBGZPJMESA-N 0 0 377.504 3.991 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184015840 883298780 /nfs/dbraw/zinc/29/87/80/883298780.db2.gz HTYLVHXSNDBSMP-ZHRRBRCNSA-N 0 0 397.494 3.858 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC2(CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000184018885 883299340 /nfs/dbraw/zinc/29/93/40/883299340.db2.gz TXPDSQJQIBPLMX-LJQANCHMSA-N 0 0 375.488 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184025041 883300031 /nfs/dbraw/zinc/30/00/31/883300031.db2.gz QWUXRAIATAHQCC-NRFANRHFSA-N 0 0 383.467 3.503 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184038664 883302955 /nfs/dbraw/zinc/30/29/55/883302955.db2.gz MLSWCMUYOSAJAK-FGZHOGPDSA-N 0 0 395.478 3.996 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183900745 883308958 /nfs/dbraw/zinc/30/89/58/883308958.db2.gz GKSYSLWUYWKBEX-VGSWGCGISA-N 0 0 391.515 3.764 10 0 GHAERN CCN(CC1CC1)S(=O)(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000183956657 883314081 /nfs/dbraw/zinc/31/40/81/883314081.db2.gz YPENUUWFQVUZKE-IBGZPJMESA-N 0 0 393.940 3.733 10 0 GHAERN CC(=O)N1CC[C@H](N[C@@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513665 883350319 /nfs/dbraw/zinc/35/03/19/883350319.db2.gz LBPANQWHYVOCHD-LIRRHRJNSA-N 0 0 380.467 3.857 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000184658575 883372095 /nfs/dbraw/zinc/37/20/95/883372095.db2.gz KOJRMLFWPXMXMD-LJQANCHMSA-N 0 0 382.460 3.816 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)c(F)c2F)c2ccc(F)cc2C1 ZINC000184829502 883384855 /nfs/dbraw/zinc/38/48/55/883384855.db2.gz XIJBQLQIFFXOMI-HNNXBMFYSA-N 0 0 395.356 3.858 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000184857375 883386310 /nfs/dbraw/zinc/38/63/10/883386310.db2.gz FIJSGZXIAMQYLU-KUHUBIRLSA-N 0 0 386.448 3.545 10 0 GHAERN COc1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000185118964 883423592 /nfs/dbraw/zinc/42/35/92/883423592.db2.gz QXMKVDHFHIEUDO-SFHVURJKSA-N 0 0 389.402 3.588 10 0 GHAERN COc1cc(C)ccc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185239085 883428175 /nfs/dbraw/zinc/42/81/75/883428175.db2.gz QHCZGRMHCDKPLU-GOSISDBHSA-N 0 0 385.439 3.758 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)Nc1cccc2c1OCC[C@H]2O ZINC000185371284 883442874 /nfs/dbraw/zinc/44/28/74/883442874.db2.gz CNMUWAULTVNHCT-MUBLQREKSA-N 0 0 375.837 3.517 10 0 GHAERN COc1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(C)c1 ZINC000185303112 883451937 /nfs/dbraw/zinc/45/19/37/883451937.db2.gz ZTJMPKYBOXHRBA-HXUWFJFHSA-N 0 0 385.439 3.758 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H]2CCOc3ccccc32)c2ccc(F)cc2C1 ZINC000185506519 883547317 /nfs/dbraw/zinc/54/73/17/883547317.db2.gz TWCOSBVEJZCNNS-IERDGZPVSA-N 0 0 396.462 3.692 10 0 GHAERN Cc1nc(-c2ccc(NCc3ncc(-c4ccccc4)cn3)nc2)[nH]c(=O)c1C ZINC000185993617 883601831 /nfs/dbraw/zinc/60/18/31/883601831.db2.gz YSWVELXLYKIFJD-UHFFFAOYSA-N 0 0 384.443 3.518 10 0 GHAERN COc1cc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)ccc1OC(C)C ZINC000186263098 883634702 /nfs/dbraw/zinc/63/47/02/883634702.db2.gz NBSJHHHKWRCECH-UHFFFAOYSA-N 0 0 398.507 3.976 10 0 GHAERN Cc1cc(C(=O)N2CCCN(c3ccccn3)CC2)ccc1NC(=O)CC(C)C ZINC000186450789 883646429 /nfs/dbraw/zinc/64/64/29/883646429.db2.gz LSTWTLVAPDXWEL-UHFFFAOYSA-N 0 0 394.519 3.727 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)o1 ZINC000186585858 883665831 /nfs/dbraw/zinc/66/58/31/883665831.db2.gz QZJZQGPXASDXMW-KRWDZBQOSA-N 0 0 384.436 3.772 10 0 GHAERN C[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)COCc1ccccc1 ZINC000186590503 883666849 /nfs/dbraw/zinc/66/68/49/883666849.db2.gz XHWPAOXAQMHIFO-HNNXBMFYSA-N 0 0 382.464 3.638 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3coc(-c4ccccc4)n3)ccc2NC1=O ZINC000186617966 883674749 /nfs/dbraw/zinc/67/47/49/883674749.db2.gz SHXPKFWIFGVSPS-UHFFFAOYSA-N 0 0 377.404 3.641 10 0 GHAERN C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186651779 883680985 /nfs/dbraw/zinc/68/09/85/883680985.db2.gz OOJPAINTLNKCRW-AWEZNQCLSA-N 0 0 399.520 3.636 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3csc(-c4ccco4)n3)ccc2NC1=O ZINC000186661246 883684549 /nfs/dbraw/zinc/68/45/49/883684549.db2.gz LJGBPTYMIQQZIG-UHFFFAOYSA-N 0 0 383.433 3.702 10 0 GHAERN COc1cc(F)c(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1OC ZINC000186730319 883696821 /nfs/dbraw/zinc/69/68/21/883696821.db2.gz OCCUSEPXFQEFPE-UHFFFAOYSA-N 0 0 398.356 3.973 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)n1 ZINC000186770417 883711588 /nfs/dbraw/zinc/71/15/88/883711588.db2.gz FBRGGFOANVJOLS-WOJBJXKFSA-N 0 0 390.487 3.799 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)nc1 ZINC000187020114 883732192 /nfs/dbraw/zinc/73/21/92/883732192.db2.gz TZCKQTSZKIJUDF-QGZVFWFLSA-N 0 0 376.504 3.770 10 0 GHAERN CSCc1cccc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000187395836 883785022 /nfs/dbraw/zinc/78/50/22/883785022.db2.gz HGFCUDBRPJJIFF-SFHVURJKSA-N 0 0 395.532 3.682 10 0 GHAERN CSCc1cccc(CNC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000187403709 883789092 /nfs/dbraw/zinc/78/90/92/883789092.db2.gz ZAJJJPPWUHMWLN-GOSISDBHSA-N 0 0 381.505 3.565 10 0 GHAERN Cc1cc(C)c(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1Br ZINC000187541977 883799834 /nfs/dbraw/zinc/79/98/34/883799834.db2.gz UKQKYEFHVHZSCG-AWEZNQCLSA-N 0 0 377.286 3.959 10 0 GHAERN COc1cc(NC(=O)N2CCC(Nc3nccs3)CC2)c(OC)cc1Cl ZINC000188401820 883846496 /nfs/dbraw/zinc/84/64/96/883846496.db2.gz SKUHZXVIFKMPKL-UHFFFAOYSA-N 0 0 396.900 3.922 10 0 GHAERN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)c2)cs1 ZINC000188518878 883856009 /nfs/dbraw/zinc/85/60/09/883856009.db2.gz DDIQGVJJBJERJS-DSTKZSRVSA-N 0 0 384.501 3.727 10 0 GHAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188576363 883857968 /nfs/dbraw/zinc/85/79/68/883857968.db2.gz WCVKKLHWFSKTQO-UHFFFAOYSA-N 0 0 399.520 3.908 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000188613038 883866585 /nfs/dbraw/zinc/86/65/85/883866585.db2.gz YFKBQZBWKDLINS-IBGZPJMESA-N 0 0 379.460 3.876 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000188693031 883870768 /nfs/dbraw/zinc/87/07/68/883870768.db2.gz YZCFIUBEOXJRHG-INIZCTEOSA-N 0 0 392.377 3.678 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000188691440 883871085 /nfs/dbraw/zinc/87/10/85/883871085.db2.gz IYMOZBBALGXOIH-KRWDZBQOSA-N 0 0 393.468 3.697 10 0 GHAERN O=C(Nc1nnc(-c2ccsc2)s1)N1CCC(Nc2nccs2)CC1 ZINC000188697433 883871163 /nfs/dbraw/zinc/87/11/63/883871163.db2.gz GFBMTHZEFAURSY-UHFFFAOYSA-N 0 0 392.535 3.832 10 0 GHAERN C[C@H](C1CC1)N(C(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CC1 ZINC000188876354 883890143 /nfs/dbraw/zinc/89/01/43/883890143.db2.gz VUWPQHPBWISYCQ-OAHLLOKOSA-N 0 0 392.503 3.614 10 0 GHAERN Cc1c(Br)cccc1CC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000189218359 883914380 /nfs/dbraw/zinc/91/43/80/883914380.db2.gz BACFBTDOQUNAJP-OAHLLOKOSA-N 0 0 391.313 3.666 10 0 GHAERN COCC(=O)N1CCc2cc(NC(=O)N3CC=C(c4cccs4)CC3)ccc21 ZINC000189527696 883960429 /nfs/dbraw/zinc/96/04/29/883960429.db2.gz FOPVEFMSQYVQPE-UHFFFAOYSA-N 0 0 397.500 3.605 10 0 GHAERN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189662151 883983747 /nfs/dbraw/zinc/98/37/47/883983747.db2.gz FTCMBZANESKJEL-HNNXBMFYSA-N 0 0 393.285 3.869 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C[C@H]1C ZINC000189882552 884005676 /nfs/dbraw/zinc/00/56/76/884005676.db2.gz AUBUVWDWRWDSEC-MNOVXSKESA-N 0 0 394.884 3.521 10 0 GHAERN O=C(N1CC2(CCOCC2)c2ccccc21)C1(c2ccc(F)cc2)CCOCC1 ZINC000189857237 884017490 /nfs/dbraw/zinc/01/74/90/884017490.db2.gz AQSXZHBTPRQBQH-UHFFFAOYSA-N 0 0 395.474 3.969 10 0 GHAERN CSCc1noc(CCC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)n1 ZINC000190288642 884064796 /nfs/dbraw/zinc/06/47/96/884064796.db2.gz VJLMLWFPHOKMIK-GFCCVEGCSA-N 0 0 381.448 3.550 10 0 GHAERN C[S@@](=O)Cc1cccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000190291270 884065466 /nfs/dbraw/zinc/06/54/66/884065466.db2.gz BZQHIGOIUFVQTQ-AKJBCIBTSA-N 0 0 377.456 3.863 10 0 GHAERN CCCOc1cc(OC)ccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000191049837 884148583 /nfs/dbraw/zinc/14/85/83/884148583.db2.gz UBPWBZUAOGUGBM-UHFFFAOYSA-N 0 0 375.494 3.657 10 0 GHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000191408129 884177906 /nfs/dbraw/zinc/17/79/06/884177906.db2.gz YDDHFDFWJHSDGR-DJIMGWMZSA-N 0 0 376.522 3.508 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc21 ZINC000162695706 884282776 /nfs/dbraw/zinc/28/27/76/884282776.db2.gz SFRPQURJRAIOAJ-YWZLYKJASA-N 0 0 384.501 3.595 10 0 GHAERN COc1c(C)ccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000193040010 884322784 /nfs/dbraw/zinc/32/27/84/884322784.db2.gz SUKZDMNKXIBJLD-UHFFFAOYSA-N 0 0 387.524 3.959 10 0 GHAERN Cc1ccccc1C[C@H](C)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000193390101 884347172 /nfs/dbraw/zinc/34/71/72/884347172.db2.gz ZSBZAZMPIMKHGV-IBGZPJMESA-N 0 0 385.552 3.750 10 0 GHAERN CCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)n[nH]1 ZINC000102784954 884452274 /nfs/dbraw/zinc/45/22/74/884452274.db2.gz FWTVIWIMQMZWID-UHFFFAOYSA-N 0 0 398.488 3.642 10 0 GHAERN CCc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)n[nH]1 ZINC000102784846 884452667 /nfs/dbraw/zinc/45/26/67/884452667.db2.gz UDPOXOBSININOL-UHFFFAOYSA-N 0 0 392.385 3.947 10 0 GHAERN CN(C)C(=O)c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000102851485 884555457 /nfs/dbraw/zinc/55/54/57/884555457.db2.gz UQQOFHXQRIILLE-UHFFFAOYSA-N 0 0 393.418 3.645 10 0 GHAERN CN(C)S(=O)(=O)c1cccc(NC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000105348519 884720289 /nfs/dbraw/zinc/72/02/89/884720289.db2.gz VIDOFCHBVKCDKX-UHFFFAOYSA-N 0 0 391.493 3.507 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711488 884841103 /nfs/dbraw/zinc/84/11/03/884841103.db2.gz IVAWFMBTTDQICD-RPHGYIDUSA-N 0 0 393.852 3.567 10 0 GHAERN COc1ccc(CSCC(=O)NC(C)(C)C)c(Br)c1OC ZINC000105633093 884866819 /nfs/dbraw/zinc/86/68/19/884866819.db2.gz NBNIGNFTXOTPGU-UHFFFAOYSA-N 0 0 376.316 3.614 10 0 GHAERN CCCn1nccc1NC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000105949548 884912321 /nfs/dbraw/zinc/91/23/21/884912321.db2.gz BQULYWBEDLELHS-UHFFFAOYSA-N 0 0 388.269 3.802 10 0 GHAERN C[C@@H](CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000103732985 885152572 /nfs/dbraw/zinc/15/25/72/885152572.db2.gz FIYMKTJAOOKTPY-ZDUSSCGKSA-N 0 0 383.872 3.690 10 0 GHAERN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526306 885943621 /nfs/dbraw/zinc/94/36/21/885943621.db2.gz XBCYQCWGNJJIGR-QGZVFWFLSA-N 0 0 398.850 3.783 10 0 GHAERN CCN(Cc1nc(-c2cccc(C)c2)no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932130 885980985 /nfs/dbraw/zinc/98/09/85/885980985.db2.gz MQBPIRJTNLARNK-UHFFFAOYSA-N 0 0 378.476 3.769 10 0 GHAERN CCN(C(=O)[C@@H](C)[S@](=O)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000105689859 886019089 /nfs/dbraw/zinc/01/90/89/886019089.db2.gz PNIOTIQLYUEFPW-HJWYETAXSA-N 0 0 397.500 3.735 10 0 GHAERN CCOc1ccccc1OCCCC(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000109501451 886135661 /nfs/dbraw/zinc/13/56/61/886135661.db2.gz IBDCJIIVJIBMRY-UHFFFAOYSA-N 0 0 393.443 3.633 10 0 GHAERN CCOc1c(Cl)cc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1OC ZINC000109502836 886135753 /nfs/dbraw/zinc/13/57/53/886135753.db2.gz KVUYIBYBTVHALG-UHFFFAOYSA-N 0 0 399.834 3.750 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000114826342 886328910 /nfs/dbraw/zinc/32/89/10/886328910.db2.gz XMVLZKLYNUDHEC-NVXWUHKLSA-N 0 0 398.532 3.920 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCSC[C@@H]1c1ccccc1 ZINC000115235560 886340879 /nfs/dbraw/zinc/34/08/79/886340879.db2.gz USHJXHPPKABMRI-HXUWFJFHSA-N 0 0 380.513 3.739 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cccnc3SC(F)(F)F)CC2)n1 ZINC000116670327 886369813 /nfs/dbraw/zinc/36/98/13/886369813.db2.gz UBJMIESJIVNACN-UHFFFAOYSA-N 0 0 396.438 3.796 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1OC ZINC000117627168 886388222 /nfs/dbraw/zinc/38/82/22/886388222.db2.gz JIXDDSDFFIOMGA-DYZYQPBXSA-N 0 0 392.249 3.970 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cccs1 ZINC000119493890 886465254 /nfs/dbraw/zinc/46/52/54/886465254.db2.gz YEYHYMTZPABRQN-GFCCVEGCSA-N 0 0 387.431 3.671 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000119664127 886471842 /nfs/dbraw/zinc/47/18/42/886471842.db2.gz ZARHFJVNLSFGRG-UKRRQHHQSA-N 0 0 392.425 3.637 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000119701591 886474224 /nfs/dbraw/zinc/47/42/24/886474224.db2.gz ARJSWCPNOIVUOF-WBMJQRKESA-N 0 0 378.398 3.601 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000119685803 886474352 /nfs/dbraw/zinc/47/43/52/886474352.db2.gz JVWFRKZACDMYRP-INIZCTEOSA-N 0 0 399.388 3.969 10 0 GHAERN COc1cc(Oc2ccccc2)ccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000119819773 886481174 /nfs/dbraw/zinc/48/11/74/886481174.db2.gz ZAYDLXGTGDVTKW-UHFFFAOYSA-N 0 0 393.447 3.948 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@H](C)c3c(C)noc3C)C2)c1 ZINC000119914931 886488489 /nfs/dbraw/zinc/48/84/89/886488489.db2.gz SGSSUXGLGANBHI-XJKSGUPXSA-N 0 0 387.480 3.611 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000120235272 886509945 /nfs/dbraw/zinc/50/99/45/886509945.db2.gz NFWKZVIIIBUJJC-LSDHHAIUSA-N 0 0 390.455 3.505 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCO[C@@H](c3ccccc3Cl)C1)CCC2 ZINC000332692692 886539917 /nfs/dbraw/zinc/53/99/17/886539917.db2.gz UUQWJBRFXVQDJC-CRAIPNDOSA-N 0 0 388.899 3.505 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1Br)CCC2 ZINC000332689318 886540272 /nfs/dbraw/zinc/54/02/72/886540272.db2.gz QGLZHRWZXIRQGS-UONOGXRCSA-N 0 0 391.313 3.892 10 0 GHAERN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CC(=O)Nc2ccccc21 ZINC000332898487 886557541 /nfs/dbraw/zinc/55/75/41/886557541.db2.gz KEMPFZQIJBREJX-HKUYNNGSSA-N 0 0 378.476 3.618 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCOc2ccccc2C)c2ccccc2F)no1 ZINC000124230914 886720880 /nfs/dbraw/zinc/72/08/80/886720880.db2.gz UZRUELPCZDVQMG-IBGZPJMESA-N 0 0 398.438 3.635 10 0 GHAERN CS[C@@H]1CCCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124425807 886746663 /nfs/dbraw/zinc/74/66/63/886746663.db2.gz MTJDWKPPJOALBP-CJNGLKHVSA-N 0 0 378.473 3.534 10 0 GHAERN CCCO[C@H]1CCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000124490486 886754849 /nfs/dbraw/zinc/75/48/49/886754849.db2.gz UJFXNDUSNZOZJJ-MAUKXSAKSA-N 0 0 390.459 3.597 10 0 GHAERN COc1cc(F)c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1OC ZINC000125631870 886887868 /nfs/dbraw/zinc/88/78/68/886887868.db2.gz RHQLAORUCYNIEU-UHFFFAOYSA-N 0 0 388.370 3.610 10 0 GHAERN COc1ccc(OC(F)F)c(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000127429940 887062817 /nfs/dbraw/zinc/06/28/17/887062817.db2.gz DIFHDXQODVPKBK-LBPRGKRZSA-N 0 0 397.447 3.842 10 0 GHAERN COc1cccc(CNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)c1 ZINC000047244980 887292720 /nfs/dbraw/zinc/29/27/20/887292720.db2.gz ICQCQZPLYPFGHU-UHFFFAOYSA-N 0 0 381.476 3.564 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cc(F)c(F)cc3F)C2)c1 ZINC000105044755 887329314 /nfs/dbraw/zinc/32/93/14/887329314.db2.gz SITDRJIPKNLMPV-LBPRGKRZSA-N 0 0 379.382 3.761 10 0 GHAERN CC(C)(C)OC(=O)CSCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000130716781 887465663 /nfs/dbraw/zinc/46/56/63/887465663.db2.gz QYOGNFMLHFHURQ-UHFFFAOYSA-N 0 0 390.505 3.609 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000130887201 887486153 /nfs/dbraw/zinc/48/61/53/887486153.db2.gz RJFCKTKSNYUNFQ-IBGZPJMESA-N 0 0 389.455 3.680 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000131038791 887500760 /nfs/dbraw/zinc/50/07/60/887500760.db2.gz ZYVLOVJAQXEYGA-UHFFFAOYSA-N 0 0 390.443 3.536 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2)[nH]1 ZINC000132028857 887601143 /nfs/dbraw/zinc/60/11/43/887601143.db2.gz IFMXNRZGPPBRPN-HNNXBMFYSA-N 0 0 376.247 3.522 10 0 GHAERN COc1ccccc1[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C)c1noc(C)n1 ZINC000132290328 887638695 /nfs/dbraw/zinc/63/86/95/887638695.db2.gz SOQHLVARTHMOQN-BJLQDIEVSA-N 0 0 377.444 3.704 10 0 GHAERN Cc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1S(C)(=O)=O ZINC000133048550 887726902 /nfs/dbraw/zinc/72/69/02/887726902.db2.gz JLUCKRGUNYQYFF-UHFFFAOYSA-N 0 0 376.503 3.781 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)o1 ZINC000133536948 887775175 /nfs/dbraw/zinc/77/51/75/887775175.db2.gz YANXIFUIUMLZQR-CYBMUJFWSA-N 0 0 385.645 3.613 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)cc2)n1 ZINC000134072789 887832228 /nfs/dbraw/zinc/83/22/28/887832228.db2.gz UITNWLWPXSNQHX-OAQYLSRUSA-N 0 0 379.460 3.663 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000134347490 887862286 /nfs/dbraw/zinc/86/22/86/887862286.db2.gz YJKWDGILOVVAHQ-DNVCBOLYSA-N 0 0 399.491 3.874 10 0 GHAERN Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000134392075 887867827 /nfs/dbraw/zinc/86/78/27/887867827.db2.gz XDSCUWDJTMSCKR-SIKLNZKXSA-N 0 0 399.535 3.558 10 0 GHAERN CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000135131177 887945977 /nfs/dbraw/zinc/94/59/77/887945977.db2.gz QTYKRRRZRDYLJU-UHFFFAOYSA-N 0 0 375.515 3.644 10 0 GHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000054538936 887998034 /nfs/dbraw/zinc/99/80/34/887998034.db2.gz KYECYGOYTHSHDO-HNNXBMFYSA-N 0 0 376.407 3.583 10 0 GHAERN COc1ccccc1[C@H](NC(=O)/C=C/c1cccc2cccnc12)c1nccn1C ZINC000055438323 888169705 /nfs/dbraw/zinc/16/97/05/888169705.db2.gz AYEFXKDOZFYMHQ-OTOIZHKDSA-N 0 0 398.466 3.896 10 0 GHAERN COc1cccc([C@@H](NC(=O)Nc2cccc3cccnc32)c2nccn2C)c1 ZINC000054009464 888260290 /nfs/dbraw/zinc/26/02/90/888260290.db2.gz LXVVRDIALPMAOJ-HXUWFJFHSA-N 0 0 387.443 3.888 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)C1 ZINC000055345565 888315300 /nfs/dbraw/zinc/31/53/00/888315300.db2.gz BFBZVTWUPNKHAB-BVYCBKJFSA-N 0 0 398.547 3.651 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@H](c2cccs2)C1 ZINC000137857052 888373853 /nfs/dbraw/zinc/37/38/53/888373853.db2.gz HYQQYHHDNOMPTD-HNNXBMFYSA-N 0 0 377.535 3.562 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)n1 ZINC000193689757 888517004 /nfs/dbraw/zinc/51/70/04/888517004.db2.gz WPXTXWYECJEZRO-UHFFFAOYSA-N 0 0 384.267 3.854 10 0 GHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000193797726 888525112 /nfs/dbraw/zinc/52/51/12/888525112.db2.gz CHJPCZXOJXEYAK-ROUUACIJSA-N 0 0 398.503 3.710 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000194028541 888547892 /nfs/dbraw/zinc/54/78/92/888547892.db2.gz UYOXVIXJBSGZQW-KRWDZBQOSA-N 0 0 389.496 3.896 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(CC2CCC2)C(C)C)c2ccc(F)cc2C1 ZINC000194209776 888568518 /nfs/dbraw/zinc/56/85/18/888568518.db2.gz UMWWGMLFDKSKOB-HXUWFJFHSA-N 0 0 375.488 3.839 10 0 GHAERN COC[C@@H](NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648458 888602350 /nfs/dbraw/zinc/60/23/50/888602350.db2.gz FFOBUKHIYBZJEQ-MSOLQXFVSA-N 0 0 399.882 3.543 10 0 GHAERN Cc1occc1-c1nnc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccccc3)o2)n1C ZINC000195108414 888648114 /nfs/dbraw/zinc/64/81/14/888648114.db2.gz WQPIPJCTTVLCGI-ZDUSSCGKSA-N 0 0 398.444 3.573 10 0 GHAERN OCCn1nccc1C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000195509764 888682940 /nfs/dbraw/zinc/68/29/40/888682940.db2.gz HFSXALHLEKLUAK-UHFFFAOYSA-N 0 0 386.883 3.563 10 0 GHAERN CC[C@H](NC(=O)N[C@H]1Cc2ccccc2[C@H]1O)c1nc(C(F)(F)F)cs1 ZINC000245495433 888795453 /nfs/dbraw/zinc/79/54/53/888795453.db2.gz PLKFZSCJSAPKTR-SGMGOOAPSA-N 0 0 385.411 3.571 10 0 GHAERN CC1(C)CC[C@H](NC(=O)N2CCC(Nc3cccnn3)CC2)c2ccccc21 ZINC000154275037 888948069 /nfs/dbraw/zinc/94/80/69/888948069.db2.gz PXJYZEMXRJRZJP-IBGZPJMESA-N 0 0 379.508 3.875 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000245562657 888955758 /nfs/dbraw/zinc/95/57/58/888955758.db2.gz VPZKAZQEEXOMIZ-QSFXBCCZSA-N 0 0 396.512 3.774 10 0 GHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245750434 889630410 /nfs/dbraw/zinc/63/04/10/889630410.db2.gz DBZUUPGELNIDBR-KBAYOESNSA-N 0 0 380.448 3.656 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000245971809 890107433 /nfs/dbraw/zinc/10/74/33/890107433.db2.gz VZPYUCZCYKFOLI-WCVJEAGWSA-N 0 0 377.531 3.573 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000245990456 890138252 /nfs/dbraw/zinc/13/82/52/890138252.db2.gz HUSDYOMQQNOZJV-KBAYOESNSA-N 0 0 390.505 3.548 10 0 GHAERN O=C(Nc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1)c1ccco1 ZINC000246036133 890219215 /nfs/dbraw/zinc/21/92/15/890219215.db2.gz AEEROJCCAKEEOO-BHIYHBOVSA-N 0 0 380.444 3.609 10 0 GHAERN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246119525 890409435 /nfs/dbraw/zinc/40/94/35/890409435.db2.gz OCXYUHYGUGTBCS-GVDBMIGSSA-N 0 0 380.448 3.693 10 0 GHAERN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000246137123 890494745 /nfs/dbraw/zinc/49/47/45/890494745.db2.gz RSWGIVZQKPYSFK-BXWFABGCSA-N 0 0 388.826 3.551 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(Cl)c1 ZINC000246271856 890907437 /nfs/dbraw/zinc/90/74/37/890907437.db2.gz YYMKHLYGGBBDCI-ZHALLVOQSA-N 0 0 383.879 3.749 10 0 GHAERN C[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000070670532 891218832 /nfs/dbraw/zinc/21/88/32/891218832.db2.gz FFCTZZMOZHQUJT-OAHLLOKOSA-N 0 0 392.459 3.744 10 0 GHAERN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccoc2)no1 ZINC000105571089 891243556 /nfs/dbraw/zinc/24/35/56/891243556.db2.gz XTWAONVEDRXRNR-UHFFFAOYSA-N 0 0 394.387 3.955 10 0 GHAERN CCc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ncc(Br)s3)C2)ncn1 ZINC000246452794 891248460 /nfs/dbraw/zinc/24/84/60/891248460.db2.gz PJPLIALQCYCKBN-YPMHNXCESA-N 0 0 396.358 3.578 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2)CCO1 ZINC000246560169 891285626 /nfs/dbraw/zinc/28/56/26/891285626.db2.gz AGEZKBZVFILWKM-CRAIPNDOSA-N 0 0 387.505 3.579 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246570255 891287545 /nfs/dbraw/zinc/28/75/45/891287545.db2.gz VJEWYIMUFPSORO-CEXWTWQISA-N 0 0 397.437 3.996 10 0 GHAERN C[S@](=O)Cc1cccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599171 891289925 /nfs/dbraw/zinc/28/99/25/891289925.db2.gz HBGZBUTZUAHENU-KFDHSVMUSA-N 0 0 389.517 3.667 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)c2C(F)(F)F)cc1 ZINC000246626923 891293013 /nfs/dbraw/zinc/29/30/13/891293013.db2.gz CAQWLHBVYAJMGC-USXIJHARSA-N 0 0 393.409 3.887 10 0 GHAERN C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000246692527 891299199 /nfs/dbraw/zinc/29/91/99/891299199.db2.gz WRIYGJYXUFPQLI-ZRCAFCQKSA-N 0 0 379.456 3.516 10 0 GHAERN O=C(CCC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)CCC(=O)c1cccs1 ZINC000246935438 891324990 /nfs/dbraw/zinc/32/49/90/891324990.db2.gz SCMCUXMOJZQUCE-CWFSZBLJSA-N 0 0 389.517 3.524 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000247020665 891333327 /nfs/dbraw/zinc/33/33/27/891333327.db2.gz SNEIHOXILZQIFM-OIISXLGYSA-N 0 0 385.489 3.684 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000247055727 891339977 /nfs/dbraw/zinc/33/99/77/891339977.db2.gz VQPWYRXFJUNFFB-HKBOAZHASA-N 0 0 380.488 3.701 10 0 GHAERN CCCc1c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)[nH]c(C)c1C(C)=O ZINC000247067591 891341213 /nfs/dbraw/zinc/34/12/13/891341213.db2.gz CBIOVHNEIKKBNV-QRWLVFNGSA-N 0 0 396.535 3.514 10 0 GHAERN Cc1[nH]c2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000247217942 891356297 /nfs/dbraw/zinc/35/62/97/891356297.db2.gz MVHZJSIGLFFLTQ-QVKFZJNVSA-N 0 0 376.504 3.820 10 0 GHAERN CN1CCC(=O)Nc2cc(C(=O)N3CCCCC[C@H]3[C@H]3CCCCC3=O)ccc21 ZINC000247666755 891390961 /nfs/dbraw/zinc/39/09/61/891390961.db2.gz YVGHXHSNLSPDHP-MJGOQNOKSA-N 0 0 397.519 3.609 10 0 GHAERN Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cnn1CCO[C@@H]1CCCCO1 ZINC000248146603 891412461 /nfs/dbraw/zinc/41/24/61/891412461.db2.gz ZTXQKZHNCSUHOG-PIPMEXSNSA-N 0 0 397.519 3.753 10 0 GHAERN CS[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248633375 891448278 /nfs/dbraw/zinc/44/82/78/891448278.db2.gz SJDPVNPHMAHDOD-LMMKCTJWSA-N 0 0 393.528 3.592 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249197517 891501827 /nfs/dbraw/zinc/50/18/27/891501827.db2.gz RRRLRLCGXUNJLY-HBGVWJBISA-N 0 0 379.483 3.533 10 0 GHAERN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000262206399 892252998 /nfs/dbraw/zinc/25/29/98/892252998.db2.gz SXAAFIAODFSJHU-KPZWWZAWSA-N 0 0 391.265 3.791 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(NC(=O)C(C)C)cc3)C2)c1 ZINC000102384343 898007683 /nfs/dbraw/zinc/00/76/83/898007683.db2.gz HGHFXCYZSIDAIN-KRWDZBQOSA-N 0 0 395.503 3.546 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCSc3c(F)cccc31)C2 ZINC000112743797 898926035 /nfs/dbraw/zinc/92/60/35/898926035.db2.gz AVUPXRQIVSNBGN-OAHLLOKOSA-N 0 0 388.512 3.987 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333886709 902398922 /nfs/dbraw/zinc/39/89/22/902398922.db2.gz FZAVIKDMAADDMZ-LZWOXQAQSA-N 0 0 395.956 3.518 10 0 GHAERN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)cc12 ZINC000333986665 902483032 /nfs/dbraw/zinc/48/30/32/902483032.db2.gz GZHGHPLGDAKGGO-YESZJQIVSA-N 0 0 395.528 3.937 10 0 GHAERN Cc1ccc(C)c(-n2cnc3cc(C(=O)N4C[C@@H]5CC[C@H](O)C[C@H]5C4)ccc32)c1 ZINC000333989057 902484817 /nfs/dbraw/zinc/48/48/17/902484817.db2.gz IQTXAXRFSOBKFE-UFYCRDLUSA-N 0 0 389.499 3.875 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1Nc1ccc(CC(N)=O)cc1 ZINC000177358401 906116378 /nfs/dbraw/zinc/11/63/78/906116378.db2.gz QMAITJCUSUUODU-GBESFXJTSA-N 0 0 387.524 3.695 10 0 GHAERN CCc1ccc(-c2nc(CC(=O)N3CCCC[C@H]3c3nc[nH]n3)cs2)cc1 ZINC000182112098 907136613 /nfs/dbraw/zinc/13/66/13/907136613.db2.gz CROIHXDYBVOZJK-KRWDZBQOSA-N 0 0 381.505 3.787 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2nc(C(F)(F)F)cs2)cs1 ZINC000186801224 907986388 /nfs/dbraw/zinc/98/63/88/907986388.db2.gz YNYMLKJJODAFFK-JTQLQIEISA-N 0 0 376.429 3.974 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CSC(=S)N2CCC(C)CC2)cs1 ZINC000187130197 908043700 /nfs/dbraw/zinc/04/37/00/908043700.db2.gz KLYNLKHOKCMEFZ-HNNXBMFYSA-N 0 0 383.608 3.865 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000189079860 908280616 /nfs/dbraw/zinc/28/06/16/908280616.db2.gz XTPWLZBDXQKAGC-WMLDXEAASA-N 0 0 391.427 3.604 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000189102853 908283662 /nfs/dbraw/zinc/28/36/62/908283662.db2.gz YKRRRPAXHPUYIA-VQTJNVASSA-N 0 0 379.460 3.843 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000190002418 908399775 /nfs/dbraw/zinc/39/97/75/908399775.db2.gz ZQZKXGNHPPHDKE-RDJZCZTQSA-N 0 0 387.505 3.629 10 0 GHAERN CN(CC1CC(O)C1)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000190020900 908405131 /nfs/dbraw/zinc/40/51/31/908405131.db2.gz QBHFFFUHKDTYNF-UHFFFAOYSA-N 0 0 381.192 3.703 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C1 ZINC000190018886 908405248 /nfs/dbraw/zinc/40/52/48/908405248.db2.gz SEFJYAQHVAJWRF-AUUYWEPGSA-N 0 0 396.422 3.545 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000190083776 908421771 /nfs/dbraw/zinc/42/17/71/908421771.db2.gz UUJPLPMLTWBCEB-QGPMSJSTSA-N 0 0 387.480 3.566 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000190112216 908428129 /nfs/dbraw/zinc/42/81/29/908428129.db2.gz JZTHATBYYDCSDE-YLJYHZDGSA-N 0 0 390.443 3.943 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000190133627 908435633 /nfs/dbraw/zinc/43/56/33/908435633.db2.gz KWMCBSMYBCZYCY-UKRRQHHQSA-N 0 0 398.385 3.867 10 0 GHAERN Cc1cc(F)c(Br)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000190889706 908538400 /nfs/dbraw/zinc/53/84/00/908538400.db2.gz HARFJUSJJLIMRB-CYBMUJFWSA-N 0 0 382.237 3.774 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)cn1 ZINC000103809794 911081243 /nfs/dbraw/zinc/08/12/43/911081243.db2.gz RFRXMIGKEYRPEY-OAQYLSRUSA-N 0 0 396.418 3.977 10 0 GHAERN Cc1nc(CN(C)[C@H]2CCC[N@H+](Cc3cc(Br)cs3)CC2)no1 ZINC000370224815 923971293 /nfs/dbraw/zinc/97/12/93/923971293.db2.gz MVQMHPJUUSXYSI-AWEZNQCLSA-N 0 0 399.358 3.689 10 0 GHAERN Cn1ncc2c1C[C@H](C(=O)N1CCC(c3nc4cc(F)ccc4s3)CC1)CC2 ZINC000373988472 926628676 /nfs/dbraw/zinc/62/86/76/926628676.db2.gz ATBAFEHLLALNBB-CQSZACIVSA-N 0 0 398.507 3.680 10 0 GHAERN Cn1nc(C2CCCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182288756 1014569814 /nfs/dbraw/zinc/56/98/14/1014569814.db2.gz SVJRJDGFRKSXGU-UHFFFAOYSA-N 0 0 398.482 3.708 10 0 GHAERN CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000185253002 1014577138 /nfs/dbraw/zinc/57/71/38/1014577138.db2.gz WIWVTTVKQHZPIP-OXJNMPFZSA-N 0 0 375.488 3.841 10 0 GHAERN CSc1ccsc1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528606 1014585501 /nfs/dbraw/zinc/58/55/01/1014585501.db2.gz HKSXLNBITVJSMH-HNNXBMFYSA-N 0 0 378.494 3.832 10 0 GHAERN O=C1CCCC[C@@H]1Sc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1 ZINC000003309329 203996935 /nfs/dbraw/zinc/99/69/35/203996935.db2.gz NMGQHUJRVSGYJM-SFHVURJKSA-N 0 0 390.468 3.637 10 0 GHAERN CC(C)NC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000004908953 204090215 /nfs/dbraw/zinc/09/02/15/204090215.db2.gz PFEBCWHNJZGVRH-UZLBHIALSA-N 0 0 390.487 3.596 10 0 GHAERN CC[C@@H](C)NC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000004972163 204099009 /nfs/dbraw/zinc/09/90/09/204099009.db2.gz FAJLEFKRPIMSJP-HUUCEWRRSA-N 0 0 397.906 3.827 10 0 GHAERN Cc1sc2nc(C)n(CC(=O)Nc3ccc(F)c(Cl)c3)c(=O)c2c1C ZINC000006919080 204224361 /nfs/dbraw/zinc/22/43/61/204224361.db2.gz QAPWFEVHDPTBGX-UHFFFAOYSA-N 0 0 379.844 3.814 10 0 GHAERN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000007649262 204245002 /nfs/dbraw/zinc/24/50/02/204245002.db2.gz JVNACEBXZLRGEF-UHFFFAOYSA-N 0 0 390.505 3.758 10 0 GHAERN CCCCN(C)C(=O)c1nc2ccccn2c1CN(C)Cc1csc(C)n1 ZINC000012317068 204395853 /nfs/dbraw/zinc/39/58/53/204395853.db2.gz YQYRJPKMXMGMGU-UHFFFAOYSA-N 0 0 385.537 3.603 10 0 GHAERN C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000018891826 204621402 /nfs/dbraw/zinc/62/14/02/204621402.db2.gz UPLXGJYEBMWNJL-GFCCVEGCSA-N 0 0 376.250 3.640 10 0 GHAERN O=C(NC1CCCCC1)c1ccc([C@@H]2CCCN2C(=O)c2ncccc2O)s1 ZINC000019636529 204666015 /nfs/dbraw/zinc/66/60/15/204666015.db2.gz XHOQKZLAZVHTRZ-HNNXBMFYSA-N 0 0 399.516 3.889 10 0 GHAERN COCCN(C(=O)c1cc(Br)ccc1Cl)[C@@H]1CCSC1 ZINC000037985658 204774610 /nfs/dbraw/zinc/77/46/10/204774610.db2.gz SYSWRIPARJOQDN-LLVKDONJSA-N 0 0 378.719 3.697 10 0 GHAERN CCCCN(C)S(=O)(=O)c1cc(-c2cnn3c2nc(C)cc3C)ccc1C ZINC000033298061 204956546 /nfs/dbraw/zinc/95/65/46/204956546.db2.gz YHAHVNIGYXFBDU-UHFFFAOYSA-N 0 0 386.521 3.742 10 0 GHAERN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CC)C(=O)c2cccs2)c1C ZINC000036004354 205001362 /nfs/dbraw/zinc/00/13/62/205001362.db2.gz PYSJAQDPIYRTHU-ZDUSSCGKSA-N 0 0 376.478 3.603 10 0 GHAERN CCn1ncc([C@@H](C)NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C ZINC000036617839 205018572 /nfs/dbraw/zinc/01/85/72/205018572.db2.gz LTZGIZQOHWIZGH-CYBMUJFWSA-N 0 0 382.464 3.886 10 0 GHAERN C[C@H]1CN(c2cc(Oc3cccc(F)c3)ncn2)CCN1C(=O)c1cccs1 ZINC000037356001 205026454 /nfs/dbraw/zinc/02/64/54/205026454.db2.gz RXSRUOVQQJQTPP-AWEZNQCLSA-N 0 0 398.463 3.820 10 0 GHAERN CCCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000039952727 205044412 /nfs/dbraw/zinc/04/44/12/205044412.db2.gz ORGMCASVSQTZHI-KRWDZBQOSA-N 0 0 376.497 3.996 10 0 GHAERN CCN(C)C(=O)[C@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000040400163 205064436 /nfs/dbraw/zinc/06/44/36/205064436.db2.gz DAIVFSBHFKJROG-CVEARBPZSA-N 0 0 399.457 3.707 10 0 GHAERN CCOC(=O)c1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1N ZINC000040779629 205070555 /nfs/dbraw/zinc/07/05/55/205070555.db2.gz BHGXMPHLXJXBRT-UHFFFAOYSA-N 0 0 384.827 3.771 10 0 GHAERN CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000040863826 205074340 /nfs/dbraw/zinc/07/43/40/205074340.db2.gz JTXKHBABVHIRCA-UHFFFAOYSA-N 0 0 384.885 3.817 10 0 GHAERN CC(C)C(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCCc1ccccc1)CO2 ZINC000065082182 205209752 /nfs/dbraw/zinc/20/97/52/205209752.db2.gz AKCFVSOLDZGTRN-IBGZPJMESA-N 0 0 380.488 3.581 10 0 GHAERN COC(=O)CC1=CC(SCC(=O)N2CCC(C)CC2)=Nc2ccccc2N1 ZINC000064661237 205192592 /nfs/dbraw/zinc/19/25/92/205192592.db2.gz IOBMFKJIYDQELK-UHFFFAOYSA-N 0 0 387.505 3.581 10 0 GHAERN COCCNc1c(-c2ccccc2)nc2sc(C(=O)N3CCCC3)c(C)n21 ZINC000064761342 205195473 /nfs/dbraw/zinc/19/54/73/205195473.db2.gz YACIAJSAPKYBPW-UHFFFAOYSA-N 0 0 384.505 3.666 10 0 GHAERN CCc1noc(-c2ccnc(-n3cnc(C(=O)Nc4ccccc4Cl)c3)c2)n1 ZINC000065250900 205223521 /nfs/dbraw/zinc/22/35/21/205223521.db2.gz LMUYBRFGSDAFGV-UHFFFAOYSA-N 0 0 394.822 3.785 10 0 GHAERN Cc1nc(CN(C)C(=O)c2cc(-c3cn[nH]c3)nc3ccc(F)cc32)cs1 ZINC000020861347 205920251 /nfs/dbraw/zinc/92/02/51/205920251.db2.gz JCZPATJUYLDPRG-UHFFFAOYSA-N 0 0 381.436 3.801 10 0 GHAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1Br ZINC000007306154 206222925 /nfs/dbraw/zinc/22/29/25/206222925.db2.gz DELFCILQRIPWBD-MRVPVSSYSA-N 0 0 394.212 3.906 10 0 GHAERN Cc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2ccc(N)nc2)cc1 ZINC000065506958 136164008 /nfs/dbraw/zinc/16/40/08/136164008.db2.gz MBNGFWZBNINSJX-IYBDPMFKSA-N 0 0 375.476 3.710 10 0 GHAERN Cc1ccc(Nc2nc(N3CCN(c4ncccn4)CC3)nc3ccccc32)cc1 ZINC000072260491 136167776 /nfs/dbraw/zinc/16/77/76/136167776.db2.gz QXFAVGJBMNXYEB-UHFFFAOYSA-N 0 0 397.486 3.798 10 0 GHAERN NC(=O)C1CCN(c2nc3ccccc3c(NCc3ccccc3Cl)n2)CC1 ZINC000072260566 136167839 /nfs/dbraw/zinc/16/78/39/136167839.db2.gz XSKLHYAHKOOTBC-UHFFFAOYSA-N 0 0 395.894 3.597 10 0 GHAERN CC(C)Cc1cc(=O)[nH]c(-c2ccc(CN(C)[C@H](C)c3ccncn3)cc2)n1 ZINC000023505452 519425859 /nfs/dbraw/zinc/42/58/59/519425859.db2.gz APBASJGSZVCKOT-MRXNPFEDSA-N 0 0 377.492 3.618 10 0 GHAERN COc1cccc(CNc2ncc(C(=O)NCc3ccccc3Cl)c(C)n2)c1 ZINC000021638832 570293761 /nfs/dbraw/zinc/29/37/61/570293761.db2.gz VXBXKVVCEPIEMB-UHFFFAOYSA-N 0 0 396.878 3.989 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ncc(Cl)cn1)CC2 ZINC000275692373 570699546 /nfs/dbraw/zinc/69/95/46/570699546.db2.gz MPYSZBNCVLJQIP-INIZCTEOSA-N 0 0 376.913 3.599 10 0 GHAERN CCc1c(NC(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)n[nH]c1-c1ccncc1 ZINC000583622061 570802464 /nfs/dbraw/zinc/80/24/64/570802464.db2.gz JBFKAUKFINCPCD-VGOFRKELSA-N 0 0 392.434 3.852 10 0 GHAERN COCCNc1nnc(SCc2noc(-c3ccccc3Cl)n2)s1 ZINC000105729400 837572975 /nfs/dbraw/zinc/57/29/75/837572975.db2.gz DZVFOMWVRFWKHD-UHFFFAOYSA-N 0 0 383.886 3.592 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000246848821 834524395 /nfs/dbraw/zinc/52/43/95/834524395.db2.gz KSNSWJFXZVDQEE-DKICVRJWSA-N 0 0 376.501 3.515 10 0 GHAERN Cc1csc(C2CCN(CC(=O)Nc3ccccc3OC(F)F)CC2)n1 ZINC000156773743 834549626 /nfs/dbraw/zinc/54/96/26/834549626.db2.gz ZNEQLSSHBSBPSD-UHFFFAOYSA-N 0 0 381.448 3.871 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329285760 834750847 /nfs/dbraw/zinc/75/08/47/834750847.db2.gz OLJRLSFHRQNMAR-DOTOQJQBSA-N 0 0 391.581 3.839 10 0 GHAERN CCc1noc(-c2cc(Cl)ccc2NC(=O)C(=O)Nc2cccc(F)c2)n1 ZINC000157434265 834918026 /nfs/dbraw/zinc/91/80/26/834918026.db2.gz BLEXOJKOPUOLFR-UHFFFAOYSA-N 0 0 388.786 3.669 10 0 GHAERN O=C(Cc1ccc(O)cc1Cl)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000157509547 834965366 /nfs/dbraw/zinc/96/53/66/834965366.db2.gz UFTWEWWIBBWUBN-MRXNPFEDSA-N 0 0 398.890 3.731 10 0 GHAERN CCn1cc(C2CCN(C(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)CC2)cn1 ZINC000329432110 835027410 /nfs/dbraw/zinc/02/74/10/835027410.db2.gz KUTSNVOZPLNCMX-UHFFFAOYSA-N 0 0 397.445 3.893 10 0 GHAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101524888 835301878 /nfs/dbraw/zinc/30/18/78/835301878.db2.gz VKQFKCWSIYWETC-HNNXBMFYSA-N 0 0 379.416 3.664 10 0 GHAERN O=C(Oc1ccccc1)N1CCCN(C(=O)c2cccc3ncccc32)CC1 ZINC000101532598 835318057 /nfs/dbraw/zinc/31/80/57/835318057.db2.gz GJPCUFVHIRFUHJ-UHFFFAOYSA-N 0 0 375.428 3.582 10 0 GHAERN Cc1csc(C2CCN(S(=O)(=O)c3cnc(Cl)c(Cl)c3)CC2)n1 ZINC000158861620 835571695 /nfs/dbraw/zinc/57/16/95/835571695.db2.gz HKEYSYDMWXHTGP-UHFFFAOYSA-N 0 0 392.333 3.722 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)CN3C(=O)CCc4ccccc43)C2)n1 ZINC000329690004 835695665 /nfs/dbraw/zinc/69/56/65/835695665.db2.gz ZIQJWAQHNVLWFZ-KRWDZBQOSA-N 0 0 397.544 3.952 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3csc(CC(=O)Nc4ccccc4)n3)CCO2)o1 ZINC000159139244 835737708 /nfs/dbraw/zinc/73/77/08/835737708.db2.gz LOEOCYIPSHKFEI-LJQANCHMSA-N 0 0 397.500 3.799 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000332729521 836491847 /nfs/dbraw/zinc/49/18/47/836491847.db2.gz XVAXEOLJDVNFPY-NMLBUPMWSA-N 0 0 381.520 3.556 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000332729529 836492188 /nfs/dbraw/zinc/49/21/88/836492188.db2.gz XVAXEOLJDVNFPY-ZRNYENFQSA-N 0 0 381.520 3.556 10 0 GHAERN O=C(Cc1cn2ccsc2n1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000328655659 836549410 /nfs/dbraw/zinc/54/94/10/836549410.db2.gz NALMIQPHFZQIGW-GFCCVEGCSA-N 0 0 384.436 3.625 10 0 GHAERN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C[C@H](c2ccccc2)O1 ZINC000332807454 836669193 /nfs/dbraw/zinc/66/91/93/836669193.db2.gz DWSKFINURXCBCD-NZSAHSFTSA-N 0 0 396.535 3.667 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000247771847 844226782 /nfs/dbraw/zinc/22/67/82/844226782.db2.gz PIOXZRQZDOWNLD-ZHRRBRCNSA-N 0 0 394.563 3.930 10 0 GHAERN Cc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1N1CCCS1(=O)=O ZINC000246359139 837341412 /nfs/dbraw/zinc/34/14/12/837341412.db2.gz GPIVMBCCKWBENN-JFIYKMOQSA-N 0 0 391.537 3.720 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000333219034 844313698 /nfs/dbraw/zinc/31/36/98/844313698.db2.gz VQEWGFPSLVLXPR-UHFFFAOYSA-N 0 0 395.303 3.949 10 0 GHAERN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3c(Cl)cc(F)cc3Cl)C2)[nH]n1 ZINC000407977269 838363155 /nfs/dbraw/zinc/36/31/55/838363155.db2.gz QJWVBPBVVQQXQW-SNVBAGLBSA-N 0 0 392.283 3.732 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)cs2)cc1 ZINC000041110694 838473721 /nfs/dbraw/zinc/47/37/21/838473721.db2.gz HMYPMJHTJNJYBH-RTBURBONSA-N 0 0 386.517 3.743 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000179186645 838529393 /nfs/dbraw/zinc/52/93/93/838529393.db2.gz JUEAPOKGRIATLV-HXUWFJFHSA-N 0 0 383.536 3.744 10 0 GHAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000115364659 839124410 /nfs/dbraw/zinc/12/44/10/839124410.db2.gz ADJDYKJASUMTTG-BBRMVZONSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)C2)n1 ZINC000123024706 839130864 /nfs/dbraw/zinc/13/08/64/839130864.db2.gz GEHJHNHYLDUJBE-HNNXBMFYSA-N 0 0 385.899 3.511 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)N2CCC3(CCCCC3)CC2)cs1 ZINC000330218104 839491508 /nfs/dbraw/zinc/49/15/08/839491508.db2.gz OKAYFIKCODHSEE-KRWDZBQOSA-N 0 0 383.583 3.880 10 0 GHAERN CC1(C)CC[C@@H](NC(=O)N2CCCN(c3cccnn3)CC2)c2ccccc21 ZINC000119822068 840435195 /nfs/dbraw/zinc/43/51/95/840435195.db2.gz UDKGLOLCMLFYIB-LJQANCHMSA-N 0 0 379.508 3.511 10 0 GHAERN O=C1C[C@@H](c2nc(Cc3ccc(Cl)cc3)no2)CN1CCc1ccccc1 ZINC000109611473 840512198 /nfs/dbraw/zinc/51/21/98/840512198.db2.gz RRQFBHHUQLZPEN-QGZVFWFLSA-N 0 0 381.863 3.872 10 0 GHAERN Cc1nnc([C@H](C)NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)s1 ZINC000332727180 844546815 /nfs/dbraw/zinc/54/68/15/844546815.db2.gz GCIZICBGBUVRJU-PIAMENMFSA-N 0 0 392.322 3.690 10 0 GHAERN Cc1c(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)[nH]c2c1C(=O)CCC2 ZINC000408088175 840614571 /nfs/dbraw/zinc/61/45/71/840614571.db2.gz HMFOLVNOSIHZRN-FQEVSTJZSA-N 0 0 376.378 3.831 10 0 GHAERN C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)CC(C)(C)C1 ZINC000183962662 840723848 /nfs/dbraw/zinc/72/38/48/840723848.db2.gz PNSHWCLVRAHXBI-DLBZAZTESA-N 0 0 390.572 3.864 10 0 GHAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000277035723 844579157 /nfs/dbraw/zinc/57/91/57/844579157.db2.gz AIZFIDCSZXXMCF-ROUUACIJSA-N 0 0 393.915 3.611 10 0 GHAERN O=C(NCc1ccccc1Br)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408147736 841155936 /nfs/dbraw/zinc/15/59/36/841155936.db2.gz IBTYUFOIBBCGML-DJIMGWMZSA-N 0 0 381.314 3.674 10 0 GHAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119808684 841229893 /nfs/dbraw/zinc/22/98/93/841229893.db2.gz XZIUPGFGQRDMJG-XIKOKIGWSA-N 0 0 377.282 3.698 10 0 GHAERN Cc1csc([C@@H]2CCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)n1 ZINC000328775401 841326209 /nfs/dbraw/zinc/32/62/09/841326209.db2.gz SIPVWMHXMSUPIQ-AWEZNQCLSA-N 0 0 384.461 3.957 10 0 GHAERN C[C@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)C1 ZINC000328785461 841393260 /nfs/dbraw/zinc/39/32/60/841393260.db2.gz WEZZROAXCZADKO-XSLAGTTESA-N 0 0 376.545 3.612 10 0 GHAERN Cc1ccn(C(=O)c2cnn(CCC(F)(F)F)c2)c(=NC2CCCCC2)c1 ZINC000588426023 842050891 /nfs/dbraw/zinc/05/08/91/842050891.db2.gz ZNWSEVUGTDKVOP-UHFFFAOYSA-N 0 0 380.414 3.867 10 0 GHAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000408290559 842097015 /nfs/dbraw/zinc/09/70/15/842097015.db2.gz QDGLJBBIBWYEIF-SUMWQHHRSA-N 0 0 394.928 3.596 10 0 GHAERN C[C@@H]1CCC[C@@H](CC(=O)N2CCOC[C@H]2c2nnc(-c3cccs3)o2)C1 ZINC000329322230 861285605 /nfs/dbraw/zinc/28/56/05/861285605.db2.gz RTCMJGKKKLDVEX-KFWWJZLASA-N 0 0 375.494 3.914 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)CC2)oc1C ZINC000153091659 842256825 /nfs/dbraw/zinc/25/68/25/842256825.db2.gz HTRWNIKKNZWSQH-FOIQADDNSA-N 0 0 382.508 3.757 10 0 GHAERN C[C@@H]1CC(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000094149250 842427355 /nfs/dbraw/zinc/42/73/55/842427355.db2.gz JNJNFHUZSQEYCW-CHWSQXEVSA-N 0 0 396.890 3.860 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc2ccc(Cl)cc2n1 ZINC000588434350 842480071 /nfs/dbraw/zinc/48/00/71/842480071.db2.gz GCQHRUHFJTVXGZ-PLNGDYQASA-N 0 0 375.856 3.699 10 0 GHAERN CCOc1cc2c(cc1CN1C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C1=O)O[C@@H](C)C2 ZINC000329368975 861335868 /nfs/dbraw/zinc/33/58/68/861335868.db2.gz LKVBRUMOBZQLHD-USJZOSNVSA-N 0 0 384.476 3.504 10 0 GHAERN CC1(C)CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC(C)(C)O1 ZINC000408434999 842745038 /nfs/dbraw/zinc/74/50/38/842745038.db2.gz KPTCBPWBNPSZBG-UHFFFAOYSA-N 0 0 398.294 3.995 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000408366882 842902199 /nfs/dbraw/zinc/90/21/99/842902199.db2.gz ORMZLINGGULWLI-CEXWTWQISA-N 0 0 378.538 3.587 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cccc(C)c2Br)c2ccccc2)[nH]1 ZINC000162915810 842909596 /nfs/dbraw/zinc/90/95/96/842909596.db2.gz JNXOMTWQQRMIFH-INIZCTEOSA-N 0 0 385.265 3.703 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)n1 ZINC000112283897 843351128 /nfs/dbraw/zinc/35/11/28/843351128.db2.gz JKYHLNIQVZUHAS-MSOLQXFVSA-N 0 0 389.565 3.586 10 0 GHAERN O=C(CCCc1c[nH]c2ccccc12)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307653 843352046 /nfs/dbraw/zinc/35/20/46/843352046.db2.gz ZBWDJMWTKZNCHP-UHFFFAOYSA-N 0 0 395.528 3.927 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000408395544 843470623 /nfs/dbraw/zinc/47/06/23/843470623.db2.gz NKKVVDUEOJGFOT-IAGOWNOFSA-N 0 0 375.423 3.636 10 0 GHAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1)c1ccccc1 ZINC000330300585 843604688 /nfs/dbraw/zinc/60/46/88/843604688.db2.gz IOBRMWUYDQDRDN-CDXJDZJCSA-N 0 0 398.528 3.741 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408263288 843653684 /nfs/dbraw/zinc/65/36/84/843653684.db2.gz CHLHUCCPUCCVSO-VQCLRJIVSA-N 0 0 389.462 3.588 10 0 GHAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000332931884 844662994 /nfs/dbraw/zinc/66/29/94/844662994.db2.gz XWAKXVQCZWPPEC-QEJZJMRPSA-N 0 0 393.318 3.616 10 0 GHAERN Clc1ccccc1-c1cnc(CSc2nnc(N3CCOCC3)s2)o1 ZINC000150921727 845081821 /nfs/dbraw/zinc/08/18/21/845081821.db2.gz IKCPNILHAWIUQG-UHFFFAOYSA-N 0 0 394.909 3.975 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1)[C@H]1Cc2ccccc2O1 ZINC000333000747 845465305 /nfs/dbraw/zinc/46/53/05/845465305.db2.gz HPFBTRUDYRNUCE-PAXLWEDBSA-N 0 0 376.456 3.643 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3csc(Cc4ccc(F)cc4)n3)CCO2)o1 ZINC000151743613 845629895 /nfs/dbraw/zinc/62/98/95/845629895.db2.gz LHEZYOBIGYNXJT-GOSISDBHSA-N 0 0 386.448 3.988 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)cc1 ZINC000151886992 845950448 /nfs/dbraw/zinc/95/04/48/845950448.db2.gz VMAMXLIDMHHIBF-RHSMWYFYSA-N 0 0 379.460 3.990 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2OC(F)F)C1 ZINC000119621998 846130852 /nfs/dbraw/zinc/13/08/52/846130852.db2.gz DILVRGPMPAIIIQ-HVHJFMEUSA-N 0 0 375.419 3.516 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccccc1OC(F)F ZINC000152032527 846162987 /nfs/dbraw/zinc/16/29/87/846162987.db2.gz YNGUHYDOJQZULI-HBWSCVEGSA-N 0 0 376.407 3.667 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000152337457 846715912 /nfs/dbraw/zinc/71/59/12/846715912.db2.gz DUBBVMUSYVGYRO-CRAIPNDOSA-N 0 0 381.476 3.855 10 0 GHAERN CN(C(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152345095 846726151 /nfs/dbraw/zinc/72/61/51/846726151.db2.gz CECCWGPBFNEXCP-QAPCUYQASA-N 0 0 387.553 3.936 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)n1 ZINC000329605006 861753149 /nfs/dbraw/zinc/75/31/49/861753149.db2.gz HDKKEKOIXAKTAR-OAHLLOKOSA-N 0 0 385.599 3.955 10 0 GHAERN Cc1cccc(C(=O)N2CCC(Cc3nccn3C)CC2)c1Br ZINC000152571407 847337268 /nfs/dbraw/zinc/33/72/68/847337268.db2.gz GZEMGHDLLFSNBM-UHFFFAOYSA-N 0 0 376.298 3.586 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(-c3ccccc3)c(C)c2)c1 ZINC000588525349 847414813 /nfs/dbraw/zinc/41/48/13/847414813.db2.gz LHRXXVYARNSLHZ-LUAWRHEFSA-N 0 0 385.467 3.746 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1nn(CC(C)C)cc1C(F)F ZINC000119895775 847418891 /nfs/dbraw/zinc/41/88/91/847418891.db2.gz OPZZOEPLDBTZIP-HNNXBMFYSA-N 0 0 379.455 3.804 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H](C)CCC3CCCCC3)CC2)n1 ZINC000115848278 847908503 /nfs/dbraw/zinc/90/85/03/847908503.db2.gz OAVWIYHANAPTEX-HZPDHXFCSA-N 0 0 377.533 3.515 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](C(F)(F)F)NC3=O)C2)sc1C ZINC000329635217 861855263 /nfs/dbraw/zinc/85/52/63/861855263.db2.gz XNTQKRMVQHBNRM-JHJVBQTASA-N 0 0 389.443 3.763 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC000588539983 848032067 /nfs/dbraw/zinc/03/20/67/848032067.db2.gz SQXXHEHXLXBGEC-KTKRTIGZSA-N 0 0 393.487 3.970 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3)CCO2)o1 ZINC000153555657 848648095 /nfs/dbraw/zinc/64/80/95/848648095.db2.gz HDIJUOXQLYZNGG-LJQANCHMSA-N 0 0 385.464 3.579 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CCO2)o1 ZINC000153806141 849034946 /nfs/dbraw/zinc/03/49/46/849034946.db2.gz WHKWXZSVZXFUAQ-HXUWFJFHSA-N 0 0 397.475 3.738 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCO2)o1 ZINC000153830856 849050436 /nfs/dbraw/zinc/05/04/36/849050436.db2.gz GDNDGWCJELMDKT-HXUWFJFHSA-N 0 0 397.475 3.706 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N1CCC[C@H](c2nccs2)C1 ZINC000153973016 849152522 /nfs/dbraw/zinc/15/25/22/849152522.db2.gz QEOLBYUMWDQHHU-ZDUSSCGKSA-N 0 0 376.551 3.610 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 ZINC000329126381 849306638 /nfs/dbraw/zinc/30/66/38/849306638.db2.gz YMTTZIYJDVMSEP-MOPGFXCFSA-N 0 0 397.544 3.862 10 0 GHAERN O=C(C[C@H]1CCCC(=O)N1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000329681191 862049776 /nfs/dbraw/zinc/04/97/76/862049776.db2.gz YDISQXSAWXQDOT-DRSNIGMVSA-N 0 0 394.475 3.516 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000156370585 849889478 /nfs/dbraw/zinc/88/94/78/849889478.db2.gz CXBYNAYCRJCNJJ-UHFFFAOYSA-N 0 0 377.286 3.669 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N(Cc1cccc(O)c1)CC1CC1 ZINC000156406207 849910425 /nfs/dbraw/zinc/91/04/25/849910425.db2.gz YFUQWDNQYRAPQD-CQSZACIVSA-N 0 0 393.409 3.678 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[C@H](c4nccs4)C3)C2)cc1 ZINC000170890671 851598244 /nfs/dbraw/zinc/59/82/44/851598244.db2.gz BTUHYHIRTVZSKA-RBUKOAKNSA-N 0 0 397.544 3.710 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c2ccccc2O1 ZINC000121058742 851795960 /nfs/dbraw/zinc/79/59/60/851795960.db2.gz CUZAHHBRSLQAAY-RBUKOAKNSA-N 0 0 393.487 3.562 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000101750364 851869530 /nfs/dbraw/zinc/86/95/30/851869530.db2.gz LCODPWZNIRXHHN-ZDUSSCGKSA-N 0 0 381.904 3.753 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000101771544 851898902 /nfs/dbraw/zinc/89/89/02/851898902.db2.gz WBGZMNQQSQZNGG-LSDHHAIUSA-N 0 0 379.932 3.983 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000101776564 851899711 /nfs/dbraw/zinc/89/97/11/851899711.db2.gz ANVZFUFJAGVCJA-LAUBAEHRSA-N 0 0 397.519 3.951 10 0 GHAERN COCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101851178 851936887 /nfs/dbraw/zinc/93/68/87/851936887.db2.gz VVBGSQPECAKFCY-BVSLBCMMSA-N 0 0 394.515 3.766 10 0 GHAERN CCOc1cccc([C@@H](C)NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000102008641 852087031 /nfs/dbraw/zinc/08/70/31/852087031.db2.gz PSBUQBKJVIJGIC-DLBZAZTESA-N 0 0 389.540 3.729 10 0 GHAERN O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000171241890 852222122 /nfs/dbraw/zinc/22/21/22/852222122.db2.gz ZMJLHZGADSMFDX-NXEZZACHSA-N 0 0 399.818 3.511 10 0 GHAERN Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000156988296 852512482 /nfs/dbraw/zinc/51/24/82/852512482.db2.gz ZWCWZFYCZSSLKD-UVLALUNPSA-N 0 0 382.504 3.847 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1CC[C@@H](O)CC12CCC2 ZINC000333890907 852691721 /nfs/dbraw/zinc/69/17/21/852691721.db2.gz XBTYVEXAQYJPJE-ZBFHGGJFSA-N 0 0 379.298 3.525 10 0 GHAERN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125269278 852950513 /nfs/dbraw/zinc/95/05/13/852950513.db2.gz MBKCLBWZEJREQG-AEFFLSMTSA-N 0 0 394.519 3.682 10 0 GHAERN O=C(Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1)N1CCc2ccccc21 ZINC000329939497 862440278 /nfs/dbraw/zinc/44/02/78/862440278.db2.gz TXBAAXILUMMODO-RXVVDRJESA-N 0 0 375.472 3.835 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]1O ZINC000333963251 853280275 /nfs/dbraw/zinc/28/02/75/853280275.db2.gz NRRUVAGONNXPNY-JCRCQARHSA-N 0 0 392.443 3.741 10 0 GHAERN C[C@]1(c2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)NC(=O)NC1=O ZINC000329962224 862462647 /nfs/dbraw/zinc/46/26/47/862462647.db2.gz PDRLLRPWWKRXAG-KSFYIVLOSA-N 0 0 393.443 3.818 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171723819 853722631 /nfs/dbraw/zinc/72/26/31/853722631.db2.gz GACVYVFSHBTPLS-HUUCEWRRSA-N 0 0 389.546 3.606 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000334063573 853845373 /nfs/dbraw/zinc/84/53/73/853845373.db2.gz CDOMNMMGRTXGFA-VXNCWWDNSA-N 0 0 398.532 3.732 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CCN[C@@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651844 854489818 /nfs/dbraw/zinc/48/98/18/854489818.db2.gz KARDXZXTPIAUTL-SJKOYZFVSA-N 0 0 385.464 3.695 10 0 GHAERN C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)N(c1nccs1)C1CCCCC1 ZINC000328711007 854517755 /nfs/dbraw/zinc/51/77/55/854517755.db2.gz RFRFJJQNFLZXOU-ZBFHGGJFSA-N 0 0 390.553 3.829 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)[nH]1 ZINC000328761924 854532349 /nfs/dbraw/zinc/53/23/49/854532349.db2.gz YKFZSOHOIIZVLJ-OAGGEKHMSA-N 0 0 389.297 3.733 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000330108535 862579998 /nfs/dbraw/zinc/57/99/98/862579998.db2.gz NTVDUPRFZAENGE-RIFZZMRRSA-N 0 0 395.434 3.846 10 0 GHAERN C[C@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692207 855132493 /nfs/dbraw/zinc/13/24/93/855132493.db2.gz PWLOJCNVWRVAFR-WSVYEEACSA-N 0 0 392.384 3.844 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1 ZINC000105972968 855159475 /nfs/dbraw/zinc/15/94/75/855159475.db2.gz GKDMBPIDOXWOJE-RDTXWAMCSA-N 0 0 392.434 3.917 10 0 GHAERN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000246976953 855351077 /nfs/dbraw/zinc/35/10/77/855351077.db2.gz OUBDBSPZDPBIDX-YWZLYKJASA-N 0 0 389.496 3.515 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)cc2c1 ZINC000069398331 856117912 /nfs/dbraw/zinc/11/79/12/856117912.db2.gz HYLNGGJXBSZITB-UHFFFAOYSA-N 0 0 379.504 3.716 10 0 GHAERN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000030996395 856136612 /nfs/dbraw/zinc/13/66/12/856136612.db2.gz PYWZOMYBUVHQKD-UHFFFAOYSA-N 0 0 390.512 3.858 10 0 GHAERN O=C(c1ccccc1OC(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042000240 856339618 /nfs/dbraw/zinc/33/96/18/856339618.db2.gz AYHIQMFAGOIUPX-UHFFFAOYSA-N 0 0 380.435 3.543 10 0 GHAERN O=C(Nc1ccccc1)Nc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000104909081 856446167 /nfs/dbraw/zinc/44/61/67/856446167.db2.gz CEBPRZPJSSSBJZ-NRFANRHFSA-N 0 0 389.455 3.664 10 0 GHAERN CN(C)c1noc([C@H]2CCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)n1 ZINC000194465488 858759984 /nfs/dbraw/zinc/75/99/84/858759984.db2.gz AXAPRFZTMVMQPW-VNVYGMHYSA-N 0 0 386.540 3.838 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1nnc2n1CCCC2 ZINC000135375571 859498523 /nfs/dbraw/zinc/49/85/23/859498523.db2.gz YLNASRLVRUAAFW-GLQYFDAESA-N 0 0 378.398 3.614 10 0 GHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000136569619 859505310 /nfs/dbraw/zinc/50/53/10/859505310.db2.gz CBQMLZSJZKOXTQ-HZPDHXFCSA-N 0 0 385.537 3.990 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3ccc(Cl)cc3Cl)C2)no1 ZINC000170881759 860421042 /nfs/dbraw/zinc/42/10/42/860421042.db2.gz NKAZJEYBQHZGRB-ZDUSSCGKSA-N 0 0 397.306 3.892 10 0 GHAERN C[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)c(F)c1 ZINC000172339437 860433402 /nfs/dbraw/zinc/43/34/02/860433402.db2.gz SDYCVWFYCCBGST-ZDUSSCGKSA-N 0 0 386.402 3.699 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000173069484 860648198 /nfs/dbraw/zinc/64/81/98/860648198.db2.gz INCLPFNUJFPXOB-CJNGLKHVSA-N 0 0 387.530 3.661 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cnn1-c1ccccc1C ZINC000173077361 860698947 /nfs/dbraw/zinc/69/89/47/860698947.db2.gz DSDXNDNPBMYNIS-GOSISDBHSA-N 0 0 379.464 3.973 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000329023855 860954121 /nfs/dbraw/zinc/95/41/21/860954121.db2.gz IWRDFCJYDLDEGW-ULQDDVLXSA-N 0 0 393.409 3.749 10 0 GHAERN CC(C)c1nnc2n1CCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C2 ZINC000329196326 861126012 /nfs/dbraw/zinc/12/60/12/861126012.db2.gz VUYRLENDUGWSBQ-UHFFFAOYSA-N 0 0 387.572 3.711 10 0 GHAERN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2nc3c(s2)CCCC3)CC1=O ZINC000176852326 863227258 /nfs/dbraw/zinc/22/72/58/863227258.db2.gz OFSBYXFIZOMYQC-RDJZCZTQSA-N 0 0 397.544 3.590 10 0 GHAERN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H](c3ccccc3)c3ccncc3)C2=O)c1 ZINC000103086517 863890972 /nfs/dbraw/zinc/89/09/72/863890972.db2.gz BPZNCTBBMPMBBA-DHIUTWEWSA-N 0 0 399.494 3.957 10 0 GHAERN COc1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc(OC)c1OC ZINC000103232026 863916142 /nfs/dbraw/zinc/91/61/42/863916142.db2.gz RCANRKTXHYPEEJ-UHFFFAOYSA-N 0 0 383.448 3.866 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(N4CCCC4=O)c3)c21 ZINC000103233832 863916976 /nfs/dbraw/zinc/91/69/76/863916976.db2.gz CXAXRZGDEBFIKY-UHFFFAOYSA-N 0 0 376.460 3.967 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(C(=O)NC(C)C)cc3)c21 ZINC000103236194 863918434 /nfs/dbraw/zinc/91/84/34/863918434.db2.gz TTWSZMCCHBIFGJ-UHFFFAOYSA-N 0 0 378.476 3.979 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@@H](C)NC(=O)c3ccc(Cl)cc3)c21 ZINC000103130161 863927466 /nfs/dbraw/zinc/92/74/66/863927466.db2.gz QHKIIIZULMANDH-CQSZACIVSA-N 0 0 383.879 3.607 10 0 GHAERN CC(C)(C)c1ncc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cn1 ZINC000103290789 863940596 /nfs/dbraw/zinc/94/05/96/863940596.db2.gz LYLSCDFITCMKCU-UHFFFAOYSA-N 0 0 383.427 3.932 10 0 GHAERN CCCn1c(C)cc(C(=O)CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1C ZINC000103472611 863999824 /nfs/dbraw/zinc/99/98/24/863999824.db2.gz AKACPBNSOTWLNH-QGZVFWFLSA-N 0 0 375.557 3.570 10 0 GHAERN CO[C@@H](C)c1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000103788017 864054141 /nfs/dbraw/zinc/05/41/41/864054141.db2.gz PILSULVSOMAZJM-KBPBESRZSA-N 0 0 379.453 3.724 10 0 GHAERN C[C@@H](NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000103734974 864075271 /nfs/dbraw/zinc/07/52/71/864075271.db2.gz KILYMZUBVSIUEQ-NWDGAFQWSA-N 0 0 385.407 3.534 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000103873174 864103015 /nfs/dbraw/zinc/10/30/15/864103015.db2.gz GCPOWVWSZCWBQM-HXUWFJFHSA-N 0 0 399.466 3.580 10 0 GHAERN O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-n2cccc2)c(F)c1 ZINC000104255049 864225761 /nfs/dbraw/zinc/22/57/61/864225761.db2.gz IFBWFTAHRWRGMD-UHFFFAOYSA-N 0 0 391.446 3.669 10 0 GHAERN O=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178103977 864502733 /nfs/dbraw/zinc/50/27/33/864502733.db2.gz QBJAQOJFIWZQKY-LAUBAEHRSA-N 0 0 385.533 3.689 10 0 GHAERN C[C@H]1SCCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)[C@H]1C ZINC000128867909 864502988 /nfs/dbraw/zinc/50/29/88/864502988.db2.gz RXBXTGQVIXYZRO-VHSXEESVSA-N 0 0 386.308 3.932 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@H]2CCCC[C@@H]12 ZINC000248418723 866203471 /nfs/dbraw/zinc/20/34/71/866203471.db2.gz KOGGBQWLSPPDBV-FFSVYQOJSA-N 0 0 385.917 3.754 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000109668713 866601021 /nfs/dbraw/zinc/60/10/21/866601021.db2.gz BVMLRLGIQIQNQT-WOJBJXKFSA-N 0 0 383.492 3.572 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1)C1CCCCC1 ZINC000151089186 866689617 /nfs/dbraw/zinc/68/96/17/866689617.db2.gz QYHZXJZUPYIACT-WMZHIEFXSA-N 0 0 384.520 3.973 10 0 GHAERN O=C(c1cccnc1SCC1CCCCC1)N1CCC[C@H](n2cncn2)C1 ZINC000115370392 866780863 /nfs/dbraw/zinc/78/08/63/866780863.db2.gz BOPCMPFRCPNSJM-KRWDZBQOSA-N 0 0 385.537 3.823 10 0 GHAERN O=C(c1ccncc1)N1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000169844688 882029835 /nfs/dbraw/zinc/02/98/35/882029835.db2.gz UMRGEHYGPMYESC-UHFFFAOYSA-N 0 0 385.467 3.737 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000170636719 882043172 /nfs/dbraw/zinc/04/31/72/882043172.db2.gz NZCTZLXFDYACEY-UHFFFAOYSA-N 0 0 396.418 3.811 10 0 GHAERN CCCC[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000170889932 882067762 /nfs/dbraw/zinc/06/77/62/882067762.db2.gz IWHBVSGIKLXYAE-HXUWFJFHSA-N 0 0 397.523 3.685 10 0 GHAERN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171641630 882119915 /nfs/dbraw/zinc/11/99/15/882119915.db2.gz VMAMAKHLWRLYKO-UONOGXRCSA-N 0 0 390.530 3.817 10 0 GHAERN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171647366 882121737 /nfs/dbraw/zinc/12/17/37/882121737.db2.gz GDRWCFVTQKYAAV-HNNXBMFYSA-N 0 0 391.924 3.713 10 0 GHAERN COc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1OC(F)F ZINC000171611424 882146107 /nfs/dbraw/zinc/14/61/07/882146107.db2.gz LUNAEUPXCCSHLZ-UHFFFAOYSA-N 0 0 376.403 3.787 10 0 GHAERN CCc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000172438321 882276244 /nfs/dbraw/zinc/27/62/44/882276244.db2.gz GTXORVPFSZGDTN-UHFFFAOYSA-N 0 0 382.479 3.599 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172482479 882288058 /nfs/dbraw/zinc/28/80/58/882288058.db2.gz AAVYZKTVLRYHPH-OALUTQOASA-N 0 0 392.484 3.716 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000172503652 882291914 /nfs/dbraw/zinc/29/19/14/882291914.db2.gz OCFXNSILLIBVLK-AWEZNQCLSA-N 0 0 378.432 3.676 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccs1 ZINC000172523408 882292558 /nfs/dbraw/zinc/29/25/58/882292558.db2.gz MPOSSBZIDHNLGH-OAHLLOKOSA-N 0 0 384.461 3.640 10 0 GHAERN O=C(Nc1ccccc1OCC1CC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172588426 882297214 /nfs/dbraw/zinc/29/72/14/882297214.db2.gz TZLZUHWJPHLYHB-QGZVFWFLSA-N 0 0 391.475 3.930 10 0 GHAERN C[C@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1cccs1 ZINC000172804754 882309623 /nfs/dbraw/zinc/30/96/23/882309623.db2.gz LQMFUPFJZMPUJK-AWEZNQCLSA-N 0 0 376.547 3.657 10 0 GHAERN CC(C)Oc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172751907 882305923 /nfs/dbraw/zinc/30/59/23/882305923.db2.gz KUSKJGJYSMETOV-QGZVFWFLSA-N 0 0 395.503 3.598 10 0 GHAERN CC(C)Oc1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172751913 882306073 /nfs/dbraw/zinc/30/60/73/882306073.db2.gz KUSKJGJYSMETOV-KRWDZBQOSA-N 0 0 395.503 3.598 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccs1 ZINC000172790345 882308108 /nfs/dbraw/zinc/30/81/08/882308108.db2.gz UNILVESOTBMPGU-GOSISDBHSA-N 0 0 385.533 3.899 10 0 GHAERN O=C(NCCc1csc2ccccc12)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172824956 882310410 /nfs/dbraw/zinc/31/04/10/882310410.db2.gz RDKZEJHLUFRFNN-UHFFFAOYSA-N 0 0 393.512 3.507 10 0 GHAERN CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000172898681 882321958 /nfs/dbraw/zinc/32/19/58/882321958.db2.gz UVVGPVNYQRPNBT-QGZVFWFLSA-N 0 0 385.533 3.825 10 0 GHAERN Cc1c(C(=O)N2CC[C@H](CSc3ccccc3)C2)cccc1N1CCNC1=O ZINC000173246160 882343296 /nfs/dbraw/zinc/34/32/96/882343296.db2.gz QGUGHOPTWCVIQS-KRWDZBQOSA-N 0 0 395.528 3.779 10 0 GHAERN O=C(C1CCN(C(=O)[C@H]2SCCc3sccc32)CC1)N1CCCCCC1 ZINC000173126068 882351458 /nfs/dbraw/zinc/35/14/58/882351458.db2.gz UYKYPDDCUQVZNX-SFHVURJKSA-N 0 0 392.590 3.720 10 0 GHAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3cn(C)c4ccccc34)CC2)C1 ZINC000173476397 882363411 /nfs/dbraw/zinc/36/34/11/882363411.db2.gz LGBOEHWZJKKSBG-BBVFFXRHSA-N 0 0 393.531 3.689 10 0 GHAERN O=C(OCc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173678714 882390894 /nfs/dbraw/zinc/39/08/94/882390894.db2.gz PUSXAERIJYYNLH-UHFFFAOYSA-N 0 0 393.270 3.984 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(N3CCCCC3)nc2)cs1 ZINC000189827501 870313989 /nfs/dbraw/zinc/31/39/89/870313989.db2.gz PYYCKSFVGMBFAU-SFHVURJKSA-N 0 0 385.537 3.612 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2cccn2)c1 ZINC000173704477 882394408 /nfs/dbraw/zinc/39/44/08/882394408.db2.gz FIXWEMRUJWDIRQ-DOTOQJQBSA-N 0 0 381.505 3.979 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(-n4cncn4)cc3C)C2)cc1 ZINC000173848706 882410190 /nfs/dbraw/zinc/41/01/90/882410190.db2.gz XVEYXZDNUCKJFU-AEFFLSMTSA-N 0 0 376.460 3.603 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)[C@@]3(C)CCCc4ccccc43)C2)c1 ZINC000102383846 882416752 /nfs/dbraw/zinc/41/67/52/882416752.db2.gz JNJLILXEIMOSSF-UUOWRZLLSA-N 0 0 378.516 3.932 10 0 GHAERN O=C(Nc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114814299 870649771 /nfs/dbraw/zinc/64/97/71/870649771.db2.gz MHJUUALSOJQEIY-AWEZNQCLSA-N 0 0 390.484 3.530 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2F)n1 ZINC000163552213 870847205 /nfs/dbraw/zinc/84/72/05/870847205.db2.gz PAPPPQAAMKVFFD-IERDGZPVSA-N 0 0 386.471 3.787 10 0 GHAERN CC(C)c1cccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000174621430 882487445 /nfs/dbraw/zinc/48/74/45/882487445.db2.gz YSQSWEZGKOEELR-UHFFFAOYSA-N 0 0 383.496 3.810 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175135541 882528439 /nfs/dbraw/zinc/52/84/39/882528439.db2.gz PMVLLAIZQYMECX-CYBMUJFWSA-N 0 0 399.665 3.680 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3coc(-c4cccs4)n3)C2)c1 ZINC000175395600 882550144 /nfs/dbraw/zinc/55/01/44/882550144.db2.gz ASASNJWOAOJNRW-AWEZNQCLSA-N 0 0 398.484 3.979 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)c1 ZINC000175412189 882553231 /nfs/dbraw/zinc/55/32/31/882553231.db2.gz NTKFYRBALCXTJJ-CQSZACIVSA-N 0 0 383.444 3.754 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)c1 ZINC000175407479 882553701 /nfs/dbraw/zinc/55/37/01/882553701.db2.gz CYBSYCSIEMCMBJ-KRWDZBQOSA-N 0 0 394.471 3.682 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000175233000 882559208 /nfs/dbraw/zinc/55/92/08/882559208.db2.gz UCHCEURHDBRTDI-CQSZACIVSA-N 0 0 382.489 3.598 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC(OCC2CCCC2)CC1 ZINC000175640995 882567911 /nfs/dbraw/zinc/56/79/11/882567911.db2.gz NBZYOBCZSZUYLP-UHFFFAOYSA-N 0 0 384.520 3.620 10 0 GHAERN O=C1C(=O)N(CN2CCO[C@H](c3ccc(Cl)cc3)C2)c2cccc(Cl)c21 ZINC000101535914 872072943 /nfs/dbraw/zinc/07/29/43/872072943.db2.gz IFLPROHCWAKJOX-INIZCTEOSA-N 0 0 391.254 3.554 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000101539394 872077313 /nfs/dbraw/zinc/07/73/13/872077313.db2.gz RGBIVJPWFIYXRT-INIZCTEOSA-N 0 0 379.504 3.630 10 0 GHAERN CC(C)COC(=O)N1CCCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000101555157 872081463 /nfs/dbraw/zinc/08/14/63/872081463.db2.gz ADXYRRGXJMJLCX-UHFFFAOYSA-N 0 0 375.444 3.781 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175520692 882593055 /nfs/dbraw/zinc/59/30/55/882593055.db2.gz VTSQDBIVSMLQJN-HRCADAONSA-N 0 0 381.875 3.769 10 0 GHAERN CCC(CC)c1cc(CNC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)on1 ZINC000175902149 882613882 /nfs/dbraw/zinc/61/38/82/882613882.db2.gz UQSUWJZOWKETOQ-GOSISDBHSA-N 0 0 382.468 3.594 10 0 GHAERN C[C@H](OC(=O)CN1C(=O)CSc2ccccc21)c1cnc2ccccc2c1 ZINC000102132591 872624242 /nfs/dbraw/zinc/62/42/42/872624242.db2.gz GHZVWQHBSIVLEW-AWEZNQCLSA-N 0 0 378.453 3.978 10 0 GHAERN CC1(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)Cc2ccccc2C1 ZINC000094059497 882653259 /nfs/dbraw/zinc/65/32/59/882653259.db2.gz HPTPQRAAUSFRCH-UHFFFAOYSA-N 0 0 397.563 3.616 10 0 GHAERN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCn2ccnc21 ZINC000176312433 882677514 /nfs/dbraw/zinc/67/75/14/882677514.db2.gz NTSMHAUXXRLNCX-OAHLLOKOSA-N 0 0 375.354 3.604 10 0 GHAERN CCO[C@@H](CCNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C1CCCC1 ZINC000176508361 882700336 /nfs/dbraw/zinc/70/03/36/882700336.db2.gz DCCYZMPQWGDLBU-OALUTQOASA-N 0 0 399.539 3.604 10 0 GHAERN CCc1cccc(CC)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C)C1=O ZINC000102716386 873477163 /nfs/dbraw/zinc/47/71/63/873477163.db2.gz PTZDDDFNWMOBSI-QHCPKHFHSA-N 0 0 393.487 3.526 10 0 GHAERN O=C(Nc1c(F)cccc1NC1CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000177023208 882728641 /nfs/dbraw/zinc/72/86/41/882728641.db2.gz YECIZZMZXRQJMJ-UHFFFAOYSA-N 0 0 387.480 3.952 10 0 GHAERN C[C@H]1CCc2c(sc(=O)n2CN2CCO[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000102764671 873570175 /nfs/dbraw/zinc/57/01/75/873570175.db2.gz BACKLYULLAVJCI-GUYCJALGSA-N 0 0 378.925 3.719 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cc(Br)ccc3F)CC2)n1 ZINC000116670174 873614251 /nfs/dbraw/zinc/61/42/51/873614251.db2.gz GATPNDVAOBULJF-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN CCn1cc(CC(=O)NC2CCN(c3cccc(C)n3)CC2)c2ccccc21 ZINC000116669856 873614813 /nfs/dbraw/zinc/61/48/13/873614813.db2.gz UYTUZHULLBVUCO-UHFFFAOYSA-N 0 0 376.504 3.692 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000117633963 874078342 /nfs/dbraw/zinc/07/83/42/874078342.db2.gz JCGBCNFYWDZLPI-QVKFZJNVSA-N 0 0 387.439 3.515 10 0 GHAERN O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177505851 882808878 /nfs/dbraw/zinc/80/88/78/882808878.db2.gz IRKGMJCMEMQZAH-ZDUSSCGKSA-N 0 0 397.422 3.593 10 0 GHAERN COC(=O)N(C)CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000104229001 874217244 /nfs/dbraw/zinc/21/72/44/874217244.db2.gz WLEBPBUTJPYFDW-UHFFFAOYSA-N 0 0 387.402 3.723 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)N1CC=C(c2cccs2)CC1 ZINC000118012913 874316621 /nfs/dbraw/zinc/31/66/21/874316621.db2.gz ALTOXOIFHCHWJQ-UHFFFAOYSA-N 0 0 397.500 3.542 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCOc3c(Cl)cccc32)CC1 ZINC000177762778 882824062 /nfs/dbraw/zinc/82/40/62/882824062.db2.gz NMYNEUYODRWFRE-UHFFFAOYSA-N 0 0 390.892 3.679 10 0 GHAERN Cc1sc2ncnc(N3CCC(C(=O)N4CCc5cnccc54)CC3)c2c1C ZINC000118637531 874585782 /nfs/dbraw/zinc/58/57/82/874585782.db2.gz FYMGARSQXLTWCV-UHFFFAOYSA-N 0 0 393.516 3.509 10 0 GHAERN O=C(CN1CC[C@H](Oc2cccnc2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178039773 882859207 /nfs/dbraw/zinc/85/92/07/882859207.db2.gz PVFZFJMRRTUKNP-ZDUSSCGKSA-N 0 0 399.800 3.846 10 0 GHAERN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000178221621 882876311 /nfs/dbraw/zinc/87/63/11/882876311.db2.gz JWRRIEOOFKNCIS-SFHVURJKSA-N 0 0 391.431 3.694 10 0 GHAERN O=C1Nc2ccccc2S[C@H]1Cc1nc(-c2ccc(Br)o2)no1 ZINC000178278849 882880924 /nfs/dbraw/zinc/88/09/24/882880924.db2.gz OJGBSJXOKSTWAF-NSHDSACASA-N 0 0 392.234 3.748 10 0 GHAERN CC/C(=C\C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccc(OC)cc1 ZINC000178503088 882898660 /nfs/dbraw/zinc/89/86/60/882898660.db2.gz GYBIQDXAPVHVQY-JQIJEIRASA-N 0 0 397.475 3.662 10 0 GHAERN COc1cc2c(cc1OC)C(=O)N[C@H](c1ccc(-c3ccncc3)cc1F)N2 ZINC000178893808 882963043 /nfs/dbraw/zinc/96/30/43/882963043.db2.gz SBEVLXBAVTTZNA-HXUWFJFHSA-N 0 0 379.391 3.759 10 0 GHAERN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)Nc1ccccc1 ZINC000102437202 882969267 /nfs/dbraw/zinc/96/92/67/882969267.db2.gz VYSHPLLVQNWNIY-UHFFFAOYSA-N 0 0 381.457 3.809 10 0 GHAERN COc1ccc(OC)c(CCCNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000179382233 882966981 /nfs/dbraw/zinc/96/69/81/882966981.db2.gz OWWIQUREANQCRW-MRXNPFEDSA-N 0 0 389.521 3.682 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2ncc(Br)s2)c2ccccc2)[nH]1 ZINC000179223123 882980970 /nfs/dbraw/zinc/98/09/70/882980970.db2.gz BWQQQJXFLVOPEI-TVQRCGJNSA-N 0 0 378.299 3.772 10 0 GHAERN COc1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)sc1Br ZINC000179561409 883009845 /nfs/dbraw/zinc/00/98/45/883009845.db2.gz HRRMMBPCQLOCEE-LBPRGKRZSA-N 0 0 386.267 3.634 10 0 GHAERN COc1ccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c(OC(F)F)c1 ZINC000179752759 883024519 /nfs/dbraw/zinc/02/45/19/883024519.db2.gz GXIMGPRFGONPJZ-UHFFFAOYSA-N 0 0 396.478 3.911 10 0 GHAERN CCCN(C(=O)C[C@@H](O)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179778722 883026707 /nfs/dbraw/zinc/02/67/07/883026707.db2.gz GQJNXOGQFGKDIT-JOCHJYFZSA-N 0 0 394.515 3.654 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(F)c(F)c1 ZINC000179948323 883040710 /nfs/dbraw/zinc/04/07/10/883040710.db2.gz PDHWMIXXQCBBBJ-CJNGLKHVSA-N 0 0 381.448 3.698 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Cc3cccc(OCc4cccnc4)c3)CCO2)o1 ZINC000180739906 883097017 /nfs/dbraw/zinc/09/70/17/883097017.db2.gz FOXRFKKNZSAZJG-JOCHJYFZSA-N 0 0 392.455 3.705 10 0 GHAERN COc1ccccc1C(C)(C)NC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000121604490 877467094 /nfs/dbraw/zinc/46/70/94/877467094.db2.gz GUWMZGHVOUAFCQ-SFHVURJKSA-N 0 0 398.438 3.850 10 0 GHAERN C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Cl)s1 ZINC000130355155 878306715 /nfs/dbraw/zinc/30/67/15/878306715.db2.gz OJIDHYCTBKZEDB-TZMCWYRMSA-N 0 0 383.945 3.943 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)nc21 ZINC000122997305 879772604 /nfs/dbraw/zinc/77/26/04/879772604.db2.gz MQXVHCCNXRMNKH-NVXWUHKLSA-N 0 0 383.517 3.980 10 0 GHAERN O=C(Nc1cccc(CCC(F)(F)F)c1)Nc1cccnc1-n1cncn1 ZINC000123301009 880273116 /nfs/dbraw/zinc/27/31/16/880273116.db2.gz CICUNJBCHSDGIO-UHFFFAOYSA-N 0 0 376.342 3.801 10 0 GHAERN COCc1ccsc1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000181300458 883136012 /nfs/dbraw/zinc/13/60/12/883136012.db2.gz BWFUTVYVGHXYFM-OAHLLOKOSA-N 0 0 396.306 3.871 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccn1)N1CCC(Nc2ccccc2F)CC1 ZINC000181150975 883150351 /nfs/dbraw/zinc/15/03/51/883150351.db2.gz YSQYKQXBEWPNTD-UHFFFAOYSA-N 0 0 394.454 3.574 10 0 GHAERN C[C@@H](OC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1nc2ccccc2o1 ZINC000181733566 883177338 /nfs/dbraw/zinc/17/73/38/883177338.db2.gz INNYEBCZMOETLW-RHSMWYFYSA-N 0 0 379.416 3.522 10 0 GHAERN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000181921536 883193776 /nfs/dbraw/zinc/19/37/76/883193776.db2.gz LHVXTQBOUNEAMG-DAFODLJHSA-N 0 0 394.302 3.602 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182102215 883205398 /nfs/dbraw/zinc/20/53/98/883205398.db2.gz BZSGPYVCZLUVPO-LLVKDONJSA-N 0 0 393.925 3.939 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccc([S@](C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182736784 883233084 /nfs/dbraw/zinc/23/30/84/883233084.db2.gz SKNBCHSISUKMJB-WRINKVIFSA-N 0 0 398.528 3.682 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3c[nH]c(C)c(Br)c3=O)CC2)n1 ZINC000183158581 883241533 /nfs/dbraw/zinc/24/15/33/883241533.db2.gz NIAKDAFVUBJLOV-UHFFFAOYSA-N 0 0 396.310 3.643 10 0 GHAERN CCS[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000183207531 883272986 /nfs/dbraw/zinc/27/29/86/883272986.db2.gz ODAPNLNDFGNPDK-GVDBMIGSSA-N 0 0 391.585 3.915 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2cccs2)c2ccc(F)cc2C1 ZINC000184034571 883301944 /nfs/dbraw/zinc/30/19/44/883301944.db2.gz WPKVKCFUVHCZBS-SJKOYZFVSA-N 0 0 375.469 3.741 10 0 GHAERN Cc1oc2ccccc2c1CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000184049923 883331054 /nfs/dbraw/zinc/33/10/54/883331054.db2.gz HPGBQYHUYVKNGC-UHFFFAOYSA-N 0 0 382.485 3.971 10 0 GHAERN O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCSC[C@H]1c1nccs1 ZINC000184498940 883361951 /nfs/dbraw/zinc/36/19/51/883361951.db2.gz RCGUKYFSSKYOIM-LXXRFIIISA-N 0 0 382.514 3.659 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)ccc1NC(=O)c1ccco1 ZINC000184629069 883368874 /nfs/dbraw/zinc/36/88/74/883368874.db2.gz JAXVCEOIJOBJFA-INIZCTEOSA-N 0 0 394.435 3.718 10 0 GHAERN CC(C)(C)C[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C(F)(F)F ZINC000184647562 883371490 /nfs/dbraw/zinc/37/14/90/883371490.db2.gz VEVVFZRTIKAELB-ZIAGYGMSSA-N 0 0 397.445 3.985 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@H](c1ccccc1)c1cccnc1 ZINC000185123356 883423633 /nfs/dbraw/zinc/42/36/33/883423633.db2.gz DLRGFCPAQZETRX-HSZRJFAPSA-N 0 0 390.439 3.577 10 0 GHAERN CC(C)[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000102464379 883426392 /nfs/dbraw/zinc/42/63/92/883426392.db2.gz DBCQTHTZUYMEJT-MRXNPFEDSA-N 0 0 387.446 3.959 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)CCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185538172 883552899 /nfs/dbraw/zinc/55/28/99/883552899.db2.gz GDXDOTVCHNXGIZ-OPAMFIHVSA-N 0 0 398.478 3.840 10 0 GHAERN COc1c(C)cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185546936 883554180 /nfs/dbraw/zinc/55/41/80/883554180.db2.gz JZKABPDGUJPCSK-FQEVSTJZSA-N 0 0 384.451 3.674 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc3ccccc3n2)c2ccc(F)cc2C1 ZINC000185540842 883554264 /nfs/dbraw/zinc/55/42/64/883554264.db2.gz DZQDCGYHOGXSQA-HXUWFJFHSA-N 0 0 377.419 3.597 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000185558309 883556664 /nfs/dbraw/zinc/55/66/64/883556664.db2.gz FHHRBILXUWAKPZ-QKKBWIMNSA-N 0 0 386.442 3.753 10 0 GHAERN CCN(CC)c1ccc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185685464 883573476 /nfs/dbraw/zinc/57/34/76/883573476.db2.gz BXYFSTPEUUERQU-JOCHJYFZSA-N 0 0 397.494 3.895 10 0 GHAERN COc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1NC(C)=O ZINC000186049317 883608045 /nfs/dbraw/zinc/60/80/45/883608045.db2.gz MRQYSVTUERQIRF-OAHLLOKOSA-N 0 0 376.460 3.961 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186052047 883608164 /nfs/dbraw/zinc/60/81/64/883608164.db2.gz COOWBYHKUBKLNR-INIZCTEOSA-N 0 0 396.516 3.756 10 0 GHAERN CN(C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000186577854 883664204 /nfs/dbraw/zinc/66/42/04/883664204.db2.gz RQCPCRNVAZJAIK-LJQANCHMSA-N 0 0 393.491 3.797 10 0 GHAERN COc1ccc(Cl)cc1CN(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186642941 883678984 /nfs/dbraw/zinc/67/89/84/883678984.db2.gz ANTKQHKQICJNTK-UHFFFAOYSA-N 0 0 388.855 3.990 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)n1 ZINC000186783266 883702057 /nfs/dbraw/zinc/70/20/57/883702057.db2.gz BAXKCMZWOSDBDK-OAHLLOKOSA-N 0 0 396.413 3.578 10 0 GHAERN CC(C)(C)c1csc(CCNC(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000187032119 883732407 /nfs/dbraw/zinc/73/24/07/883732407.db2.gz FQTKTISKXHMYNM-UHFFFAOYSA-N 0 0 393.582 3.726 10 0 GHAERN COc1cc(Cl)ccc1CNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187054279 883735379 /nfs/dbraw/zinc/73/53/79/883735379.db2.gz HSFWFZPLLYWFMN-UHFFFAOYSA-N 0 0 380.901 3.591 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2csc(C)n2)cc2c1OCCO2 ZINC000187129996 883749056 /nfs/dbraw/zinc/74/90/56/883749056.db2.gz BKUZFXOWRZOMEA-SQRWCISFSA-N 0 0 386.473 3.608 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2ncc(Br)cc2F)c2ccccc2)[nH]1 ZINC000187149724 883753649 /nfs/dbraw/zinc/75/36/49/883753649.db2.gz UMHJDOUFYZUTEF-HWPZZCPQSA-N 0 0 390.260 3.850 10 0 GHAERN O=C(CCCCCc1ccc(F)cc1)N1CCC(c2ccnn2CCO)CC1 ZINC000187327565 883770678 /nfs/dbraw/zinc/77/06/78/883770678.db2.gz MCGJHLCEXSFRFU-UHFFFAOYSA-N 0 0 387.499 3.524 10 0 GHAERN O=C(c1cc(Br)ncc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000187533257 883799579 /nfs/dbraw/zinc/79/95/79/883799579.db2.gz VSAQETCVNOYIPX-SECBINFHSA-N 0 0 386.702 3.974 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccc(Oc4cccnc4)c(C)c3)CC2)n[nH]1 ZINC000187862563 883809988 /nfs/dbraw/zinc/80/99/88/883809988.db2.gz GNPUXKHUZKEPQY-UHFFFAOYSA-N 0 0 392.463 3.568 10 0 GHAERN C[C@](O)(CCNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccccc1 ZINC000188350858 883837111 /nfs/dbraw/zinc/83/71/11/883837111.db2.gz NPRLQQKNNJRGFU-QHCPKHFHSA-N 0 0 392.503 3.750 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3nn(-c4c(F)cccc4F)cc3C)CCO2)o1 ZINC000188555782 883858440 /nfs/dbraw/zinc/85/84/40/883858440.db2.gz KGWUQDLMXORJAV-QGZVFWFLSA-N 0 0 387.386 3.574 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1csc(Br)c1)[C@H]2C ZINC000188742415 883864987 /nfs/dbraw/zinc/86/49/87/883864987.db2.gz GRZIMAKCBXFIRT-ZWNMCFTASA-N 0 0 395.326 3.842 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000188680442 883870364 /nfs/dbraw/zinc/87/03/64/883870364.db2.gz IQDLOCKUSGIZCD-INIZCTEOSA-N 0 0 393.468 3.697 10 0 GHAERN Fc1ccc(CN2CCC[C@@H](N[C@H](c3ncc[nH]3)c3ccncc3)C2)c(Cl)c1 ZINC000189120249 883921447 /nfs/dbraw/zinc/92/14/47/883921447.db2.gz NPWVXEJSRWKJCB-QUCCMNQESA-N 0 0 399.901 3.941 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccsc3Cl)CC2)n1 ZINC000189335001 883938215 /nfs/dbraw/zinc/93/82/15/883938215.db2.gz GZHSZSOKAOYALB-UHFFFAOYSA-N 0 0 379.917 3.977 10 0 GHAERN O=C(Nc1ncccc1OCC1CCCCC1)N1CCC(Cn2cncn2)CC1 ZINC000189395766 883943232 /nfs/dbraw/zinc/94/32/32/883943232.db2.gz KVZJFNIJVWZLPD-UHFFFAOYSA-N 0 0 398.511 3.576 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000189676493 883984716 /nfs/dbraw/zinc/98/47/16/883984716.db2.gz XORKICDUSACTEN-HNNXBMFYSA-N 0 0 387.242 3.780 10 0 GHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189785710 883994755 /nfs/dbraw/zinc/99/47/55/883994755.db2.gz UUJRKIXEXFAXRY-UHFFFAOYSA-N 0 0 375.419 3.533 10 0 GHAERN O=C(CCCc1nc2ccccc2[nH]1)N1CC2(CCOCC2)c2ccccc21 ZINC000189805840 884012513 /nfs/dbraw/zinc/01/25/13/884012513.db2.gz BIYZOJNJLQZPMV-UHFFFAOYSA-N 0 0 375.472 3.981 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000190073217 884036254 /nfs/dbraw/zinc/03/62/54/884036254.db2.gz KJWZSCYCQSMCNU-ROUUACIJSA-N 0 0 387.455 3.708 10 0 GHAERN O=C(Cc1ccc(Br)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190398976 884059332 /nfs/dbraw/zinc/05/93/32/884059332.db2.gz YZXMKHJLKCHSRL-UHFFFAOYSA-N 0 0 398.301 3.690 10 0 GHAERN NC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1cccs1 ZINC000190265165 884063494 /nfs/dbraw/zinc/06/34/94/884063494.db2.gz YISXNTQTYFJEKD-MLGOLLRUSA-N 0 0 393.459 3.532 10 0 GHAERN CC(C)(CNC(=O)N1CCC(n2cncn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000190584880 884090634 /nfs/dbraw/zinc/09/06/34/884090634.db2.gz DPPGFYSFKUVWNX-UHFFFAOYSA-N 0 0 395.429 3.621 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(C(=O)NCC4CC4)ccc3C)CCO2)o1 ZINC000190594761 884091328 /nfs/dbraw/zinc/09/13/28/884091328.db2.gz NAXFMENFULVPFU-FQEVSTJZSA-N 0 0 397.475 3.642 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000102826098 884486212 /nfs/dbraw/zinc/48/62/12/884486212.db2.gz VDVXQCNFIIORGB-QVKFZJNVSA-N 0 0 384.451 3.765 10 0 GHAERN NC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000105401796 884753246 /nfs/dbraw/zinc/75/32/46/884753246.db2.gz ZWIHHGMJYKNJES-JKSUJKDBSA-N 0 0 379.685 3.906 10 0 GHAERN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc(-c4ccoc4)no3)C2=O)cc1 ZINC000105571247 884813079 /nfs/dbraw/zinc/81/30/79/884813079.db2.gz DZBKMWPTRGKZNS-OAQYLSRUSA-N 0 0 394.431 3.594 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)[C@@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711493 884840544 /nfs/dbraw/zinc/84/05/44/884840544.db2.gz IVAWFMBTTDQICD-QYOLQKOISA-N 0 0 393.852 3.567 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000105728078 884845453 /nfs/dbraw/zinc/84/54/53/884845453.db2.gz WGXRZBNUPKZCDG-FQEVSTJZSA-N 0 0 396.834 3.747 10 0 GHAERN COc1ccc([C@H](C)NC(=O)c2ccc(OCC(F)(F)F)nc2)c(OC)c1 ZINC000105864969 884896737 /nfs/dbraw/zinc/89/67/37/884896737.db2.gz ZFPUBYZDRUHSRN-NSHDSACASA-N 0 0 384.354 3.531 10 0 GHAERN CCOc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1F ZINC000105984993 884939707 /nfs/dbraw/zinc/93/97/07/884939707.db2.gz FUTRERCUNAKWKF-UHFFFAOYSA-N 0 0 382.439 3.622 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1)c1ccccc1 ZINC000105987973 884941337 /nfs/dbraw/zinc/94/13/37/884941337.db2.gz WDDNAPCJJLDPLR-BEVDRBHNSA-N 0 0 394.471 3.705 10 0 GHAERN CCOc1ccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000103974726 885206249 /nfs/dbraw/zinc/20/62/49/885206249.db2.gz DTNQEOOPHFBILH-MRXNPFEDSA-N 0 0 386.467 3.752 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)[C@@H](C)C(=O)Nc3ccccc3C)n2)c1 ZINC000105689877 886019438 /nfs/dbraw/zinc/01/94/38/886019438.db2.gz YDHZYRAJDBKMBX-KUNJGFBQSA-N 0 0 383.473 3.629 10 0 GHAERN COCCn1c(C)c(C)nc1[S@](=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000108068909 886061143 /nfs/dbraw/zinc/06/11/43/886061143.db2.gz KBVSLARWTVFAMQ-SANMLTNESA-N 0 0 393.896 3.763 10 0 GHAERN C[C@@H](NC(=O)Nc1cccnc1-n1cncn1)c1ccc(C(F)(F)F)cc1 ZINC000108923998 886091201 /nfs/dbraw/zinc/09/12/01/886091201.db2.gz BMJRQNQEZZVZLR-LLVKDONJSA-N 0 0 376.342 3.564 10 0 GHAERN O=C(Nc1nc(-c2ccc[nH]2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000029351246 886206021 /nfs/dbraw/zinc/20/60/21/886206021.db2.gz CDPSIQUJNAZZPG-UHFFFAOYSA-N 0 0 398.463 3.768 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000110762623 886208996 /nfs/dbraw/zinc/20/89/96/886208996.db2.gz OMGYGQIDSUMGSZ-MZEUMTGBSA-N 0 0 380.492 3.820 10 0 GHAERN O=C(NC[C@@H]1CCc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000111878546 886241279 /nfs/dbraw/zinc/24/12/79/886241279.db2.gz DFAPDBNGZYORJE-FQEVSTJZSA-N 0 0 383.536 3.541 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000112394623 886261590 /nfs/dbraw/zinc/26/15/90/886261590.db2.gz MRQDDCJSGATHFA-UHFFFAOYSA-N 0 0 380.469 3.595 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112423749 886262965 /nfs/dbraw/zinc/26/29/65/886262965.db2.gz KANWGGIUFYZQAV-UHFFFAOYSA-N 0 0 387.505 3.665 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(F)c1 ZINC000114820676 886328856 /nfs/dbraw/zinc/32/88/56/886328856.db2.gz QKAHKVCBUOHRFY-DOTOQJQBSA-N 0 0 399.495 3.694 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@@H](c2ncccc2C)C(C)C)c2ccccc2)[nH]1 ZINC000115840891 886350761 /nfs/dbraw/zinc/35/07/61/886350761.db2.gz HPKOYKIYAAHUKT-IEBWSBKVSA-N 0 0 378.480 3.602 10 0 GHAERN CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@H](c3cnn(C)c3)C2)cc1OC ZINC000116119514 886355075 /nfs/dbraw/zinc/35/50/75/886355075.db2.gz SVNUWKNGBLZUCC-NFAHFFEMSA-N 0 0 389.883 3.510 10 0 GHAERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000117708457 886390675 /nfs/dbraw/zinc/39/06/75/886390675.db2.gz LGASJSGGNBTUQQ-GUYCJALGSA-N 0 0 385.291 3.517 10 0 GHAERN O=C(CCCNC(=O)c1ccc(F)cc1F)N1CC=C(c2cccs2)CC1 ZINC000117719469 886391576 /nfs/dbraw/zinc/39/15/76/886391576.db2.gz MNHZLLSFFOFCHV-UHFFFAOYSA-N 0 0 390.455 3.852 10 0 GHAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856646 886394820 /nfs/dbraw/zinc/39/48/20/886394820.db2.gz BWTBUZPGDOGHQR-HXUWFJFHSA-N 0 0 393.512 3.593 10 0 GHAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000117804999 886394958 /nfs/dbraw/zinc/39/49/58/886394958.db2.gz LLZZSYAPXWUQJA-SJLPKXTDSA-N 0 0 376.460 3.645 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)cc2)n1 ZINC000119026313 886422537 /nfs/dbraw/zinc/42/25/37/886422537.db2.gz ZLQSSZKQZXGVNV-LJQANCHMSA-N 0 0 375.432 3.532 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000119952556 886491168 /nfs/dbraw/zinc/49/11/68/886491168.db2.gz GBTHWFQQWXPFTN-CQSZACIVSA-N 0 0 379.455 3.713 10 0 GHAERN C[C@@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccncc1 ZINC000120264150 886509633 /nfs/dbraw/zinc/50/96/33/886509633.db2.gz UWZYJRZWZDKHME-NAZJXLNTSA-N 0 0 388.512 3.715 10 0 GHAERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000332808979 886549177 /nfs/dbraw/zinc/54/91/77/886549177.db2.gz GTNZMRQHGGSXIG-RFGFWPKPSA-N 0 0 387.402 3.652 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CCO2)o1 ZINC000332983800 886564292 /nfs/dbraw/zinc/56/42/92/886564292.db2.gz ZZGIEYILDIVYMQ-WBAXXEDZSA-N 0 0 384.480 3.915 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)nc1 ZINC000124802776 886800114 /nfs/dbraw/zinc/80/01/14/886800114.db2.gz WFEIOAKUGQVCMM-SFTDATJTSA-N 0 0 394.519 3.578 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1nc(Cl)ccc1Cl ZINC000043046505 886827899 /nfs/dbraw/zinc/82/78/99/886827899.db2.gz NYFCHXCWESPBGE-UHFFFAOYSA-N 0 0 384.307 3.690 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000043064409 886828003 /nfs/dbraw/zinc/82/80/03/886828003.db2.gz BUJGUWNYRPFQRR-UHFFFAOYSA-N 0 0 396.462 3.518 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125822066 886903753 /nfs/dbraw/zinc/90/37/53/886903753.db2.gz AXNWPFDNMHSLKX-CMDGGOBGSA-N 0 0 375.476 3.632 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3CCCC[C@@H]([NH+]4CCN(C)CC4)C3)cc21 ZINC000126457918 886970274 /nfs/dbraw/zinc/97/02/74/886970274.db2.gz UKHNWOQCQRVUGX-OAQYLSRUSA-N 0 0 397.567 3.685 10 0 GHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000127327064 887052189 /nfs/dbraw/zinc/05/21/89/887052189.db2.gz NRUIYZRLCPDSFJ-GDBMZVCRSA-N 0 0 395.429 3.739 10 0 GHAERN CC(C)[C@@H]1CCc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000127841492 887110742 /nfs/dbraw/zinc/11/07/42/887110742.db2.gz BYLVJALFDAXKFA-NRFANRHFSA-N 0 0 391.515 3.938 10 0 GHAERN Cc1cccc(CSCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000046335175 887181391 /nfs/dbraw/zinc/18/13/91/887181391.db2.gz JZQVTMXLCVHAFZ-SFHVURJKSA-N 0 0 384.549 3.910 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046373537 887182771 /nfs/dbraw/zinc/18/27/71/887182771.db2.gz GVDRNAJMKQULRK-UHFFFAOYSA-N 0 0 387.237 3.774 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)NCc1ccccc1OC1CCCC1 ZINC000046780089 887226885 /nfs/dbraw/zinc/22/68/85/887226885.db2.gz XBCXMUWSKKVXEZ-UHFFFAOYSA-N 0 0 392.459 3.702 10 0 GHAERN Cc1nc([C@H](NC(=O)Nc2cnc(Cl)cc2C)c2ccccc2F)no1 ZINC000131984080 887595461 /nfs/dbraw/zinc/59/54/61/887595461.db2.gz ZUALSASRACMRTN-OAHLLOKOSA-N 0 0 375.791 3.785 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000133365200 887755095 /nfs/dbraw/zinc/75/50/95/887755095.db2.gz CTBGUWAXPHFECX-VQIMIIECSA-N 0 0 385.439 3.724 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000133540502 887775091 /nfs/dbraw/zinc/77/50/91/887775091.db2.gz CFOLSZULCZPEAJ-AWEZNQCLSA-N 0 0 376.892 3.778 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]([C@H](O)c4nccn4C)C3)o2)cc1 ZINC000134372385 887864167 /nfs/dbraw/zinc/86/41/67/887864167.db2.gz FLVAYWSMZYLDQB-NQIIRXRSSA-N 0 0 393.487 3.828 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000054586413 888281189 /nfs/dbraw/zinc/28/11/89/888281189.db2.gz DCOZGEMXLWUPCA-UHFFFAOYSA-N 0 0 398.478 3.735 10 0 GHAERN C[C@]1(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1(Cl)Cl ZINC000055655232 888326575 /nfs/dbraw/zinc/32/65/75/888326575.db2.gz RSGBUJUSKAAOAH-MRXNPFEDSA-N 0 0 389.710 3.598 10 0 GHAERN Cc1csc(N2CCCN(C(=O)Nc3ccccc3N3CCCC3)CC2)n1 ZINC000056552140 888365910 /nfs/dbraw/zinc/36/59/10/888365910.db2.gz RNEOBXQWUVSHIQ-UHFFFAOYSA-N 0 0 385.537 3.796 10 0 GHAERN CSc1ccc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000056944049 888384531 /nfs/dbraw/zinc/38/45/31/888384531.db2.gz LNLFLEWEEYIHEI-UHFFFAOYSA-N 0 0 389.565 3.733 10 0 GHAERN COc1cccc2c1CCN(C(=O)c1nn(CC(C)C)cc1C(F)F)CC2 ZINC000193781445 888523530 /nfs/dbraw/zinc/52/35/30/888523530.db2.gz JTXRBHGGODLHNC-UHFFFAOYSA-N 0 0 377.435 3.726 10 0 GHAERN CCC[C@@]1(COC)CCCN1C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000194114489 888558101 /nfs/dbraw/zinc/55/81/01/888558101.db2.gz BOZGOSRKLSTFKL-XLIONFOSSA-N 0 0 390.459 3.597 10 0 GHAERN O=C(NCCc1ccccc1Cl)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000194498083 888592344 /nfs/dbraw/zinc/59/23/44/888592344.db2.gz OWCCRORWMAXVRB-INIZCTEOSA-N 0 0 383.883 3.514 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000194659370 888603812 /nfs/dbraw/zinc/60/38/12/888603812.db2.gz LLELYJIDPKOTCB-HZPDHXFCSA-N 0 0 386.377 3.706 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cn1 ZINC000194690199 888605779 /nfs/dbraw/zinc/60/57/79/888605779.db2.gz IBNDHFLMCBKLBH-ZDUSSCGKSA-N 0 0 389.858 3.604 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)CC1 ZINC000194729687 888616238 /nfs/dbraw/zinc/61/62/38/888616238.db2.gz HDYHGKZXEXWSHF-FGZHOGPDSA-N 0 0 398.547 3.651 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CCC(OC4CCCC4)CC3)ccc2[nH]1 ZINC000195398818 888660288 /nfs/dbraw/zinc/66/02/88/888660288.db2.gz BFZIGZTXNFJRDH-UHFFFAOYSA-N 0 0 384.476 3.908 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000243787409 888733595 /nfs/dbraw/zinc/73/35/95/888733595.db2.gz QIURARVIDJFOGZ-UHFFFAOYSA-N 0 0 393.487 3.753 10 0 GHAERN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(Cc1nnc(-c3ccccc3Cl)o1)C2=O ZINC000245581903 888995565 /nfs/dbraw/zinc/99/55/65/888995565.db2.gz CUWROGGUBJQWAH-SLAYPKMVSA-N 0 0 388.855 3.637 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000245680000 889212296 /nfs/dbraw/zinc/21/22/96/889212296.db2.gz JUQBWDBLGOWNLX-UAGQMJEPSA-N 0 0 390.553 3.724 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1)C(C)C ZINC000245728852 889522773 /nfs/dbraw/zinc/52/27/73/889522773.db2.gz ALXOXXTZQWDBFD-XUVXKRRUSA-N 0 0 385.508 3.523 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000245794629 889739704 /nfs/dbraw/zinc/73/97/04/889739704.db2.gz JERILTHRGBRSFL-JCURWCKSSA-N 0 0 377.872 3.768 10 0 GHAERN Cc1occc1C(=O)NC1CCN(C(=O)/C=C/c2cccc(OC(C)C)c2)CC1 ZINC000066479358 891114335 /nfs/dbraw/zinc/11/43/35/891114335.db2.gz AKUYWYZUNIQOBG-BQYQJAHWSA-N 0 0 396.487 3.809 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccncc1 ZINC000067997639 891166843 /nfs/dbraw/zinc/16/68/43/891166843.db2.gz WDCWGMTYJXPRCH-SMDDNHRTSA-N 0 0 378.259 3.619 10 0 GHAERN C[C@H](C[C@H](O)c1cccs1)NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000246492461 891281336 /nfs/dbraw/zinc/28/13/36/891281336.db2.gz GTAIPQFKUSWCLF-NFAWXSAZSA-N 0 0 386.477 3.671 10 0 GHAERN O=C(CN1CC[C@@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605226 891291477 /nfs/dbraw/zinc/29/14/77/891291477.db2.gz DFRHBQSVEADFAQ-SJCJKPOMSA-N 0 0 390.833 3.924 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2)CCO1 ZINC000246751091 891303701 /nfs/dbraw/zinc/30/37/01/891303701.db2.gz PMQFETUFRXPHKU-HRAATJIYSA-N 0 0 399.466 3.656 10 0 GHAERN Cc1csc([C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C2CC2)n1 ZINC000246770210 891305636 /nfs/dbraw/zinc/30/56/36/891305636.db2.gz WMUWGJKQXHDZGZ-BFYDXBDKSA-N 0 0 375.494 3.793 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1F ZINC000247044241 891338834 /nfs/dbraw/zinc/33/88/34/891338834.db2.gz NWTJKJTVJACDPA-MSLNHDOUSA-N 0 0 396.509 3.745 10 0 GHAERN CC(C)CO[C@H](C)c1noc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270990 891362066 /nfs/dbraw/zinc/36/20/66/891362066.db2.gz WIPGBIJLROVKHK-BZUAXINKSA-N 0 0 379.526 3.953 10 0 GHAERN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000247640900 891389602 /nfs/dbraw/zinc/38/96/02/891389602.db2.gz VPNNPIXQMVCDRQ-YXJHDRRASA-N 0 0 393.915 3.900 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@H](c2ccccc2)c2ccccn2)c1 ZINC000247901762 891398215 /nfs/dbraw/zinc/39/82/15/891398215.db2.gz GCMAFYALVRTBOJ-HSZRJFAPSA-N 0 0 376.456 3.937 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)o1 ZINC000248540260 891425841 /nfs/dbraw/zinc/42/58/41/891425841.db2.gz BEYJVCFUXLPFII-OCARLFBBSA-N 0 0 389.496 3.708 10 0 GHAERN CN1CC[C@@H](CNC(=O)N2CCSC[C@H]2c2nccs2)c2ccccc21 ZINC000248558812 891429050 /nfs/dbraw/zinc/42/90/50/891429050.db2.gz DQEULOHYHYJEDI-YOEHRIQHSA-N 0 0 388.562 3.566 10 0 GHAERN CCCOc1ccc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OCC ZINC000248809905 891471440 /nfs/dbraw/zinc/47/14/40/891471440.db2.gz BVUWREJZXFCVRX-IRXDYDNUSA-N 0 0 375.469 3.528 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000248962898 891484504 /nfs/dbraw/zinc/48/45/04/891484504.db2.gz NCVFNIZLDDWDOW-XZJROXQQSA-N 0 0 397.397 3.879 10 0 GHAERN Cc1cc(C)c(N2CC[C@@H](N(C)Cc3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249150290 891499816 /nfs/dbraw/zinc/49/98/16/891499816.db2.gz XOLANAWNTKLBHT-NFQMXDRXSA-N 0 0 384.545 3.587 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000249143688 891499892 /nfs/dbraw/zinc/49/98/92/891499892.db2.gz FZHCXBQMVXXXQR-YRXWBPOGSA-N 0 0 386.517 3.561 10 0 GHAERN C[C@](O)(CCNC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000251858121 891657143 /nfs/dbraw/zinc/65/71/43/891657143.db2.gz RNMJOCDBDLOGME-UEXGIBASSA-N 0 0 388.533 3.643 10 0 GHAERN CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152155017 892503411 /nfs/dbraw/zinc/50/34/11/892503411.db2.gz PEWIONQKKZQHOO-CBNMVNINSA-N 0 0 393.535 3.813 10 0 GHAERN C[C@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)c1c(Cl)cccc1Cl ZINC000102071164 897992781 /nfs/dbraw/zinc/99/27/81/897992781.db2.gz UHJLBMOAHOCMPZ-GFCCVEGCSA-N 0 0 386.323 3.607 10 0 GHAERN COc1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)c(OC)c1OC ZINC000105162481 898198629 /nfs/dbraw/zinc/19/86/29/898198629.db2.gz OLBFHUHDMDAWQR-UHFFFAOYSA-N 0 0 388.464 3.960 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](c3ccccc3)C3CCC3)c2)no1 ZINC000105537991 898212402 /nfs/dbraw/zinc/21/24/02/898212402.db2.gz SAUHMPNFISWQKD-LJQANCHMSA-N 0 0 390.443 3.641 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)NC[C@@H]3C[C@@H](C(C)C)c4ccccc43)CCO2)cn1 ZINC000333312602 901996755 /nfs/dbraw/zinc/99/67/55/901996755.db2.gz NTYCCAMXNAXTKW-BULFRSBZSA-N 0 0 396.535 3.913 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC[C@@H]1c1cccnc1 ZINC000333348987 902027384 /nfs/dbraw/zinc/02/73/84/902027384.db2.gz JHAUVLJHBUBSRY-VQTJNVASSA-N 0 0 392.503 3.574 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCNC[C@@H]3c3cccnc3)sc2C1 ZINC000333370533 902043413 /nfs/dbraw/zinc/04/34/13/902043413.db2.gz UZKPAWJAPJSVCD-DOTOQJQBSA-N 0 0 399.564 3.868 10 0 GHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000333511739 902148259 /nfs/dbraw/zinc/14/82/59/902148259.db2.gz MCMXNJFDGXSOIN-OALUTQOASA-N 0 0 389.565 3.822 10 0 GHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000333635008 902236735 /nfs/dbraw/zinc/23/67/35/902236735.db2.gz RMHDULNGTOOYFP-UHOFOFEASA-N 0 0 389.496 3.881 10 0 GHAERN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)cc12 ZINC000333986664 902482607 /nfs/dbraw/zinc/48/26/07/902482607.db2.gz GZHGHPLGDAKGGO-ULQDDVLXSA-N 0 0 395.528 3.937 10 0 GHAERN C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H]2C2CCCCC2)c2ccsc2S1(=O)=O ZINC000334092968 902545935 /nfs/dbraw/zinc/54/59/35/902545935.db2.gz PDDPSDDSGBNTQJ-CSFVBSKPSA-N 0 0 396.578 3.871 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179351725 906480621 /nfs/dbraw/zinc/48/06/21/906480621.db2.gz BCLXVOYEJGTGDT-OAHLLOKOSA-N 0 0 387.896 3.878 10 0 GHAERN CCOc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)cs2)cc1 ZINC000181359023 906981457 /nfs/dbraw/zinc/98/14/57/906981457.db2.gz WGPSTCHOCOQMQO-MRXNPFEDSA-N 0 0 383.477 3.694 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000181379101 906985873 /nfs/dbraw/zinc/98/58/73/906985873.db2.gz MSMSXXWLBQNNJG-SJORKVTESA-N 0 0 399.495 3.514 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184882479 907674025 /nfs/dbraw/zinc/67/40/25/907674025.db2.gz UFNYHSSRIGYHHS-OAHLLOKOSA-N 0 0 393.875 3.633 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185409982 907769623 /nfs/dbraw/zinc/76/96/23/907769623.db2.gz RBMYECHTSZMBSZ-CQSZACIVSA-N 0 0 399.842 3.800 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1OCC1CCOCC1 ZINC000186051748 907872387 /nfs/dbraw/zinc/87/23/87/907872387.db2.gz NTQGZVDVCPXVDU-SFHVURJKSA-N 0 0 399.495 3.678 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000187064139 908029525 /nfs/dbraw/zinc/02/95/25/908029525.db2.gz WARFRQLFFBYHJS-HNNXBMFYSA-N 0 0 378.881 3.782 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000189097918 908283785 /nfs/dbraw/zinc/28/37/85/908283785.db2.gz XFAHODIHKIWVSW-VQTJNVASSA-N 0 0 377.444 3.576 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000189118635 908285885 /nfs/dbraw/zinc/28/58/85/908285885.db2.gz NEMMMLCATOQMCQ-JKSUJKDBSA-N 0 0 377.872 3.589 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(Br)cc2)cs1 ZINC000189439919 908323722 /nfs/dbraw/zinc/32/37/22/908323722.db2.gz YBBTXWLAIZVCIK-AWEZNQCLSA-N 0 0 394.294 3.516 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)cs1 ZINC000190008549 908401026 /nfs/dbraw/zinc/40/10/26/908401026.db2.gz ZKDSHTDSVWTZCY-DLBZAZTESA-N 0 0 388.514 3.836 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000190082593 908421966 /nfs/dbraw/zinc/42/19/66/908421966.db2.gz MJSJMAPDWHBNIB-XKVFNRALSA-N 0 0 396.274 3.777 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000190110936 908428412 /nfs/dbraw/zinc/42/84/12/908428412.db2.gz SAJCJHGXKWNTMD-ICSRJNTNSA-N 0 0 392.459 3.963 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000190113917 908429512 /nfs/dbraw/zinc/42/95/12/908429512.db2.gz VADGHXMOOTZGNB-OALUTQOASA-N 0 0 399.495 3.608 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190129075 908434375 /nfs/dbraw/zinc/43/43/75/908434375.db2.gz OTZDOKRXVKZLOP-QZTJIDSGSA-N 0 0 387.484 3.608 10 0 GHAERN CCCOc1c(Cl)cc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1OC ZINC000190157595 908443188 /nfs/dbraw/zinc/44/31/88/908443188.db2.gz VIJJLYVBIFSKBN-GOEBONIOSA-N 0 0 395.887 3.791 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192464501 908791295 /nfs/dbraw/zinc/79/12/95/908791295.db2.gz DJRZCGZFVJZXQL-OAHLLOKOSA-N 0 0 390.285 3.815 10 0 GHAERN O=C(N(c1ccccc1)c1ccccc1)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375331139 928176841 /nfs/dbraw/zinc/17/68/41/928176841.db2.gz IOOGPYUPLINTCE-UHFFFAOYSA-N 0 0 391.471 3.948 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N([C@H](C)C(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185253168 1014576977 /nfs/dbraw/zinc/57/69/77/1014576977.db2.gz OOQCQNYSDFMLGC-JLTOFOAXSA-N 0 0 375.488 3.838 10 0 GHAERN CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 ZINC000001365853 203902926 /nfs/dbraw/zinc/90/29/26/203902926.db2.gz PQRUZSCSLCRWDQ-GFCCVEGCSA-N 0 0 393.534 3.505 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)nc1 ZINC000004192707 204031076 /nfs/dbraw/zinc/03/10/76/204031076.db2.gz KMAOMHNUMLQKLA-VXKWHMMOSA-N 0 0 383.451 3.866 10 0 GHAERN Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)c1 ZINC000004971539 204098156 /nfs/dbraw/zinc/09/81/56/204098156.db2.gz MVTQZPPEQDAMBT-UHFFFAOYSA-N 0 0 384.501 3.509 10 0 GHAERN Cc1cccc(NC(=S)C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000005588232 204141213 /nfs/dbraw/zinc/14/12/13/204141213.db2.gz PSHDFRUWHKXBHA-UHFFFAOYSA-N 0 0 387.530 3.802 10 0 GHAERN CC(=O)N1CCN(C(=O)c2c(C(C)C)nn(-c3ccc(C)cc3)c2C(C)C)CC1 ZINC000006771681 204203415 /nfs/dbraw/zinc/20/34/15/204203415.db2.gz WNNDDTXPTSKVRK-UHFFFAOYSA-N 0 0 396.535 3.732 10 0 GHAERN COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)cc1 ZINC000006781137 204204427 /nfs/dbraw/zinc/20/44/27/204204427.db2.gz SMGUBFSBDQKKLC-UHFFFAOYSA-N 0 0 382.423 3.768 10 0 GHAERN O=c1c2ccccc2n2c(-c3ccccc3O)nnc2n1Cc1ccc(F)cc1 ZINC000006781183 204204952 /nfs/dbraw/zinc/20/49/52/204204952.db2.gz HMLROPDDIQWPFR-UHFFFAOYSA-N 0 0 386.386 3.604 10 0 GHAERN CCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1Cl ZINC000006832951 204214153 /nfs/dbraw/zinc/21/41/53/204214153.db2.gz XWTDXNKFIRYDGW-WSGJVKOYSA-N 0 0 378.900 3.614 10 0 GHAERN COc1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ncccn32)cc1OC ZINC000006729137 204196030 /nfs/dbraw/zinc/19/60/30/204196030.db2.gz UUMCVRSVSMZHAA-UHFFFAOYSA-N 0 0 392.415 3.871 10 0 GHAERN Cc1cccnc1NC(=O)CCc1nc2cccnc2n1Cc1cccs1 ZINC000006737825 204196797 /nfs/dbraw/zinc/19/67/97/204196797.db2.gz WVICTWABWCXBPU-UHFFFAOYSA-N 0 0 377.473 3.816 10 0 GHAERN COc1ccc(-c2cc(-c3ccccc3OC)c3c(N)ncnc3n2)cc1OC ZINC000009694489 204320946 /nfs/dbraw/zinc/32/09/46/204320946.db2.gz GTFMCFVPHGQDHC-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Cc1c(C(=O)N2CCCCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012244065 204386637 /nfs/dbraw/zinc/38/66/37/204386637.db2.gz VYASILLATJRNHM-UHFFFAOYSA-N 0 0 387.487 3.753 10 0 GHAERN CCOC(=O)c1c(NC(=O)C(C)(C)OC(C)=O)sc2c1Cc1ccccc1-2 ZINC000022667610 204785676 /nfs/dbraw/zinc/78/56/76/204785676.db2.gz CIINWKFOGUUTKA-UHFFFAOYSA-N 0 0 387.457 3.776 10 0 GHAERN Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000028976416 204884579 /nfs/dbraw/zinc/88/45/79/204884579.db2.gz YWKLVBZNIDNGPW-UHFFFAOYSA-N 0 0 380.473 3.602 10 0 GHAERN CCn1nc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1-c1ccsc1 ZINC000034901129 204978496 /nfs/dbraw/zinc/97/84/96/204978496.db2.gz XYOGPHHHTRKZJZ-UHFFFAOYSA-N 0 0 385.489 3.621 10 0 GHAERN O=C(NC[C@H]1CCCO1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000035514262 204993056 /nfs/dbraw/zinc/99/30/56/204993056.db2.gz PIYLNHKDQGOSPG-HXUWFJFHSA-N 0 0 392.434 3.935 10 0 GHAERN COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C)cc1 ZINC000037521054 205027661 /nfs/dbraw/zinc/02/76/61/205027661.db2.gz PYWGLAGAKRKVDF-LBPRGKRZSA-N 0 0 393.270 3.880 10 0 GHAERN CCC(=O)N1CCc2ccc(OCC(=O)NCC(C)C)cc2[C@@H]1c1ccccc1 ZINC000037601317 205030024 /nfs/dbraw/zinc/03/00/24/205030024.db2.gz MVDQQVXLNPZIOP-DEOSSOPVSA-N 0 0 394.515 3.722 10 0 GHAERN COc1cccc(OC[C@H]2CN(C(=O)Nc3cccc(Cl)c3)CCO2)c1 ZINC000037608598 205030379 /nfs/dbraw/zinc/03/03/79/205030379.db2.gz JSKRQZKKKPVBDZ-GOSISDBHSA-N 0 0 376.840 3.660 10 0 GHAERN COc1ccc2c(c1)CCc1c3c(c4ccccc4n3CCO)c3c(c1-2)C(=O)NC3 ZINC000040861910 205073840 /nfs/dbraw/zinc/07/38/40/205073840.db2.gz QMLALHXGVBGFIC-UHFFFAOYSA-N 0 0 398.462 3.804 10 0 in-vivo GHAERN FC(F)(F)CNCCOc1c(Br)cccc1Br ZINC000053568186 205136694 /nfs/dbraw/zinc/13/66/94/205136694.db2.gz SDQYWEXRNBHWOT-UHFFFAOYSA-N 0 0 376.998 3.742 10 0 GHAERN COc1ccccc1-c1nc(CN2CCN(C3CCCCC3)C(=O)C2)c(C)o1 ZINC000055211667 205144781 /nfs/dbraw/zinc/14/47/81/205144781.db2.gz WXIPYLLRCROYFX-UHFFFAOYSA-N 0 0 383.492 3.636 10 0 GHAERN Cc1cccc(-c2noc(CN(C)Cc3sc(N(C)C)nc3Cl)n2)c1 ZINC000055369918 205147156 /nfs/dbraw/zinc/14/71/56/205147156.db2.gz AHAVXIILJPKENA-UHFFFAOYSA-N 0 0 377.901 3.853 10 0 GHAERN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000065149965 205213273 /nfs/dbraw/zinc/21/32/73/205213273.db2.gz IFRTUVAQGIBWSA-NSHDSACASA-N 0 0 384.436 3.794 10 0 GHAERN CSc1ccc(NC(=O)N2CC[C@@H](Cc3nc4cccnc4n3C)C2)cc1 ZINC000065292567 205227705 /nfs/dbraw/zinc/22/77/05/205227705.db2.gz GLWUOFKTFAXAAJ-AWEZNQCLSA-N 0 0 381.505 3.787 10 0 GHAERN Cc1ccc(NC(=O)Cc2nnc3ccc(C(=O)Nc4ccccc4)cn32)cc1C ZINC000065198630 205218268 /nfs/dbraw/zinc/21/82/68/205218268.db2.gz FSWIRYNIAJQYBL-UHFFFAOYSA-N 0 0 399.454 3.780 10 0 GHAERN Cc1ccc(CNC(=O)c2cc3c(n2C)CCN(Cc2cccc(F)c2)C3)o1 ZINC000065211118 205219696 /nfs/dbraw/zinc/21/96/96/205219696.db2.gz VRBZGORJNAEAEN-UHFFFAOYSA-N 0 0 381.451 3.554 10 0 GHAERN C[C@H](NC(=O)c1nc(-c2nc(-c3ccccn3)no2)cs1)c1ccccc1 ZINC000065230695 205221088 /nfs/dbraw/zinc/22/10/88/205221088.db2.gz QDSSNZHMZOCPTC-LBPRGKRZSA-N 0 0 377.429 3.746 10 0 GHAERN CC[C@H]1CO[C@@H](C)CN1C(=O)c1cc(Br)c(Br)s1 ZINC000095081967 205437968 /nfs/dbraw/zinc/43/79/68/205437968.db2.gz XCVWUUPXBWGBHF-YUMQZZPRSA-N 0 0 397.132 3.913 10 0 GHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@@H](OC(C)=O)C=C45)[C@H]3CC[C@]12C ZINC000118913546 205683377 /nfs/dbraw/zinc/68/33/77/205683377.db2.gz WELNJBGBIBZVDV-PPXZIYOYSA-N 0 0 388.504 3.801 10 0 GHAERN Cc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2noc4c2CCCC4)O3)nc1 ZINC000299756741 206184872 /nfs/dbraw/zinc/18/48/72/206184872.db2.gz FFBWNORFMKMCJA-KRWDZBQOSA-N 0 0 389.455 3.657 10 0 GHAERN COc1cccc(CC2=NO[C@H](C(=O)N(Cc3ccccc3)CC3CC3)C2)c1 ZINC000299765471 206187080 /nfs/dbraw/zinc/18/70/80/206187080.db2.gz HFPVVCSITBVLON-QFIPXVFZSA-N 0 0 378.472 3.821 10 0 GHAERN CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(I)c1 ZINC000299889471 206193133 /nfs/dbraw/zinc/19/31/33/206193133.db2.gz JVEZLHGEJMQOSP-UHFFFAOYSA-N 0 0 391.205 3.815 10 0 GHAERN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1 ZINC000003098568 570328456 /nfs/dbraw/zinc/32/84/56/570328456.db2.gz LSASHHGKFKBFER-IBGZPJMESA-N 0 0 378.428 3.839 10 0 GHAERN CC(C)CNC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000064957113 570613371 /nfs/dbraw/zinc/61/33/71/570613371.db2.gz SABRVINYQOXMQU-UHFFFAOYSA-N 0 0 392.503 3.978 10 0 GHAERN CC(C)(C)CC(=O)N1C[C@@H](c2nc(-c3ccccc3)no2)C2(C1)CCOCC2 ZINC000096310299 570616752 /nfs/dbraw/zinc/61/67/52/570616752.db2.gz FPAGSOOPOXKIDE-KRWDZBQOSA-N 0 0 383.492 3.895 10 0 GHAERN CCCc1nnc(C(=O)Nc2cccc(C(=O)N[C@H](C)Cc3ccco3)c2)s1 ZINC000033022763 570649100 /nfs/dbraw/zinc/64/91/00/570649100.db2.gz AGOLHZQEOLKKBO-CYBMUJFWSA-N 0 0 398.488 3.697 10 0 GHAERN COc1ccc(Cl)cc1C(=O)N1C[C@H](C)[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000097941125 570743221 /nfs/dbraw/zinc/74/32/21/570743221.db2.gz ZKNYJEQMAPWRGI-LRDDRELGSA-N 0 0 398.850 3.669 10 0 GHAERN CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000583615189 570800569 /nfs/dbraw/zinc/80/05/69/570800569.db2.gz PVQUAZOAOZKDFS-ULQDDVLXSA-N 0 0 388.899 3.642 10 0 GHAERN CCn1c(=O)oc2cc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)ccc21 ZINC000046010093 571010389 /nfs/dbraw/zinc/01/03/89/571010389.db2.gz HMDRXAAFRAIDSB-UHFFFAOYSA-N 0 0 391.811 3.929 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176077996 837489998 /nfs/dbraw/zinc/48/99/98/837489998.db2.gz GNMKYTOVSSEMNC-QRWLVFNGSA-N 0 0 394.512 3.822 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000105094712 837517546 /nfs/dbraw/zinc/51/75/46/837517546.db2.gz XWCRCCVBSTUXAK-SJLPKXTDSA-N 0 0 397.479 3.878 10 0 GHAERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000105805698 837589121 /nfs/dbraw/zinc/58/91/21/837589121.db2.gz BJAPBXBYNKWQSD-QGZVFWFLSA-N 0 0 380.488 3.959 10 0 GHAERN O=C(c1ncn(-c2ccccc2)n1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000156840588 834596522 /nfs/dbraw/zinc/59/65/22/834596522.db2.gz ADLPYUMKKORLHH-SFHVURJKSA-N 0 0 398.470 3.677 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000156842929 834598039 /nfs/dbraw/zinc/59/80/39/834598039.db2.gz UZSUPGPHNASVLD-UHFFFAOYSA-N 0 0 397.523 3.891 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)c1 ZINC000157180672 834788608 /nfs/dbraw/zinc/78/86/08/834788608.db2.gz TYHCVEAFXLXQIV-WMZOPIPTSA-N 0 0 388.508 3.695 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)S(=O)(=O)c1ccc3c(c1)C(=O)CCC3)CCC2 ZINC000329851144 834894495 /nfs/dbraw/zinc/89/44/95/834894495.db2.gz QNCVQISVJGPLHJ-KRWDZBQOSA-N 0 0 390.530 3.669 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3cc(Cl)cc(Cl)c3)CCO2)n1 ZINC000111701948 834981096 /nfs/dbraw/zinc/98/10/96/834981096.db2.gz JYDOUUXVVAVNGK-MRXNPFEDSA-N 0 0 383.279 3.740 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@H]3CCC(C)(C)c4ccccc43)CC2)n1 ZINC000111844813 835000028 /nfs/dbraw/zinc/00/00/28/835000028.db2.gz ZBXCKVQXBGFPJU-BEFAXECRSA-N 0 0 397.523 3.579 10 0 GHAERN CCC[C@H](NC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)C1CCCCC1 ZINC000111854678 835003633 /nfs/dbraw/zinc/00/36/33/835003633.db2.gz ZZXPDPLRXYRSAZ-QAPCUYQASA-N 0 0 377.533 3.515 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)cs1 ZINC000187065705 835069813 /nfs/dbraw/zinc/06/98/13/835069813.db2.gz SRQPBMFOSDJUCP-ICSRJNTNSA-N 0 0 397.544 3.596 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187116820 835078437 /nfs/dbraw/zinc/07/84/37/835078437.db2.gz IOAHYTFIVGCXEK-PMACEKPBSA-N 0 0 383.517 3.651 10 0 GHAERN Cc1c(CC(=O)N2CCCC[C@@H]2c2nccs2)nnn1-c1ccc(C)cc1 ZINC000329493037 835140157 /nfs/dbraw/zinc/14/01/57/835140157.db2.gz ZVHKVQAXWNRCTP-GOSISDBHSA-N 0 0 381.505 3.637 10 0 GHAERN COCCN(Cc1sccc1Br)C(=O)/C=C\c1ncccc1C ZINC000588586483 835235102 /nfs/dbraw/zinc/23/51/02/835235102.db2.gz TYPDFNDGGCXWJP-WAYWQWQTSA-N 0 0 395.322 3.902 10 0 GHAERN Cc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1NC(=O)c1ccncc1 ZINC000101524983 835302772 /nfs/dbraw/zinc/30/27/72/835302772.db2.gz HWHJHNPKPQAHPL-UHFFFAOYSA-N 0 0 399.410 3.945 10 0 GHAERN CN(C(=O)Nc1ccnn1Cc1ccc(Cl)cc1)[C@H]1CCCc2c1cnn2C ZINC000158432112 835375353 /nfs/dbraw/zinc/37/53/53/835375353.db2.gz ZEKBOYNIGBIIFY-KRWDZBQOSA-N 0 0 398.898 3.860 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)N3CCn4ccnc4C3)c2C2CC2)cc1Cl ZINC000329709801 835745329 /nfs/dbraw/zinc/74/53/29/835745329.db2.gz NHHOVPYBWBDBJO-UHFFFAOYSA-N 0 0 381.867 3.564 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000246981465 835944312 /nfs/dbraw/zinc/94/43/12/835944312.db2.gz IWGFIAQZEQXRCA-CQDKDKBSSA-N 0 0 378.398 3.614 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)[C@@H](c2ccco2)C1 ZINC000246201161 836022540 /nfs/dbraw/zinc/02/25/40/836022540.db2.gz MXKIWYLJPKTHNE-HYVNUMGLSA-N 0 0 388.489 3.681 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000246263051 836154461 /nfs/dbraw/zinc/15/44/61/836154461.db2.gz JVVYWFVLYOCMMV-SIIHOXLZSA-N 0 0 382.526 3.717 10 0 GHAERN O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333187033 844165051 /nfs/dbraw/zinc/16/50/51/844165051.db2.gz NCZIEAXYKCZRGB-HLPXUMPJSA-N 0 0 393.325 3.799 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@H](C)c4ccccc43)C2)nn1 ZINC000332712889 836487189 /nfs/dbraw/zinc/48/71/89/836487189.db2.gz OBQXMSBESCWDMM-KNBMTAEXSA-N 0 0 379.508 3.692 10 0 GHAERN Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328648993 836543778 /nfs/dbraw/zinc/54/37/78/836543778.db2.gz AMWHXYCDYVXBHQ-XIKOKIGWSA-N 0 0 381.307 3.920 10 0 GHAERN Cc1noc([C@H]2CCN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)n1 ZINC000332792980 836632313 /nfs/dbraw/zinc/63/23/13/836632313.db2.gz NHLDFBJVDWIXDS-RDJZCZTQSA-N 0 0 382.464 3.714 10 0 GHAERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122478744 836850074 /nfs/dbraw/zinc/85/00/74/836850074.db2.gz BYTDAUJGQHATSB-QRWLVFNGSA-N 0 0 384.505 3.787 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103315378 837302886 /nfs/dbraw/zinc/30/28/86/837302886.db2.gz ZCLMNLJMAMZSBD-OAQYLSRUSA-N 0 0 390.443 3.960 10 0 GHAERN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333203656 844276184 /nfs/dbraw/zinc/27/61/84/844276184.db2.gz RXLFYKBCUURABC-KCPDIGKQSA-N 0 0 397.519 3.504 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000177734119 838050590 /nfs/dbraw/zinc/05/05/90/838050590.db2.gz NTSIUHYUYSORIT-OAHLLOKOSA-N 0 0 378.476 3.908 10 0 GHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@H]3CCC(=O)NC34CCC4)cc2s1 ZINC000407985298 838398027 /nfs/dbraw/zinc/39/80/27/838398027.db2.gz MZUKGEIZDJTKLG-AWEZNQCLSA-N 0 0 378.885 3.581 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246394573 838465822 /nfs/dbraw/zinc/46/58/22/838465822.db2.gz JBLLLABWEGPENJ-RKVPGOIHSA-N 0 0 386.446 3.750 10 0 GHAERN C[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@@H](C)C1 ZINC000179094231 838523426 /nfs/dbraw/zinc/52/34/26/838523426.db2.gz MEPCRJOWUBGQMY-CABCVRRESA-N 0 0 397.496 3.572 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000408032817 838927687 /nfs/dbraw/zinc/92/76/87/838927687.db2.gz CKSYZZLKWGUFFU-IAGOWNOFSA-N 0 0 389.297 3.717 10 0 GHAERN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000303583142 839076955 /nfs/dbraw/zinc/07/69/55/839076955.db2.gz FJNJNLVAVQLWMD-XJKSGUPXSA-N 0 0 389.908 3.903 10 0 GHAERN Cc1ccc(CN2C[C@@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)cc1 ZINC000115365806 839124146 /nfs/dbraw/zinc/12/41/46/839124146.db2.gz GPDULQGZIRQGPU-ROUUACIJSA-N 0 0 383.517 3.554 10 0 GHAERN Cc1ccc(CN2C[C@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)cc1 ZINC000115365805 839124358 /nfs/dbraw/zinc/12/43/58/839124358.db2.gz GPDULQGZIRQGPU-MSOLQXFVSA-N 0 0 383.517 3.554 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)s1 ZINC000056781786 839624269 /nfs/dbraw/zinc/62/42/69/839624269.db2.gz YFVJRIFIXREYAG-SFHVURJKSA-N 0 0 383.517 3.602 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)C1 ZINC000246411817 839687949 /nfs/dbraw/zinc/68/79/49/839687949.db2.gz LWQZAKOHIDAUKP-MISYRCLQSA-N 0 0 397.519 3.681 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2cccnn2)CC1)c1ccc2c(c1)CCCC2 ZINC000153039589 840262715 /nfs/dbraw/zinc/26/27/15/840262715.db2.gz IICFAIMNOMFAFZ-INIZCTEOSA-N 0 0 379.508 3.703 10 0 GHAERN CC(=O)N1CCN(Cc2ccc(NC(=O)/C(C)=C\c3ccc(F)cc3)cc2)CC1 ZINC000588390552 840300798 /nfs/dbraw/zinc/30/07/98/840300798.db2.gz DOLXTORDCFPSRJ-ICFOKQHNSA-N 0 0 395.478 3.532 10 0 GHAERN Cn1cc([C@H]2CSCCN2C(=O)N[C@H]2c3ccccc3CCC2(C)C)cn1 ZINC000189659055 840313152 /nfs/dbraw/zinc/31/31/52/840313152.db2.gz RWIFMNUVIGRHTO-MOPGFXCFSA-N 0 0 384.549 3.933 10 0 GHAERN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000110421066 840593434 /nfs/dbraw/zinc/59/34/34/840593434.db2.gz YWOIXOSBKIFMSU-IEGUWTFLSA-N 0 0 392.499 3.800 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O)C12CC3CC(CC(C3)C1)C2 ZINC000332780566 844567668 /nfs/dbraw/zinc/56/76/68/844567668.db2.gz SYVPPQIADUEDAJ-SPNOMJNISA-N 0 0 390.568 3.553 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000106209756 840765861 /nfs/dbraw/zinc/76/58/61/840765861.db2.gz PIOXZRQZDOWNLD-AOMKIAJQSA-N 0 0 394.563 3.930 10 0 GHAERN Cc1cccc2c1N(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)CCC2 ZINC000198206526 840974866 /nfs/dbraw/zinc/97/48/66/840974866.db2.gz IYJSYIJCWDNBED-UHFFFAOYSA-N 0 0 380.463 3.966 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ccc4c(c2)NC(=O)C4)C3)cs1 ZINC000189102361 841137644 /nfs/dbraw/zinc/13/76/44/841137644.db2.gz TVTODYBTXJOTHS-UHFFFAOYSA-N 0 0 395.509 3.873 10 0 GHAERN O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408150019 841185285 /nfs/dbraw/zinc/18/52/85/841185285.db2.gz TXKYXPKOQYEQOL-GVDBMIGSSA-N 0 0 381.314 3.674 10 0 GHAERN Cn1ncc(N[C@H]2CC3(CCCC3)Oc3ccccc32)c(Br)c1=O ZINC000301714130 841233500 /nfs/dbraw/zinc/23/35/00/841233500.db2.gz LZVXCCWZOPGOJV-ZDUSSCGKSA-N 0 0 390.281 3.791 10 0 GHAERN O=c1c(Cl)c(N2CC[C@@]3(O)CCCC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000301723648 841236658 /nfs/dbraw/zinc/23/66/58/841236658.db2.gz SHLAPRXKIMTDHJ-DJJJIMSYSA-N 0 0 394.302 3.671 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000120582490 841397647 /nfs/dbraw/zinc/39/76/47/841397647.db2.gz YBTSOXRBEMOHRT-SGIREYDYSA-N 0 0 375.469 3.803 10 0 GHAERN CCOc1cc(/C=C\C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000588413255 841439557 /nfs/dbraw/zinc/43/95/57/841439557.db2.gz MQGQELRIHNCWSL-CTTRRDQISA-N 0 0 385.435 3.852 10 0 GHAERN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1 ZINC000330243222 841543670 /nfs/dbraw/zinc/54/36/70/841543670.db2.gz JPXXPTATEUYBMM-UTKZUKDTSA-N 0 0 398.528 3.916 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)o1 ZINC000246475078 841688659 /nfs/dbraw/zinc/68/86/59/841688659.db2.gz WLSUXBFDCALBOC-FTRWYGJKSA-N 0 0 379.522 3.840 10 0 GHAERN O=C(/C=C\c1ccc(O)cc1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000588418004 841801967 /nfs/dbraw/zinc/80/19/67/841801967.db2.gz OVEJCKDLMNYRAI-BAQGIRSFSA-N 0 0 391.393 3.604 10 0 GHAERN COC(=O)c1ccc(CNC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000104712559 842179461 /nfs/dbraw/zinc/17/94/61/842179461.db2.gz HIAWOBGLHGUZJS-UHFFFAOYSA-N 0 0 397.862 3.610 10 0 GHAERN CCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2OC)no1 ZINC000007215131 842288965 /nfs/dbraw/zinc/28/89/65/842288965.db2.gz UDXVTSREWJOTAZ-UHFFFAOYSA-N 0 0 394.456 3.767 10 0 GHAERN C[C@@H]1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H](c2ccco2)C1 ZINC000247458604 842327040 /nfs/dbraw/zinc/32/70/40/842327040.db2.gz QESMXSPWEXIVTF-OLPIVMHESA-N 0 0 379.522 3.778 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000588433998 842438956 /nfs/dbraw/zinc/43/89/56/842438956.db2.gz ORMYOVUPHKQWHF-PLNGDYQASA-N 0 0 376.350 3.655 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000153114345 842513062 /nfs/dbraw/zinc/51/30/62/842513062.db2.gz HEKUPTLVNOOEEJ-HNNXBMFYSA-N 0 0 383.471 3.856 10 0 GHAERN COc1ccccc1-c1cc(NC(=O)/C=C\c2ccncn2)n(-c2ccccc2)n1 ZINC000588436958 842597524 /nfs/dbraw/zinc/59/75/24/842597524.db2.gz DOPKNZNJFXJTNO-QXMHVHEDSA-N 0 0 397.438 3.990 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 ZINC000588440029 842748506 /nfs/dbraw/zinc/74/85/06/842748506.db2.gz UOYPMVNTLCVZGK-XQRVVYSFSA-N 0 0 398.875 3.773 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCCOc2ccccc2Cl)CC1 ZINC000162715365 842855032 /nfs/dbraw/zinc/85/50/32/842855032.db2.gz CUYGZNVHDKCIPZ-UHFFFAOYSA-N 0 0 375.900 3.714 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000408365964 842892195 /nfs/dbraw/zinc/89/21/95/842892195.db2.gz JIBZGHNHNUVRAQ-QZTJIDSGSA-N 0 0 398.956 3.585 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000408366951 842901844 /nfs/dbraw/zinc/90/18/44/842901844.db2.gz QGIZMFLOLFBSBI-IXDOHACOSA-N 0 0 384.929 3.542 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnn(C4CCOCC4)c3C)C2)cc1 ZINC000163242765 842973685 /nfs/dbraw/zinc/97/36/85/842973685.db2.gz VJEKSHFZTQNPAE-YJBOKZPZSA-N 0 0 383.492 3.570 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H]2CCOC3(CCCC3)C2)C[C@@H](C)O1 ZINC000247641395 843014172 /nfs/dbraw/zinc/01/41/72/843014172.db2.gz UXLHZWZXKPGGDT-KURKYZTESA-N 0 0 387.524 3.914 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546798 843272620 /nfs/dbraw/zinc/27/26/20/843272620.db2.gz VOPWAMSCIQKLMW-KUHUBIRLSA-N 0 0 377.448 3.510 10 0 GHAERN Cc1ccc(-c2nc(C)c(C(=O)N3CCC(Cc4nccn4C)CC3)s2)o1 ZINC000162592420 843281009 /nfs/dbraw/zinc/28/10/09/843281009.db2.gz ABVHZSRKOZUGIN-UHFFFAOYSA-N 0 0 384.505 3.848 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Oc1cc(C(=O)N2CCSCC2)ccc1C ZINC000588452538 843310466 /nfs/dbraw/zinc/31/04/66/843310466.db2.gz RKILMGQQCBVCTN-FPLPWBNLSA-N 0 0 382.485 3.506 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)/C=C\c2ncccc2C)cc1C ZINC000588452935 843319252 /nfs/dbraw/zinc/31/92/52/843319252.db2.gz RGEXGJHNPQJEME-OLHLWXQYSA-N 0 0 381.501 3.560 10 0 GHAERN Cc1ccc2ncnc(N3CC[C@H](Oc4cccnc4N4CCCC4)C3)c2c1 ZINC000329426230 861404339 /nfs/dbraw/zinc/40/43/39/861404339.db2.gz GCFMMOIDOFDGEO-KRWDZBQOSA-N 0 0 375.476 3.591 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](C)Oc1ccccc1Br ZINC000588454471 843344044 /nfs/dbraw/zinc/34/40/44/843344044.db2.gz QJOQKIGSGKOYKQ-CMUBDUJZSA-N 0 0 375.266 3.749 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000588455065 843351680 /nfs/dbraw/zinc/35/16/80/843351680.db2.gz QUOILORSIPYZNN-FPLPWBNLSA-N 0 0 387.443 3.759 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000112307625 843352221 /nfs/dbraw/zinc/35/22/21/843352221.db2.gz ZZHYQVKBNWPEGX-UHFFFAOYSA-N 0 0 379.485 3.527 10 0 GHAERN CCSCc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112307445 843352277 /nfs/dbraw/zinc/35/22/77/843352277.db2.gz QMWHFFCHBDKQOU-UHFFFAOYSA-N 0 0 388.558 3.990 10 0 GHAERN O=C(Nc1cc(F)ccc1Cl)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112424895 843355196 /nfs/dbraw/zinc/35/51/96/843355196.db2.gz FPWMWXOACABYAU-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000123446229 843404345 /nfs/dbraw/zinc/40/43/45/843404345.db2.gz YYJCDJMXOJMVEK-HXUWFJFHSA-N 0 0 383.536 3.744 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c12 ZINC000121588823 843464571 /nfs/dbraw/zinc/46/45/71/843464571.db2.gz WTSMFQWORRIXJU-GAJHUEQPSA-N 0 0 391.471 3.965 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cn2)o1 ZINC000408239483 843519815 /nfs/dbraw/zinc/51/98/15/843519815.db2.gz ZEOPOVOMZSTKQX-ZDUSSCGKSA-N 0 0 385.283 3.661 10 0 GHAERN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330303355 843613363 /nfs/dbraw/zinc/61/33/63/843613363.db2.gz JWWDGXKQMOYMST-RHSMWYFYSA-N 0 0 392.425 3.846 10 0 GHAERN CCN(CC)C(=O)N1CCC(c2nc(CO[C@@H]3CCCC[C@@H]3C)no2)CC1 ZINC000329451506 861456929 /nfs/dbraw/zinc/45/69/29/861456929.db2.gz CSYRVIYEKPXSAQ-DOTOQJQBSA-N 0 0 378.517 3.806 10 0 GHAERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@@H]1CCCC[C@H]1CO ZINC000332918425 844651504 /nfs/dbraw/zinc/65/15/04/844651504.db2.gz FYIBVLWLYMLBPD-FGTMMUONSA-N 0 0 399.560 3.766 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c(Br)s1 ZINC000408470430 844897548 /nfs/dbraw/zinc/89/75/48/844897548.db2.gz VUZJQGGFYMQRKG-OZVIIMIRSA-N 0 0 387.343 3.760 10 0 GHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(N2CCCCC2=O)CC1 ZINC000332966508 845069863 /nfs/dbraw/zinc/06/98/63/845069863.db2.gz LPEJZMBRVDKJRM-ZBFHGGJFSA-N 0 0 389.462 3.542 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CCOCC1 ZINC000151430332 845205387 /nfs/dbraw/zinc/20/53/87/845205387.db2.gz CCVNPEMDSSWUGK-QFBILLFUSA-N 0 0 382.508 3.781 10 0 GHAERN Cc1sc2ncnc(SCCC(=O)N3CCO[C@H]4CCCC[C@H]43)c2c1C ZINC000329015794 845288285 /nfs/dbraw/zinc/28/82/85/845288285.db2.gz QHPYKWUSIGYROM-CABCVRRESA-N 0 0 391.562 3.960 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000333457964 845365731 /nfs/dbraw/zinc/36/57/31/845365731.db2.gz OYARFVHUWLDTFW-IBGZPJMESA-N 0 0 380.492 3.632 10 0 GHAERN Cc1noc(C)c1-c1csc(=NCCc2ccccn2)n1[C@@H]1CCCOC1 ZINC000588496866 846148302 /nfs/dbraw/zinc/14/83/02/846148302.db2.gz QAQLALIDTFNUCQ-QGZVFWFLSA-N 0 0 384.505 3.711 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333531583 846229626 /nfs/dbraw/zinc/22/96/26/846229626.db2.gz YDPFFNYURAZUHW-MGPQQGTHSA-N 0 0 380.476 3.852 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329568719 861675074 /nfs/dbraw/zinc/67/50/74/861675074.db2.gz IDHHEWRRVSJDFP-HNNXBMFYSA-N 0 0 384.480 3.846 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)cnn1-c1ccc(Cl)cc1 ZINC000329570682 861688400 /nfs/dbraw/zinc/68/84/00/861688400.db2.gz QKBILZLQNKKEOS-COXVUDFISA-N 0 0 384.867 3.934 10 0 GHAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128268105 847003780 /nfs/dbraw/zinc/00/37/80/847003780.db2.gz OFKNTODOUPZXNY-BMIGLBTASA-N 0 0 398.739 3.963 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)C1(c2cccc(Cl)c2)CCCC1 ZINC000118670907 847033548 /nfs/dbraw/zinc/03/35/48/847033548.db2.gz FDBHHCGSURCYCM-SFHVURJKSA-N 0 0 384.911 3.727 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000588526411 847464665 /nfs/dbraw/zinc/46/46/65/847464665.db2.gz KDCPHYWUGYECDL-WAYWQWQTSA-N 0 0 379.888 3.654 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625128 861813927 /nfs/dbraw/zinc/81/39/27/861813927.db2.gz OLPHAHLTOHIESH-RBUKOAKNSA-N 0 0 394.519 3.540 10 0 GHAERN COc1cnccc1[C@H](C)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588544711 848177605 /nfs/dbraw/zinc/17/76/05/848177605.db2.gz DJHXFVYEBITSJW-UPZNUWHASA-N 0 0 397.294 3.504 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CCO2)o1 ZINC000153559666 848656217 /nfs/dbraw/zinc/65/62/17/848656217.db2.gz DOONYBOKRSRQBU-FQEVSTJZSA-N 0 0 397.475 3.866 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000153601933 848727988 /nfs/dbraw/zinc/72/79/88/848727988.db2.gz TTYBXSMOAFLNGX-FHWLQOOXSA-N 0 0 397.523 3.534 10 0 GHAERN COC(=O)/C(=C/c1cc(C(F)(F)F)ccc1Cl)CN1CCC(=O)CC1 ZINC000588566169 848901911 /nfs/dbraw/zinc/90/19/11/848901911.db2.gz JVGOHESPNPDDOY-XYOKQWHBSA-N 0 0 375.774 3.580 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000153746972 848973325 /nfs/dbraw/zinc/97/33/25/848973325.db2.gz GHOCOTBGFVEHKZ-AWEZNQCLSA-N 0 0 398.532 3.662 10 0 GHAERN C[C@@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)c1cccc(N2CCCC2)c1 ZINC000153768705 848996954 /nfs/dbraw/zinc/99/69/54/848996954.db2.gz YIZLICUMAUPYLV-OXQOHEQNSA-N 0 0 392.503 3.773 10 0 GHAERN CC(C)[C@H](NC(=O)C=Cc1cccc2ccccc12)c1nc(-c2nc[nH]n2)no1 ZINC000154405839 849289455 /nfs/dbraw/zinc/28/94/55/849289455.db2.gz YNPRDXQNEYTGCC-ZGKFYVQTSA-N 0 0 388.431 3.535 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N(CCCO)[C@H]1CCc2ccccc21 ZINC000155427285 849526794 /nfs/dbraw/zinc/52/67/94/849526794.db2.gz CCDVANPBUUVVKF-FQEVSTJZSA-N 0 0 399.560 3.798 10 0 GHAERN COc1cccc(Cl)c1CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000156387049 849881125 /nfs/dbraw/zinc/88/11/25/849881125.db2.gz OPEUETULOSLJBX-UHFFFAOYSA-N 0 0 392.927 3.532 10 0 GHAERN Cc1cc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)c(C)s1 ZINC000101582123 851691910 /nfs/dbraw/zinc/69/19/10/851691910.db2.gz RBRBTOCNUHETIJ-UHFFFAOYSA-N 0 0 380.466 3.680 10 0 GHAERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC3CCCCC3)cn2)C[C@H](C)O1 ZINC000101607683 851726404 /nfs/dbraw/zinc/72/64/04/851726404.db2.gz NZFZKCNTTNNHAH-HDICACEKSA-N 0 0 388.556 3.807 10 0 GHAERN CCCOc1ccccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101739808 851859251 /nfs/dbraw/zinc/85/92/51/851859251.db2.gz AWXHRYDKLJVVJB-MRXNPFEDSA-N 0 0 375.513 3.880 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cc1C ZINC000101745943 851865803 /nfs/dbraw/zinc/86/58/03/851865803.db2.gz YBLXVMMNOKIXNX-UHFFFAOYSA-N 0 0 383.492 3.607 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000101765302 851875915 /nfs/dbraw/zinc/87/59/15/851875915.db2.gz IBTRQWHJBUCIQJ-KBPBESRZSA-N 0 0 381.467 3.608 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000101771480 851898608 /nfs/dbraw/zinc/89/86/08/851898608.db2.gz ZAIPKZCOHLMFHN-GJZGRUSLSA-N 0 0 379.932 3.983 10 0 GHAERN COCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 ZINC000101851184 851937220 /nfs/dbraw/zinc/93/72/20/851937220.db2.gz VVBGSQPECAKFCY-HJNYFJLDSA-N 0 0 394.515 3.766 10 0 GHAERN Cc1cccc(C(C)(C)CNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000102008989 852087624 /nfs/dbraw/zinc/08/76/24/852087624.db2.gz OEDZTSJQOGOZGG-GOSISDBHSA-N 0 0 387.568 3.855 10 0 GHAERN Cc1cccc(C)c1CCNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000164609040 853613444 /nfs/dbraw/zinc/61/34/44/853613444.db2.gz VYBIIEHKEHWLPR-UHFFFAOYSA-N 0 0 385.552 3.670 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N1CCSC[C@@H]1c1nccs1 ZINC000334063192 853845352 /nfs/dbraw/zinc/84/53/52/853845352.db2.gz BXYHEVVGLVSTGR-MGPQQGTHSA-N 0 0 395.575 3.924 10 0 GHAERN COC(=O)c1cc(NC(=O)c2ncsc2Br)ccc1Cl ZINC000588749058 854377457 /nfs/dbraw/zinc/37/74/57/854377457.db2.gz QXCBZWVFDGPENG-UHFFFAOYSA-N 0 0 375.631 3.598 10 0 GHAERN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cccn3)C2)cc1 ZINC000328676711 854505678 /nfs/dbraw/zinc/50/56/78/854505678.db2.gz AFPCFVWPQZVBTQ-FXAWDEMLSA-N 0 0 395.507 3.767 10 0 GHAERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000124599431 854631076 /nfs/dbraw/zinc/63/10/76/854631076.db2.gz IKHCZENTLYCBDW-WJPUGNRLSA-N 0 0 392.471 3.542 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccnc(N[C@@H]2CCCO[C@@H]2C(C)C)n1 ZINC000330126403 862596923 /nfs/dbraw/zinc/59/69/23/862596923.db2.gz IRVNQQQUESZVHC-LVCYWYKZSA-N 0 0 398.555 3.784 10 0 GHAERN CCn1cc(C2CCN(c3ccnc(N[C@@H]4CCCO[C@H]4C(C)C)n3)CC2)cn1 ZINC000330120225 862591363 /nfs/dbraw/zinc/59/13/63/862591363.db2.gz GFFGJXGIHOFYLA-CTNGQTDRSA-N 0 0 398.555 3.693 10 0 GHAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685500 855131715 /nfs/dbraw/zinc/13/17/15/855131715.db2.gz KYSWEIFSPCVWFS-WKMFHFMWSA-N 0 0 392.496 3.813 10 0 GHAERN C[C@@H](C(=O)N(C)C1CCCCC1)[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685496 855131786 /nfs/dbraw/zinc/13/17/86/855131786.db2.gz AZNJEEUTKYOWEY-PWFNWSNSSA-N 0 0 392.496 3.909 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000190141491 855419798 /nfs/dbraw/zinc/41/97/98/855419798.db2.gz MGBFGYUDJHMALM-CGTJXYLNSA-N 0 0 384.480 3.563 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)cc1Br ZINC000132992627 855481861 /nfs/dbraw/zinc/48/18/61/855481861.db2.gz VNBIMIRUFSPWFQ-UHFFFAOYSA-N 0 0 390.281 3.550 10 0 GHAERN O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc(-n2cnnn2)cc1Cl ZINC000104353524 856333315 /nfs/dbraw/zinc/33/33/15/856333315.db2.gz OAOLAJBGYKXHFQ-UHFFFAOYSA-N 0 0 391.822 3.707 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc([C@@H]4C[C@@H]4C)o3)CC2)no1 ZINC000042007768 856340664 /nfs/dbraw/zinc/34/06/64/856340664.db2.gz HPWKFNUETOTXNZ-HMBFSZGFSA-N 0 0 383.448 3.590 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)NC[C@@H](O)Cc3ccccc3)c2C(C)C)cc1 ZINC000104915059 856446942 /nfs/dbraw/zinc/44/69/42/856446942.db2.gz GUVNPUVJVSBZQF-FQEVSTJZSA-N 0 0 377.488 3.638 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000104914771 856447391 /nfs/dbraw/zinc/44/73/91/856447391.db2.gz KMCLBABGNQGSOA-KRWDZBQOSA-N 0 0 395.405 3.529 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000104989146 856455064 /nfs/dbraw/zinc/45/50/64/856455064.db2.gz HOSKWQQTDYWBSW-SFHVURJKSA-N 0 0 395.484 3.726 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c12 ZINC000046489581 856862760 /nfs/dbraw/zinc/86/27/60/856862760.db2.gz FTHRNHNTITZORH-RBUKOAKNSA-N 0 0 377.444 3.982 10 0 GHAERN O=C(Nc1cnc2ccccc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000046743773 856914195 /nfs/dbraw/zinc/91/41/95/856914195.db2.gz RRVXUHRMWRQDSO-UHFFFAOYSA-N 0 0 377.419 3.865 10 0 GHAERN C[C@H](C(=O)NC1CCC(C)CC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692174 856955212 /nfs/dbraw/zinc/95/52/12/856955212.db2.gz BOHOQIZBOUAEAL-QVDRINDDSA-N 0 0 392.384 3.843 10 0 GHAERN Cn1cncc1[C@H]1C[C@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189155 857200516 /nfs/dbraw/zinc/20/05/16/857200516.db2.gz RVUSQSPYUGSIIL-CZUORRHYSA-N 0 0 389.525 3.577 10 0 GHAERN CC(C)c1nc(C(=O)N2[C@@H](C)COC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000131221099 857698685 /nfs/dbraw/zinc/69/86/85/857698685.db2.gz OXOYWOBKQSSGGK-RYUDHWBXSA-N 0 0 397.306 3.947 10 0 GHAERN CC1CCN(c2ccc(NC(=O)N3CCC(NC(=O)C4CCC4)CC3)cc2)CC1 ZINC000066158542 857903283 /nfs/dbraw/zinc/90/32/83/857903283.db2.gz ZIRCBUSJYNFSII-UHFFFAOYSA-N 0 0 398.551 3.836 10 0 GHAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@@H]1c3ccccc3CCC1(C)C)CC2 ZINC000181673033 862966791 /nfs/dbraw/zinc/96/67/91/862966791.db2.gz VUTAQHWPNABPMK-QFBILLFUSA-N 0 0 381.524 3.729 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000172555948 858234288 /nfs/dbraw/zinc/23/42/88/858234288.db2.gz PTFSWPORRGAJAR-ICSRJNTNSA-N 0 0 381.524 3.947 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000129924266 858337599 /nfs/dbraw/zinc/33/75/99/858337599.db2.gz SMZWBBKWIPAZOH-KRWDZBQOSA-N 0 0 378.428 3.584 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H](c3ccccc3)CC1)CC2 ZINC000161512298 859668500 /nfs/dbraw/zinc/66/85/00/859668500.db2.gz WOTSFUFQEVIZSG-OALUTQOASA-N 0 0 381.524 3.696 10 0 GHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000011001765 860048795 /nfs/dbraw/zinc/04/87/95/860048795.db2.gz RGRKVIXINFNXNY-GFCCVEGCSA-N 0 0 378.259 3.879 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cc2c(s1)CCCCC2 ZINC000026153397 860419124 /nfs/dbraw/zinc/41/91/24/860419124.db2.gz PYCTXTVGKPXYNW-OAHLLOKOSA-N 0 0 375.515 3.666 10 0 GHAERN Cc1cccc(N2C[C@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)c1C ZINC000171654253 860428021 /nfs/dbraw/zinc/42/80/21/860428021.db2.gz YDAKOJNHAFBOOC-SJLPKXTDSA-N 0 0 383.517 3.867 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccc(Br)s3)C2)c1 ZINC000171901813 860430086 /nfs/dbraw/zinc/43/00/86/860430086.db2.gz MVOXWEAPNVVJEJ-LBPRGKRZSA-N 0 0 383.315 3.562 10 0 GHAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000173949851 860443934 /nfs/dbraw/zinc/44/39/34/860443934.db2.gz ULASUHQFSRGQQX-CVEARBPZSA-N 0 0 377.554 3.621 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)C2)n1 ZINC000173065936 860618120 /nfs/dbraw/zinc/61/81/20/860618120.db2.gz QOJGAMIAMSRDIA-JSGCOSHPSA-N 0 0 387.530 3.904 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C2)n1 ZINC000173069358 860647312 /nfs/dbraw/zinc/64/73/12/860647312.db2.gz XLYYKIZJPVVOBK-GJZGRUSLSA-N 0 0 389.546 3.524 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)CC[C@@H]3Cc4ccccc4NC3=O)C2)n1 ZINC000173070033 860649698 /nfs/dbraw/zinc/64/96/98/860649698.db2.gz GFBUFHXQGHCKQP-SJORKVTESA-N 0 0 383.517 3.749 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N(C)CCCOc3ccccc3)C2)c1 ZINC000102464232 860694350 /nfs/dbraw/zinc/69/43/50/860694350.db2.gz ORMMHCZZBBCXLQ-LJQANCHMSA-N 0 0 397.519 3.632 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N(C)CCOc3ccc(C)cc3)C2)c1 ZINC000102464208 860694503 /nfs/dbraw/zinc/69/45/03/860694503.db2.gz WUMYLYROXWKHLN-IBGZPJMESA-N 0 0 397.519 3.550 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)C2)n1 ZINC000173074096 860695790 /nfs/dbraw/zinc/69/57/90/860695790.db2.gz MZNVACGOVZHLHI-QWFCFKBJSA-N 0 0 397.544 3.767 10 0 GHAERN CCOc1ccc([C@H](NC(=O)[C@H]2CSCN2C(=O)CC)c2ccccc2)cc1 ZINC000102720591 860831571 /nfs/dbraw/zinc/83/15/71/860831571.db2.gz KYMNLWORFAKQJC-TZIWHRDSSA-N 0 0 398.528 3.602 10 0 GHAERN O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(F)cc1C(F)(F)F ZINC000102738836 860845045 /nfs/dbraw/zinc/84/50/45/860845045.db2.gz XOBDCCLCJPGBEG-UHFFFAOYSA-N 0 0 380.301 3.861 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)c1occc1CN1c2ccccc2C[C@@H]1C ZINC000102987593 860932566 /nfs/dbraw/zinc/93/25/66/860932566.db2.gz KWIFXNZJQIJIKN-HNNXBMFYSA-N 0 0 392.503 3.554 10 0 GHAERN O=C(Nc1ccnn1C[C@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000159336703 860961458 /nfs/dbraw/zinc/96/14/58/860961458.db2.gz BYDGAJKDVHRNGK-SJLPKXTDSA-N 0 0 396.491 3.878 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000329079214 861000056 /nfs/dbraw/zinc/00/00/56/861000056.db2.gz BXTVCOJVDZQBRS-VQIMIIECSA-N 0 0 390.405 3.927 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c2ccccc21 ZINC000329087398 861006441 /nfs/dbraw/zinc/00/64/41/861006441.db2.gz VDHPYPRBZUIMAX-WKKBNRPRSA-N 0 0 398.547 3.849 10 0 GHAERN CC(C)c1nnc2n1CCN(CC(=O)N(c1ccccc1)C1CCCCC1)C2 ZINC000329165935 861091694 /nfs/dbraw/zinc/09/16/94/861091694.db2.gz HSOSNVMPQWAJRK-UHFFFAOYSA-N 0 0 381.524 3.583 10 0 GHAERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000332978742 863355618 /nfs/dbraw/zinc/35/56/18/863355618.db2.gz SLQCOGBDCPBYKO-VJANTYMQSA-N 0 0 377.504 3.536 10 0 GHAERN Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)nnn1-c1ccccc1Cl ZINC000103358580 863970262 /nfs/dbraw/zinc/97/02/62/863970262.db2.gz CZBVIDBWFXHJMN-UHFFFAOYSA-N 0 0 396.863 4.000 10 0 GHAERN COc1ccccc1SC[C@H](C)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000103421662 863979079 /nfs/dbraw/zinc/97/90/79/863979079.db2.gz RPIRFLZUMUFHMH-CYBMUJFWSA-N 0 0 392.546 3.551 10 0 GHAERN Cc1cccc(-n2ccnc2S(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000103621015 864049724 /nfs/dbraw/zinc/04/97/24/864049724.db2.gz HOPOYKBEPGECLX-UHFFFAOYSA-N 0 0 397.431 3.949 10 0 GHAERN Cc1cccc(-c2noc(CS(=O)(=O)c3nccn3-c3ccccc3C)n2)c1 ZINC000103621729 864052923 /nfs/dbraw/zinc/05/29/23/864052923.db2.gz XWUZTQFKNKPKGY-UHFFFAOYSA-N 0 0 394.456 3.513 10 0 GHAERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103750033 864080899 /nfs/dbraw/zinc/08/08/99/864080899.db2.gz OZKCRJMKKCPVOX-NSHDSACASA-N 0 0 376.247 3.802 10 0 GHAERN CC[C@H]1CCc2nc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)sc2C1 ZINC000103764459 864086905 /nfs/dbraw/zinc/08/69/05/864086905.db2.gz WPNDIIYMQJDZTR-JTQLQIEISA-N 0 0 388.884 3.539 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000103771802 864089051 /nfs/dbraw/zinc/08/90/51/864089051.db2.gz GALIULCCKDHEJR-UHFFFAOYSA-N 0 0 388.336 3.815 10 0 GHAERN CN(CCc1cccc2ccccc21)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103784867 864092235 /nfs/dbraw/zinc/09/22/35/864092235.db2.gz CDEOVBFPTRBNGS-UHFFFAOYSA-N 0 0 391.862 3.784 10 0 GHAERN CCN(C)[C@@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052086 864167650 /nfs/dbraw/zinc/16/76/50/864167650.db2.gz CANNMHZUEQZQHY-LJQANCHMSA-N 0 0 375.476 3.981 10 0 GHAERN CC(C)c1noc([C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2C)C2CCOCC2)n1 ZINC000333006718 864187374 /nfs/dbraw/zinc/18/73/74/864187374.db2.gz NSGQVHRNGFCUMD-GDIGMMSISA-N 0 0 398.507 3.893 10 0 GHAERN Cc1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c(OCC(F)(F)F)c1 ZINC000105017589 864791125 /nfs/dbraw/zinc/79/11/25/864791125.db2.gz MQYRLPRGQIKWKG-HNNXBMFYSA-N 0 0 382.382 3.661 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccccc1CN(CC)C(C)=O ZINC000104998143 864794061 /nfs/dbraw/zinc/79/40/61/864794061.db2.gz BMBQVHVQUCKSPM-UHFFFAOYSA-N 0 0 382.508 3.937 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000301763850 865528004 /nfs/dbraw/zinc/52/80/04/865528004.db2.gz MYFCFEUFDNNHBJ-GHTZIAJQSA-N 0 0 399.498 3.980 10 0 GHAERN Fc1ccc(Cc2nnc(N3CCC(c4noc(C5CC5)n4)CC3)s2)cc1 ZINC000302156955 865738635 /nfs/dbraw/zinc/73/86/35/865738635.db2.gz FHEKEPZIXSEWQH-UHFFFAOYSA-N 0 0 385.468 3.912 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2ncnc3c2cnn3C(C)(C)C)c2ccc(F)cc2C1 ZINC000302207638 865766415 /nfs/dbraw/zinc/76/64/15/865766415.db2.gz XHJJWRGMFQFLCN-GOSISDBHSA-N 0 0 396.470 3.626 10 0 GHAERN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173493253 865922240 /nfs/dbraw/zinc/92/22/40/865922240.db2.gz VZIQNLMPJPAZBQ-CJNGLKHVSA-N 0 0 389.908 3.556 10 0 GHAERN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000173511918 865976165 /nfs/dbraw/zinc/97/61/65/865976165.db2.gz SOEQYMMVTXZWNC-HOTGVXAUSA-N 0 0 389.908 3.903 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000111832721 866707550 /nfs/dbraw/zinc/70/75/50/866707550.db2.gz MATKQGTWFDUFSZ-HOTGVXAUSA-N 0 0 399.539 3.825 10 0 GHAERN Cc1ccc2oc(N3CCN(C(=O)N[C@H](C)Cc4cccs4)CC3)nc2c1 ZINC000112388473 866729892 /nfs/dbraw/zinc/72/98/92/866729892.db2.gz XWNGUAUTLQREJC-OAHLLOKOSA-N 0 0 384.505 3.661 10 0 GHAERN O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000114741249 866769940 /nfs/dbraw/zinc/76/99/40/866769940.db2.gz FRBKMWWLKNNYEE-LBPRGKRZSA-N 0 0 390.452 3.871 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)[C@@H](c2ccco2)C1 ZINC000173595528 866857332 /nfs/dbraw/zinc/85/73/32/866857332.db2.gz MXKIWYLJPKTHNE-DJIMGWMZSA-N 0 0 388.489 3.681 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2CCC[C@H](c3nccs3)C2)c(C)n1 ZINC000170890444 882067292 /nfs/dbraw/zinc/06/72/92/882067292.db2.gz ZHIHIQDNASOYJS-AWEZNQCLSA-N 0 0 376.551 3.611 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000171311603 882098422 /nfs/dbraw/zinc/09/84/22/882098422.db2.gz QMWLTHLFNJPTNV-KRWDZBQOSA-N 0 0 396.447 3.512 10 0 GHAERN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCC(Cc2ccccn2)CC1 ZINC000171615299 882116885 /nfs/dbraw/zinc/11/68/85/882116885.db2.gz MIEJNSGAPJFPIS-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171641621 882119964 /nfs/dbraw/zinc/11/99/64/882119964.db2.gz VMAMAKHLWRLYKO-KGLIPLIRSA-N 0 0 390.530 3.817 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000171554406 882141438 /nfs/dbraw/zinc/14/14/38/882141438.db2.gz IDWCZNLLZNVXAI-HNNXBMFYSA-N 0 0 395.463 3.548 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(COc3ccccc3)no2)CC1 ZINC000171784500 882161533 /nfs/dbraw/zinc/16/15/33/882161533.db2.gz DTAHOPLMDJGQLO-UHFFFAOYSA-N 0 0 381.407 3.808 10 0 GHAERN Cc1c(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)oc2ccccc12 ZINC000172154660 882172808 /nfs/dbraw/zinc/17/28/08/882172808.db2.gz VFRKZEDJBXYONY-MRXNPFEDSA-N 0 0 389.459 3.873 10 0 GHAERN O=S(=O)(Cc1cccc2cccnc21)N1CC=C(c2ccc(O)cc2)CC1 ZINC000172197494 882177529 /nfs/dbraw/zinc/17/75/29/882177529.db2.gz OKPJTSRJYWHAJO-UHFFFAOYSA-N 0 0 380.469 3.560 10 0 GHAERN COc1c(C)ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1C ZINC000171913571 882178376 /nfs/dbraw/zinc/17/83/76/882178376.db2.gz AWIPPONJMVNLFC-UHFFFAOYSA-N 0 0 387.505 3.754 10 0 GHAERN O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000171948687 882179386 /nfs/dbraw/zinc/17/93/86/882179386.db2.gz CZKRCXVYMYUIKP-UHFFFAOYSA-N 0 0 379.504 3.937 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000172212924 882188627 /nfs/dbraw/zinc/18/86/27/882188627.db2.gz YXGBTLQBHWDWPB-OAHLLOKOSA-N 0 0 384.505 3.791 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NCC[C@H]3C(=O)Nc4ccccc43)C2)n1 ZINC000172239270 882190170 /nfs/dbraw/zinc/19/01/70/882190170.db2.gz AFWGTKSHUYISFH-WMLDXEAASA-N 0 0 398.532 3.721 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NC[C@H](CCO)c3ccccc3)C2)n1 ZINC000172639715 882282566 /nfs/dbraw/zinc/28/25/66/882282566.db2.gz FMGJKDGSLXLIIL-ROUUACIJSA-N 0 0 387.549 3.761 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172550450 882294029 /nfs/dbraw/zinc/29/40/29/882294029.db2.gz YIKIWVQHEOJUKJ-JOCHJYFZSA-N 0 0 394.490 3.815 10 0 GHAERN CC[C@H](c1ccncc1)N(CC)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172482290 882287594 /nfs/dbraw/zinc/28/75/94/882287594.db2.gz YXQKRSIDGCKTQX-GOSISDBHSA-N 0 0 385.533 3.995 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172482488 882287726 /nfs/dbraw/zinc/28/77/26/882287726.db2.gz AAVYZKTVLRYHPH-RBUKOAKNSA-N 0 0 392.484 3.716 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCC(c2ccnn2CCO)CC1 ZINC000172555937 882295236 /nfs/dbraw/zinc/29/52/36/882295236.db2.gz IYKLDBGOOSWQLE-QFIPXVFZSA-N 0 0 396.535 3.696 10 0 GHAERN O=C(NCCc1cc2ccccc2o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172556653 882295848 /nfs/dbraw/zinc/29/58/48/882295848.db2.gz LIMHEUTXUJGHGH-UHFFFAOYSA-N 0 0 394.446 3.783 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172597133 882296842 /nfs/dbraw/zinc/29/68/42/882296842.db2.gz DSPWQAXJTJZYHL-SFTDATJTSA-N 0 0 380.463 3.612 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000172856463 882313777 /nfs/dbraw/zinc/31/37/77/882313777.db2.gz MCYMFKMEKQHNJP-NRFANRHFSA-N 0 0 391.515 3.516 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2cccc(NC(C)=O)c2C)cc1 ZINC000172867097 882315294 /nfs/dbraw/zinc/31/52/94/882315294.db2.gz STLQIOAWEUHYCF-NRFANRHFSA-N 0 0 381.476 3.738 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000172859711 882315637 /nfs/dbraw/zinc/31/56/37/882315637.db2.gz CFQURMVDIRLIII-OAQYLSRUSA-N 0 0 393.487 3.819 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172893801 882322016 /nfs/dbraw/zinc/32/20/16/882322016.db2.gz KAZSXZVAIZDDBO-GOSISDBHSA-N 0 0 393.531 3.806 10 0 GHAERN Cc1nc([C@H](NC(=O)/C=C/c2cccc3cccnc23)c2ccccc2F)no1 ZINC000114649398 869701550 /nfs/dbraw/zinc/70/15/50/869701550.db2.gz TZHAPMCDECLXLC-RJRNSMGGSA-N 0 0 388.402 3.984 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172992217 882331059 /nfs/dbraw/zinc/33/10/59/882331059.db2.gz IXTGVASNUBYIAY-UHFFFAOYSA-N 0 0 394.519 3.809 10 0 GHAERN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C(C)(C)c1ccccc1 ZINC000173212651 882341292 /nfs/dbraw/zinc/34/12/92/882341292.db2.gz HOHJEGAYLYCZIV-OAQYLSRUSA-N 0 0 393.531 3.806 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2cccnc2c1C ZINC000173116980 882350474 /nfs/dbraw/zinc/35/04/74/882350474.db2.gz ALICARBUCMCWCW-UHFFFAOYSA-N 0 0 388.471 3.738 10 0 GHAERN CCC[C@@H](C)c1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)n[nH]1 ZINC000173336905 882354638 /nfs/dbraw/zinc/35/46/38/882354638.db2.gz NKENVSHTFZEFSE-CQSZACIVSA-N 0 0 386.471 3.943 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)n1 ZINC000173954492 869909934 /nfs/dbraw/zinc/90/99/34/869909934.db2.gz CYDZQMPYIBRXKH-JKSUJKDBSA-N 0 0 389.565 3.764 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173403495 882359498 /nfs/dbraw/zinc/35/94/98/882359498.db2.gz AXAJKLKXHXVDGR-GJZGRUSLSA-N 0 0 379.526 3.639 10 0 GHAERN CCc1c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000186157306 870226215 /nfs/dbraw/zinc/22/62/15/870226215.db2.gz BWTTXFHROWIMGR-YCRPNKLZSA-N 0 0 387.911 3.855 10 0 GHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173617881 882386700 /nfs/dbraw/zinc/38/67/00/882386700.db2.gz PSRYGQGISCJKSC-UHFFFAOYSA-N 0 0 391.393 3.900 10 0 GHAERN O=C(Nc1ccnc(Oc2ccccc2Cl)c1)N1CCC(n2cncn2)CC1 ZINC000173669587 882390853 /nfs/dbraw/zinc/39/08/53/882390853.db2.gz HPKCZMDQJARCMB-UHFFFAOYSA-N 0 0 398.854 3.988 10 0 GHAERN Cc1noc([C@H](C)N2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)n1 ZINC000173683706 882391664 /nfs/dbraw/zinc/39/16/64/882391664.db2.gz RXIVRAROBMCOCT-ZDUSSCGKSA-N 0 0 387.871 3.565 10 0 GHAERN CCCc1nc(CSCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)no1 ZINC000173799225 882405022 /nfs/dbraw/zinc/40/50/22/882405022.db2.gz PCCRSWPPGWEJEG-MRXNPFEDSA-N 0 0 375.494 3.628 10 0 GHAERN Cc1cccc([C@@H]2CCCCN2C(=O)NCc2cccnc2-n2cncn2)c1C ZINC000173804065 882406126 /nfs/dbraw/zinc/40/61/26/882406126.db2.gz BRXVDASYTZDTHT-FQEVSTJZSA-N 0 0 390.491 3.716 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053961706 870572662 /nfs/dbraw/zinc/57/26/62/870572662.db2.gz LZMHGOVYIHPOLA-MSOLQXFVSA-N 0 0 380.444 3.828 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000174068358 882421180 /nfs/dbraw/zinc/42/11/80/882421180.db2.gz RNJGODBGDCFWTR-MSOLQXFVSA-N 0 0 396.462 3.804 10 0 GHAERN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)N1CCC2(C1)OCCO2 ZINC000174093582 882425351 /nfs/dbraw/zinc/42/53/51/882425351.db2.gz SPLAMSBTPPNKLO-INIZCTEOSA-N 0 0 378.881 3.649 10 0 GHAERN Cc1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1Cl ZINC000174226203 882437272 /nfs/dbraw/zinc/43/72/72/882437272.db2.gz OHXORJHRQXGFOH-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN CSCc1cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)ccc1F ZINC000174224628 882437422 /nfs/dbraw/zinc/43/74/22/882437422.db2.gz SVCIVSRQAFLRRK-UHFFFAOYSA-N 0 0 392.521 3.739 10 0 GHAERN Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000174527918 882479351 /nfs/dbraw/zinc/47/93/51/882479351.db2.gz QBNWJTJAMFERNS-CQSZACIVSA-N 0 0 386.477 3.820 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(CN4CCOC4=O)cc3)c21 ZINC000103236229 871508462 /nfs/dbraw/zinc/50/84/62/871508462.db2.gz LMWQHWOXDMKFJA-UHFFFAOYSA-N 0 0 392.459 3.793 10 0 GHAERN Cc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c2cnn(C)c2n1 ZINC000175330902 882543381 /nfs/dbraw/zinc/54/33/81/882543381.db2.gz CMYGWCSXGQNJJB-UHFFFAOYSA-N 0 0 389.434 3.827 10 0 GHAERN COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175300296 882565821 /nfs/dbraw/zinc/56/58/21/882565821.db2.gz IILLBPLMBMHYMT-UHFFFAOYSA-N 0 0 398.507 3.514 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)c1ccco1 ZINC000175707443 882576579 /nfs/dbraw/zinc/57/65/79/882576579.db2.gz TWIHWTDZRCYHPI-HKUYNNGSSA-N 0 0 394.475 3.946 10 0 GHAERN Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(F)c3F)c(Cl)cc12 ZINC000101568896 872109887 /nfs/dbraw/zinc/10/98/87/872109887.db2.gz ABNVHFWPNDQIRG-UHFFFAOYSA-N 0 0 386.759 3.801 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)N[C@@H](C)c3ncc(C)s3)C2)c1 ZINC000175464079 882582862 /nfs/dbraw/zinc/58/28/62/882582862.db2.gz DBJYMKUERSUXDD-KBPBESRZSA-N 0 0 375.494 3.729 10 0 GHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1c(Cl)nc2ccccn21 ZINC000101880145 872350800 /nfs/dbraw/zinc/35/08/00/872350800.db2.gz ZYUNNHMPEXVTDM-UHFFFAOYSA-N 0 0 378.823 3.903 10 0 GHAERN CCS[C@H]1CCC[C@H](NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000175881325 882610126 /nfs/dbraw/zinc/61/01/26/882610126.db2.gz BLRMCIGUKIVPIH-OALUTQOASA-N 0 0 395.613 3.875 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)Cc1cccs1 ZINC000175756008 882622763 /nfs/dbraw/zinc/62/27/63/882622763.db2.gz JWGWQYWWWWMQGJ-HZPDHXFCSA-N 0 0 383.521 3.559 10 0 GHAERN O=S(=O)(N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)N1CCCCC1 ZINC000150875071 872683686 /nfs/dbraw/zinc/68/36/86/872683686.db2.gz GKXLGMHZZPQTKM-QGZVFWFLSA-N 0 0 394.928 3.598 10 0 GHAERN CCS[C@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176748177 882709649 /nfs/dbraw/zinc/70/96/49/882709649.db2.gz QWRCEJFVIACGBJ-CVEARBPZSA-N 0 0 380.579 3.781 10 0 GHAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CCC(OCC2CCCC2)CC1 ZINC000177034683 882728389 /nfs/dbraw/zinc/72/83/89/882728389.db2.gz YSIOZJPYZGEJOC-UHFFFAOYSA-N 0 0 393.336 3.748 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCCOC3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102744222 873525168 /nfs/dbraw/zinc/52/51/68/873525168.db2.gz DQQCJDNZMXXNTF-MGPQQGTHSA-N 0 0 386.414 3.684 10 0 GHAERN Cc1cnc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cn1 ZINC000102744468 873526194 /nfs/dbraw/zinc/52/61/94/873526194.db2.gz WNJGJFHOCQRXFY-BETUJISGSA-N 0 0 394.397 3.670 10 0 GHAERN COc1ccccc1C[C@H](C)CC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670396 873614691 /nfs/dbraw/zinc/61/46/91/873614691.db2.gz KMGMQZGYTPHFNC-KRWDZBQOSA-N 0 0 381.520 3.753 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)Nc3cnn(C)c3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102802435 873649055 /nfs/dbraw/zinc/64/90/55/873649055.db2.gz BJHPPLWSMVBZRI-TXEJJXNPSA-N 0 0 397.401 3.697 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000004306184 874215606 /nfs/dbraw/zinc/21/56/06/874215606.db2.gz SXUJUOKZHCPSQH-QHCPKHFHSA-N 0 0 387.439 3.636 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000104421306 874380967 /nfs/dbraw/zinc/38/09/67/874380967.db2.gz RYSYCXVNWSESJQ-FFXXTYGZSA-N 0 0 384.501 3.729 10 0 GHAERN COc1ccccc1CCN(C)Cn1nc(C)n(Cc2ccccc2)c1=S ZINC000104653869 874611299 /nfs/dbraw/zinc/61/12/99/874611299.db2.gz JFZYMHFLRTYSLD-UHFFFAOYSA-N 0 0 382.533 3.911 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)Nc1cc(F)c(F)cc1F ZINC000105048178 875020044 /nfs/dbraw/zinc/02/00/44/875020044.db2.gz KMCQLTVVKNSCJK-UHFFFAOYSA-N 0 0 377.366 3.943 10 0 GHAERN COc1cc(OC)c(CNC(=O)N(Cc2ccco2)C2CCCC2)c(OC)c1 ZINC000105162979 875104671 /nfs/dbraw/zinc/10/46/71/875104671.db2.gz TVLFQEGLYOKPRK-UHFFFAOYSA-N 0 0 388.464 3.960 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000105598721 875342020 /nfs/dbraw/zinc/34/20/20/875342020.db2.gz VSQGEZIRJUSOCD-OAHLLOKOSA-N 0 0 399.516 3.525 10 0 GHAERN O=C(CCn1cnc2ccccc2c1=O)OCCc1ccccc1C(F)(F)F ZINC000105776563 875457787 /nfs/dbraw/zinc/45/77/87/875457787.db2.gz DCIKYRFZJMJEJV-UHFFFAOYSA-N 0 0 390.361 3.591 10 0 GHAERN O=C(c1ccc(Cl)nc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021532846 875863418 /nfs/dbraw/zinc/86/34/18/875863418.db2.gz RWMYVGVMHQRNEE-UHFFFAOYSA-N 0 0 384.789 3.501 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NCCCCOCCc3ccccc3)CCO2)o1 ZINC000179120428 882972067 /nfs/dbraw/zinc/97/20/67/882972067.db2.gz GAMXOKLNZSSZPU-NRFANRHFSA-N 0 0 386.492 3.710 10 0 GHAERN O=C([C@@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000120360498 875952286 /nfs/dbraw/zinc/95/22/86/875952286.db2.gz MCLOQCIQJNBORX-FQEVSTJZSA-N 0 0 396.878 3.915 10 0 GHAERN CC(C)CSCCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179303560 882988908 /nfs/dbraw/zinc/98/89/08/882988908.db2.gz MKZBASOJHGOGCQ-UHFFFAOYSA-N 0 0 380.529 3.573 10 0 GHAERN CN(c1ccccc1NC(=O)NC1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000120919131 876372119 /nfs/dbraw/zinc/37/21/19/876372119.db2.gz NLVVYEHJQUBVJT-UHFFFAOYSA-N 0 0 394.523 3.646 10 0 GHAERN O=[S@@](Cc1noc(-c2ccsc2)n1)Cc1nnc(-c2ccccc2)s1 ZINC000121106574 876549987 /nfs/dbraw/zinc/54/99/87/876549987.db2.gz UBIGYEQMUJCAPT-RUZDIDTESA-N 0 0 388.499 3.766 10 0 GHAERN Cn1ccnc1CC1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000121254642 876690742 /nfs/dbraw/zinc/69/07/42/876690742.db2.gz DOZVVZNQGGYSRN-UHFFFAOYSA-N 0 0 397.548 3.865 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(-c4ncn(C)n4)cc3)C2)cc1 ZINC000180225658 883068707 /nfs/dbraw/zinc/06/87/07/883068707.db2.gz JUVABTGQHPDKKT-KXBFYZLASA-N 0 0 376.460 3.509 10 0 GHAERN CC(C)Oc1cccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(=S)n3C)C2)c1 ZINC000097569909 883093735 /nfs/dbraw/zinc/09/37/35/883093735.db2.gz VQIBIQWEQSPUIA-ZNFPLGDCSA-N 0 0 386.521 3.684 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000121830417 877891229 /nfs/dbraw/zinc/89/12/29/877891229.db2.gz GAAYBUGVNPDNRV-BQFCYCMXSA-N 0 0 399.516 3.992 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000121950987 878065157 /nfs/dbraw/zinc/06/51/57/878065157.db2.gz KEPUDQRVRAMGRF-UHFFFAOYSA-N 0 0 376.460 3.702 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000122027055 878230789 /nfs/dbraw/zinc/23/07/89/878230789.db2.gz DNSYADVPMPWCAQ-UHFFFAOYSA-N 0 0 390.896 3.885 10 0 GHAERN C=C1c2ccccc2C(=O)N1CC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122150763 878407404 /nfs/dbraw/zinc/40/74/04/878407404.db2.gz LGHCEGHESXBMHD-CRAIPNDOSA-N 0 0 376.456 3.526 10 0 GHAERN COc1ccc(C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1-c1ccccn1 ZINC000122202606 878553764 /nfs/dbraw/zinc/55/37/64/878553764.db2.gz DWEXTSMVODZNJH-NRFANRHFSA-N 0 0 399.454 3.703 10 0 GHAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1)C(=O)C2 ZINC000249393180 878654802 /nfs/dbraw/zinc/65/48/02/878654802.db2.gz GJDJYXOLERKAQU-AHIWAGSCSA-N 0 0 395.487 3.622 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000132626369 878786536 /nfs/dbraw/zinc/78/65/36/878786536.db2.gz SAWKSMLHUNRQFM-ZDUSSCGKSA-N 0 0 385.493 3.933 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000133299417 878908366 /nfs/dbraw/zinc/90/83/66/878908366.db2.gz HQQJJVHEQUNUOR-IBGZPJMESA-N 0 0 395.507 3.551 10 0 GHAERN COc1cc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000122538415 879059982 /nfs/dbraw/zinc/05/99/82/879059982.db2.gz QEHYWEVUGCONKA-QGZVFWFLSA-N 0 0 389.839 3.628 10 0 GHAERN C[C@H]1C[C@@H](CC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC(C)(C)C1 ZINC000135506082 879293332 /nfs/dbraw/zinc/29/33/32/879293332.db2.gz YWSCXVUQHRWPTN-IRXDYDNUSA-N 0 0 388.556 3.834 10 0 GHAERN O=C(NCc1cc(F)cc2c1OCOC2)N1CCSC2(CCCCC2)C1 ZINC000175487367 879340079 /nfs/dbraw/zinc/34/00/79/879340079.db2.gz OLBYEZWCHBDRQR-UHFFFAOYSA-N 0 0 380.485 3.654 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccccc2OC(F)(F)F)CC1 ZINC000181334148 883139693 /nfs/dbraw/zinc/13/96/93/883139693.db2.gz YIJFLTDENKJEIR-UHFFFAOYSA-N 0 0 398.406 3.635 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(C(=O)c4cc[nH]c4)cc3)CC2)nc1 ZINC000181570367 883164188 /nfs/dbraw/zinc/16/41/88/883164188.db2.gz KSZFOANQLCWZNB-UHFFFAOYSA-N 0 0 389.455 3.633 10 0 GHAERN COc1ccccc1[C@H](N[C@H](C)c1ccc2c(c1)OCCCO2)c1noc(C)n1 ZINC000182041856 883200830 /nfs/dbraw/zinc/20/08/30/883200830.db2.gz WVDVNGMGFXJYNG-SZNDQCEHSA-N 0 0 395.459 3.988 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182212981 883211625 /nfs/dbraw/zinc/21/16/25/883211625.db2.gz GQUGDYVEWKFUAO-WNSKOXEYSA-N 0 0 393.487 3.903 10 0 GHAERN CSCCCCCCNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000182195448 883212109 /nfs/dbraw/zinc/21/21/09/883212109.db2.gz MBRDLIMLVDJDTL-INIZCTEOSA-N 0 0 375.542 3.542 10 0 GHAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000182857532 883244644 /nfs/dbraw/zinc/24/46/44/883244644.db2.gz HOXMGPGMMJPHPA-FZZULVBXSA-N 0 0 375.472 3.597 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)C[C@@H]3c3cccnc3)CC2)nc1 ZINC000183587927 883290551 /nfs/dbraw/zinc/29/05/51/883290551.db2.gz FPZUQYWOLGQTRV-YLJYHZDGSA-N 0 0 379.508 3.547 10 0 GHAERN Brc1cnc(CN[C@@H]2COc3ccccc32)c(Br)c1 ZINC000135302752 883292716 /nfs/dbraw/zinc/29/27/16/883292716.db2.gz AOVOCHQDNOOTQW-CYBMUJFWSA-N 0 0 384.071 3.830 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)CCCc2ccccc2)c2ccc(F)cc2C1 ZINC000184018528 883299439 /nfs/dbraw/zinc/29/94/39/883299439.db2.gz DNCWYXCIHWDOKW-QFIPXVFZSA-N 0 0 397.494 3.893 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H](c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184025205 883300694 /nfs/dbraw/zinc/30/06/94/883300694.db2.gz AOQGOGQFCDCRSY-XMSQKQJNSA-N 0 0 395.478 3.818 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000184060427 883331926 /nfs/dbraw/zinc/33/19/26/883331926.db2.gz UGRWRJVNMLRQCS-WBMJQRKESA-N 0 0 390.871 3.747 10 0 GHAERN CC(=O)N1CC[C@@H](N[C@@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513630 883349761 /nfs/dbraw/zinc/34/97/61/883349761.db2.gz LBPANQWHYVOCHD-IFXJQAMLSA-N 0 0 380.467 3.857 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185500184 883462938 /nfs/dbraw/zinc/46/29/38/883462938.db2.gz XVMCDAPWSYRRSI-NRFANRHFSA-N 0 0 384.451 3.594 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cc(Br)cn2C)CC1 ZINC000102496969 883506642 /nfs/dbraw/zinc/50/66/42/883506642.db2.gz MTKNPTBETGOAMS-UHFFFAOYSA-N 0 0 391.309 3.891 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000185512312 883547422 /nfs/dbraw/zinc/54/74/22/883547422.db2.gz JAYRYTUGICTOOE-IBGZPJMESA-N 0 0 390.405 3.646 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(C)nc3ccccc32)c2ccc(F)cc2C1 ZINC000185512376 883548811 /nfs/dbraw/zinc/54/88/11/883548811.db2.gz DCUCAKAZNKUGMH-QFIPXVFZSA-N 0 0 391.446 3.906 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CSc2ccccc2C)c2ccc(F)cc2C1 ZINC000185516539 883548966 /nfs/dbraw/zinc/54/89/66/883548966.db2.gz SKFPPZRZYRNXES-LJQANCHMSA-N 0 0 386.492 3.836 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)c2ccc(F)cc2C1 ZINC000185519362 883550234 /nfs/dbraw/zinc/55/02/34/883550234.db2.gz JQNMBJMMOVYNRC-LJQANCHMSA-N 0 0 392.833 3.770 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2coc(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185521903 883550395 /nfs/dbraw/zinc/55/03/95/883550395.db2.gz ZDQLRAGOHKDEKA-IBGZPJMESA-N 0 0 393.418 3.704 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)c2ccc(F)cc2C1 ZINC000185541436 883554064 /nfs/dbraw/zinc/55/40/64/883554064.db2.gz NEIKOBAYHKRMHK-HXUWFJFHSA-N 0 0 379.435 3.541 10 0 GHAERN c1ccc(-c2cnc(CNCc3ccc(OC[C@H]4CCCO4)cc3)nc2)cc1 ZINC000185867184 883596101 /nfs/dbraw/zinc/59/61/01/883596101.db2.gz PYQUJAKPMNISHX-JOCHJYFZSA-N 0 0 375.472 3.991 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186190609 883618817 /nfs/dbraw/zinc/61/88/17/883618817.db2.gz IAQCJOSDWYTDBE-FXAWDEMLSA-N 0 0 399.560 3.655 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000186250781 883624511 /nfs/dbraw/zinc/62/45/11/883624511.db2.gz SIBANFMMDWSBIG-QGZVFWFLSA-N 0 0 378.476 3.817 10 0 GHAERN CC(C)c1nn(C)c2sc(C(=O)N3CCCN(c4ccccn4)CC3)cc12 ZINC000186419469 883642526 /nfs/dbraw/zinc/64/25/26/883642526.db2.gz RRYSNZAEOCSHKF-UHFFFAOYSA-N 0 0 383.521 3.506 10 0 GHAERN COc1ccc([C@@H](NCc2ccc3c(c2)COC(C)(C)O3)c2nccn2C)cc1 ZINC000186406216 883642966 /nfs/dbraw/zinc/64/29/66/883642966.db2.gz QFEZWEHLFSKJTH-OAQYLSRUSA-N 0 0 393.487 3.953 10 0 GHAERN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000186407697 883643116 /nfs/dbraw/zinc/64/31/16/883643116.db2.gz LOVVPDFGDZVESP-QGZVFWFLSA-N 0 0 377.410 3.857 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186653176 883683096 /nfs/dbraw/zinc/68/30/96/883683096.db2.gz LDWQVHGUOSMITO-UHFFFAOYSA-N 0 0 381.461 3.938 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)ccc2NC1=O ZINC000186662468 883684146 /nfs/dbraw/zinc/68/41/46/883684146.db2.gz KYAVBOVUXWPARP-INIZCTEOSA-N 0 0 399.882 3.718 10 0 GHAERN COc1ccc([C@@H](C)CCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186673248 883684593 /nfs/dbraw/zinc/68/45/93/883684593.db2.gz YWSXVYBLHAAWHY-AWEZNQCLSA-N 0 0 382.464 3.988 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@@H](O)c3ccc(C(C)(C)C)cc3)ccc2NC1=O ZINC000186695500 883687651 /nfs/dbraw/zinc/68/76/51/883687651.db2.gz UCPFPYWLXSBVRO-LJQANCHMSA-N 0 0 396.491 3.817 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3cccc(OC(F)F)c3)ccc2NC1=O ZINC000186690140 883687735 /nfs/dbraw/zinc/68/77/35/883687735.db2.gz ROAWHAIGHQSNBU-UHFFFAOYSA-N 0 0 376.363 3.587 10 0 GHAERN CC(C)COC[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccco1 ZINC000186741319 883699004 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COc1cccc(C(C)(C)CNC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000187672657 883813593 /nfs/dbraw/zinc/81/35/93/883813593.db2.gz GXLXDWAEBOLQHP-UHFFFAOYSA-N 0 0 388.537 3.715 10 0 GHAERN CC(C)Oc1ccc(CC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000188185229 883828728 /nfs/dbraw/zinc/82/87/28/883828728.db2.gz JVKXFDMQKPOVAG-UHFFFAOYSA-N 0 0 394.515 3.685 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000188572233 883858332 /nfs/dbraw/zinc/85/83/32/883858332.db2.gz QCIJQVJICARKDU-JTQLQIEISA-N 0 0 376.240 3.506 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1csc(Br)c1)[C@@H]2C ZINC000188742391 883865694 /nfs/dbraw/zinc/86/56/94/883865694.db2.gz GRZIMAKCBXFIRT-SGUJLRQBSA-N 0 0 395.326 3.842 10 0 GHAERN C[C@@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[C@@H]1COc2ccccc21 ZINC000188906746 883883728 /nfs/dbraw/zinc/88/37/28/883883728.db2.gz BXECOQSDYNTLJQ-DYVFJYSZSA-N 0 0 386.448 3.599 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@]23CCOC3=O)n(-c2ccccc2)nc1C(C)(C)C ZINC000188957661 883906253 /nfs/dbraw/zinc/90/62/53/883906253.db2.gz DENOXVXJQAPVND-JOCHJYFZSA-N 0 0 396.491 3.792 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000189140832 883907431 /nfs/dbraw/zinc/90/74/31/883907431.db2.gz NVQUGQWCEVMWDO-QFBILLFUSA-N 0 0 387.443 3.955 10 0 GHAERN Cc1ccn(-c2ccccc2NC(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000189133047 883907686 /nfs/dbraw/zinc/90/76/86/883907686.db2.gz JVZBEFVDUVWXFF-UHFFFAOYSA-N 0 0 382.493 3.746 10 0 GHAERN Cc1csc([C@H]2COCCN2CC(=O)Nc2ccccc2SC(F)F)n1 ZINC000189258636 883926846 /nfs/dbraw/zinc/92/68/46/883926846.db2.gz OEHSNRYTJJYIJH-CYBMUJFWSA-N 0 0 399.488 3.778 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@H]1C ZINC000189500562 883948413 /nfs/dbraw/zinc/94/84/13/883948413.db2.gz FVLVXHYYWKPSKK-GDBMZVCRSA-N 0 0 393.915 3.993 10 0 GHAERN O=C(c1ccc(CN2CCCC2=O)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189782405 883995123 /nfs/dbraw/zinc/99/51/23/883995123.db2.gz YQSPTZYSZSRZBB-UHFFFAOYSA-N 0 0 390.483 3.518 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189826183 884014651 /nfs/dbraw/zinc/01/46/51/884014651.db2.gz MYOKAFYYDIMCTK-UHFFFAOYSA-N 0 0 379.456 3.753 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1F)N1CC2(CCOCC2)c2ccccc21 ZINC000189849411 884016414 /nfs/dbraw/zinc/01/64/14/884016414.db2.gz JHFSDCLARZAPHV-UHFFFAOYSA-N 0 0 394.446 3.661 10 0 GHAERN O=C(c1ncccc1OCC(F)(F)F)N1CC2(CCOCC2)c2ccccc21 ZINC000189850175 884017676 /nfs/dbraw/zinc/01/76/76/884017676.db2.gz FSZMGUKNDABLBE-UHFFFAOYSA-N 0 0 392.377 3.731 10 0 GHAERN Cc1ccc([C@](O)(CC(=O)N2CCC[C@H]2c2csc(C)n2)C(F)(F)F)o1 ZINC000190003012 884042102 /nfs/dbraw/zinc/04/21/02/884042102.db2.gz ZYGYIJLAHIJSIP-XJKSGUPXSA-N 0 0 388.411 3.857 10 0 GHAERN CC(C)C(=O)N1CCC(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)CC1 ZINC000190275099 884062849 /nfs/dbraw/zinc/06/28/49/884062849.db2.gz PQYOPDORKCPCHK-INIZCTEOSA-N 0 0 378.463 3.565 10 0 GHAERN O=C(c1ccc(N2CCOC2=O)cc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190282295 884064406 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COCCOc1cc(OC)ccc1C(=O)N1CCC(c2nc(C)cs2)CC1 ZINC000191813396 884213035 /nfs/dbraw/zinc/21/30/35/884213035.db2.gz WHKJUAYODYQCMQ-UHFFFAOYSA-N 0 0 390.505 3.505 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccc1F)N1CCC(c2ccncc2)CC1 ZINC000191939572 884221489 /nfs/dbraw/zinc/22/14/89/884221489.db2.gz GYRWXJCVNMGZIS-UHFFFAOYSA-N 0 0 379.439 3.877 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N(c2ccccc2)[C@H]2CCOC2)CC1 ZINC000192059413 884231835 /nfs/dbraw/zinc/23/18/35/884231835.db2.gz VGTYTXKZXMCXAH-NRFANRHFSA-N 0 0 396.462 3.500 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000192284276 884248388 /nfs/dbraw/zinc/24/83/88/884248388.db2.gz CWKOVGGQEBJJND-ZFWWWQNUSA-N 0 0 383.192 3.507 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000105117271 884268136 /nfs/dbraw/zinc/26/81/36/884268136.db2.gz CVZHPPISVGREJZ-UHFFFAOYSA-N 0 0 382.508 3.962 10 0 GHAERN COc1cc(SC)ccc1NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000192671626 884287172 /nfs/dbraw/zinc/28/71/72/884287172.db2.gz 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ZINC000102908232 884614016 /nfs/dbraw/zinc/61/40/16/884614016.db2.gz AMDIFOINAUODPR-UHFFFAOYSA-N 0 0 380.370 3.691 10 0 GHAERN C[C@H](C(=O)NC1CCC(C)CC1)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685442 884829407 /nfs/dbraw/zinc/82/94/07/884829407.db2.gz YIJGRJDLWWRFOC-BPELIAKESA-N 0 0 392.496 3.813 10 0 GHAERN NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000105957143 884878622 /nfs/dbraw/zinc/87/86/22/884878622.db2.gz XHODRJWMOUZIQS-FQEVSTJZSA-N 0 0 378.378 3.689 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1)[C@@H]1CCCO1 ZINC000303189094 885366968 /nfs/dbraw/zinc/36/69/68/885366968.db2.gz JNQUYURMANNBAA-IRXDYDNUSA-N 0 0 385.489 3.628 10 0 GHAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000104356219 885390274 /nfs/dbraw/zinc/39/02/74/885390274.db2.gz CJOFLCMELNKYDM-GOSISDBHSA-N 0 0 388.920 3.983 10 0 GHAERN O=C(Cc1ccccc1C(F)(F)F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306678 886258331 /nfs/dbraw/zinc/25/83/31/886258331.db2.gz AVEZOEDGSWTEFQ-UHFFFAOYSA-N 0 0 396.434 3.684 10 0 GHAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218919 886286534 /nfs/dbraw/zinc/28/65/34/886286534.db2.gz DNPPDVMJKCSJDC-LJQANCHMSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(Nc1cccc(C2SCCS2)c1)[C@H]1CCCN(c2ncccn2)C1 ZINC000032411866 886322663 /nfs/dbraw/zinc/32/26/63/886322663.db2.gz OZJRKLVSYONLNS-HNNXBMFYSA-N 0 0 386.546 3.810 10 0 GHAERN Cc1nc2ccccc2n1CCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114819779 886328249 /nfs/dbraw/zinc/32/82/49/886328249.db2.gz HCGDDJBJICSBHE-MRXNPFEDSA-N 0 0 383.521 3.781 10 0 GHAERN COc1cc(F)c([C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000114832303 886330169 /nfs/dbraw/zinc/33/01/69/886330169.db2.gz JWUIEZCYQJBTCK-CHWSQXEVSA-N 0 0 393.484 3.950 10 0 GHAERN CCOc1ccc(C(=O)CCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116836996 886373002 /nfs/dbraw/zinc/37/30/02/886373002.db2.gz VESHQMFSQZRRSO-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000117974540 886398521 /nfs/dbraw/zinc/39/85/21/886398521.db2.gz RRMOWJQSPQYPTN-OAQYLSRUSA-N 0 0 379.435 3.597 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000119147363 886429453 /nfs/dbraw/zinc/42/94/53/886429453.db2.gz DYZDCXYCGYOCKC-MRXNPFEDSA-N 0 0 382.533 3.834 10 0 GHAERN CCc1nc(-c2ccc(C(=O)N3CCC(c4nc(C)cs4)CC3)cc2)n[nH]1 ZINC000124881495 886807521 /nfs/dbraw/zinc/80/75/21/886807521.db2.gz SIVDUSMDIGVIPL-UHFFFAOYSA-N 0 0 381.505 3.819 10 0 GHAERN Cc1cc(C)nc(SCC(=O)N(C)[C@H](c2ccccc2)c2ccccn2)n1 ZINC000042732891 886808723 /nfs/dbraw/zinc/80/87/23/886808723.db2.gz QGOAOKFWGJKSJZ-HXUWFJFHSA-N 0 0 378.501 3.829 10 0 GHAERN O=C(Nc1ccccc1N1CCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000043485642 886862286 /nfs/dbraw/zinc/86/22/86/886862286.db2.gz CSAYQELQJJNVJQ-UHFFFAOYSA-N 0 0 398.551 3.933 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@H](C)c3nc(-c4ccccc4)no3)nc21 ZINC000125555163 886879891 /nfs/dbraw/zinc/87/98/91/886879891.db2.gz QBDXZZJJASWZMB-HNNXBMFYSA-N 0 0 389.459 3.774 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2c(C)noc2-c2ccccc2)c2ccccc2)[nH]1 ZINC000126295273 886952522 /nfs/dbraw/zinc/95/25/22/886952522.db2.gz WGJCWDLWJYHXSF-GOSISDBHSA-N 0 0 388.431 3.988 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000126352976 886960756 /nfs/dbraw/zinc/96/07/56/886960756.db2.gz FKHOVIPPZZYHCM-CYBMUJFWSA-N 0 0 389.908 3.943 10 0 GHAERN O=C(N1CCC(c2ccnn2CCO)CC1)C1(c2cccs2)CCCCC1 ZINC000126366830 886961207 /nfs/dbraw/zinc/96/12/07/886961207.db2.gz KTDGKJCLKUBKQN-UHFFFAOYSA-N 0 0 387.549 3.545 10 0 GHAERN O=C(CCc1ccc(Cl)cc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000126399425 886964334 /nfs/dbraw/zinc/96/43/34/886964334.db2.gz RVAUJRWCJAZYRK-UHFFFAOYSA-N 0 0 396.318 3.521 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3CCC(c4ccnn4CCO)CC3)o2)cc1 ZINC000126414565 886968265 /nfs/dbraw/zinc/96/82/65/886968265.db2.gz RLXNPCYQTAHHNR-UHFFFAOYSA-N 0 0 393.487 3.718 10 0 GHAERN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044567969 886975792 /nfs/dbraw/zinc/97/57/92/886975792.db2.gz QTOWEBLCUBSOPC-LJQANCHMSA-N 0 0 386.455 3.951 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cn(C)nc3-c3ccccc3Cl)CCO2)o1 ZINC000127082621 887028521 /nfs/dbraw/zinc/02/85/21/887028521.db2.gz JRWIUQKSPXHPBS-GOSISDBHSA-N 0 0 385.851 3.856 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)CCO2)o1 ZINC000127302947 887050504 /nfs/dbraw/zinc/05/05/04/887050504.db2.gz MWPBRRCWOCNDHJ-LJQANCHMSA-N 0 0 388.439 3.925 10 0 GHAERN CCCOc1ccc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000045881096 887104567 /nfs/dbraw/zinc/10/45/67/887104567.db2.gz CMFWIWVKKMOVND-SFHVURJKSA-N 0 0 393.491 3.607 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000127951246 887128683 /nfs/dbraw/zinc/12/86/83/887128683.db2.gz GVDOGPFDKMVTBO-CQSZACIVSA-N 0 0 391.562 3.607 10 0 GHAERN COc1ccc([C@H](NC(=O)CCCSC(C)(C)C)c2nccn2C)cc1 ZINC000128064242 887142047 /nfs/dbraw/zinc/14/20/47/887142047.db2.gz JABYKZYMHRGEKN-SFHVURJKSA-N 0 0 375.538 3.946 10 0 GHAERN O=C(NCc1cccnc1-n1cccn1)N(Cc1ccco1)Cc1ccccc1 ZINC000046094986 887142396 /nfs/dbraw/zinc/14/23/96/887142396.db2.gz HOLCWRLNUKVFCO-UHFFFAOYSA-N 0 0 387.443 3.772 10 0 GHAERN C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@H]1COc2ccccc21 ZINC000128436769 887185933 /nfs/dbraw/zinc/18/59/33/887185933.db2.gz IYYXBTHCSUOQTI-NOZJJQNGSA-N 0 0 381.657 3.792 10 0 GHAERN Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c(O)c1 ZINC000129554436 887318832 /nfs/dbraw/zinc/31/88/32/887318832.db2.gz QANAGGJGMAKUDL-JOCHJYFZSA-N 0 0 395.459 3.903 10 0 GHAERN COCCn1c(C)c(C)nc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000047561090 887339488 /nfs/dbraw/zinc/33/94/88/887339488.db2.gz GXHKNOCDHUJURG-OAHLLOKOSA-N 0 0 379.551 3.664 10 0 GHAERN O=C(Nc1ccccc1N1CCCC1=O)NC1CCN(c2cccs2)CC1 ZINC000130376951 887425060 /nfs/dbraw/zinc/42/50/60/887425060.db2.gz SOCRDJBCZCGOEK-UHFFFAOYSA-N 0 0 384.505 3.665 10 0 GHAERN CCCOc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000131599444 887556895 /nfs/dbraw/zinc/55/68/95/887556895.db2.gz OUQRXLBEVLQNOK-UHFFFAOYSA-N 0 0 385.439 3.500 10 0 GHAERN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000054538625 887995599 /nfs/dbraw/zinc/99/55/99/887995599.db2.gz HHWSKZNDRWGHPX-MRXNPFEDSA-N 0 0 392.425 3.930 10 0 GHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000054538935 887997810 /nfs/dbraw/zinc/99/78/10/887997810.db2.gz KYECYGOYTHSHDO-OAHLLOKOSA-N 0 0 376.407 3.583 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000135324341 888230501 /nfs/dbraw/zinc/23/05/01/888230501.db2.gz NAZRQDSHIYADDL-MRXNPFEDSA-N 0 0 399.482 3.667 10 0 GHAERN C[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1F ZINC000054067973 888262573 /nfs/dbraw/zinc/26/25/73/888262573.db2.gz CDRSLNPPPFKQJM-HNNXBMFYSA-N 0 0 393.478 3.850 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000105270926 888286600 /nfs/dbraw/zinc/28/66/00/888286600.db2.gz IBRMPIIILITVRU-KRWDZBQOSA-N 0 0 381.520 3.922 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000055418876 888316187 /nfs/dbraw/zinc/31/61/87/888316187.db2.gz XFKPIEVZJKDRIO-IGVGMEOHSA-N 0 0 385.467 3.702 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000137019003 888327724 /nfs/dbraw/zinc/32/77/24/888327724.db2.gz FTQQECCMHMDRMO-IBGZPJMESA-N 0 0 382.464 3.751 10 0 GHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000062130860 888500030 /nfs/dbraw/zinc/50/00/30/888500030.db2.gz WZVWHBFPZIZBPZ-UHFFFAOYSA-N 0 0 376.298 3.815 10 0 GHAERN CN1C(=O)Cc2cc(NC(=O)N3CC[C@H](Oc4cccc(Cl)c4)C3)ccc21 ZINC000194108064 888558298 /nfs/dbraw/zinc/55/82/98/888558298.db2.gz QQHMUMWOTZJPMJ-KRWDZBQOSA-N 0 0 385.851 3.544 10 0 GHAERN CC(=O)c1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C ZINC000194496809 888590507 /nfs/dbraw/zinc/59/05/07/888590507.db2.gz DXDXOEIVOUHBMP-NRFANRHFSA-N 0 0 382.435 3.560 10 0 GHAERN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1ccc[nH]c1=S ZINC000194488734 888591201 /nfs/dbraw/zinc/59/12/01/888591201.db2.gz MKDNNEYOYWJCRL-GFCCVEGCSA-N 0 0 392.322 3.763 10 0 GHAERN COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C[C@@H]2O ZINC000194568692 888595719 /nfs/dbraw/zinc/59/57/19/888595719.db2.gz JXKZGLKXTTWMBB-CPUCHLNUSA-N 0 0 387.863 3.537 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](c3cccs3)C(C)(C)C)c2)no1 ZINC000195064127 888642715 /nfs/dbraw/zinc/64/27/15/888642715.db2.gz OZAOKDDDODHTDS-INIZCTEOSA-N 0 0 398.488 3.949 10 0 GHAERN O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CC=C(c2ccccc2)CC1 ZINC000195454392 888666792 /nfs/dbraw/zinc/66/67/92/888666792.db2.gz QVIYIJGWWQIMCH-UHFFFAOYSA-N 0 0 399.376 3.611 10 0 GHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348282 888683134 /nfs/dbraw/zinc/68/31/34/888683134.db2.gz SLIBEFWIPDZEPL-CYBMUJFWSA-N 0 0 387.427 3.507 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000245390059 888744196 /nfs/dbraw/zinc/74/41/96/888744196.db2.gz KMZACQISLOUDPZ-ZDXQCDESSA-N 0 0 390.483 3.987 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(-c2nc(C3CC3)no2)c1 ZINC000245436313 888751810 /nfs/dbraw/zinc/75/18/10/888751810.db2.gz VAQBWLRGOSGBAY-KBRIMQKVSA-N 0 0 382.464 3.857 10 0 GHAERN Cc1c(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cnn1CCO[C@@H]1CCCCO1 ZINC000245626578 889088528 /nfs/dbraw/zinc/08/85/28/889088528.db2.gz GQYIVMCEPXYICI-NQSCKRDGSA-N 0 0 397.519 3.753 10 0 GHAERN C[C@H]1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C[C@@H](C)C1 ZINC000245659119 889179831 /nfs/dbraw/zinc/17/98/31/889179831.db2.gz FFBOYYDLYOGPBQ-QLPKVWCKSA-N 0 0 386.492 3.665 10 0 GHAERN CC(C)C[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1ccccc1 ZINC000245686658 889226962 /nfs/dbraw/zinc/22/69/62/889226962.db2.gz NJJXAJIMEPBLNM-HSALFYBXSA-N 0 0 384.524 3.663 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245703077 889307739 /nfs/dbraw/zinc/30/77/39/889307739.db2.gz WGEQYGJIBNVERO-QWFCFKBJSA-N 0 0 398.551 3.632 10 0 GHAERN Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245752701 889638833 /nfs/dbraw/zinc/63/88/33/889638833.db2.gz XYBUNBQUUUQPHX-LRDDRELGSA-N 0 0 399.297 3.597 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1OC1CCOCC1 ZINC000245885860 889934288 /nfs/dbraw/zinc/93/42/88/889934288.db2.gz KTYJITLBXOMRMD-DFQSSKMNSA-N 0 0 386.492 3.632 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000246028871 890207915 /nfs/dbraw/zinc/20/79/15/890207915.db2.gz NIKHIQINILKNJI-JZXOWHBKSA-N 0 0 383.448 3.524 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)CCO1 ZINC000246080002 890319523 /nfs/dbraw/zinc/31/95/23/890319523.db2.gz GJVALTQMHNFFFW-HNAYVOBHSA-N 0 0 387.505 3.579 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000246117029 890403674 /nfs/dbraw/zinc/40/36/74/890403674.db2.gz RGCKNMYPWSQMIF-WZONZLPQSA-N 0 0 386.499 3.784 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246140373 890509559 /nfs/dbraw/zinc/50/95/59/890509559.db2.gz XEKIIWPBGHEFSD-RLFYNMQTSA-N 0 0 388.464 3.656 10 0 GHAERN CC(C)(C)C(=O)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000066731345 891128633 /nfs/dbraw/zinc/12/86/33/891128633.db2.gz MQFJYYGMPGPTGI-UHFFFAOYSA-N 0 0 378.516 3.926 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(OCc3ccccc3)CC2)cc1 ZINC000067511572 891153472 /nfs/dbraw/zinc/15/34/72/891153472.db2.gz NNHBFJNYZOIIQG-FMIVXFBMSA-N 0 0 378.472 3.866 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N3CC=C(c4ccccc4)CC3)CC2)cs1 ZINC000068229063 891172446 /nfs/dbraw/zinc/17/24/46/891172446.db2.gz YBNLIVLPZCZEOD-UHFFFAOYSA-N 0 0 381.545 3.979 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000068714132 891186079 /nfs/dbraw/zinc/18/60/79/891186079.db2.gz RGGJKUBZIMDBJZ-LPHOPBHVSA-N 0 0 375.513 3.556 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccccc2)[nH]1 ZINC000246419401 891231210 /nfs/dbraw/zinc/23/12/10/891231210.db2.gz LWTSTIKKHVLHSJ-QLFBSQMISA-N 0 0 381.402 3.623 10 0 GHAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246425810 891235380 /nfs/dbraw/zinc/23/53/80/891235380.db2.gz NNIYEAJLFDEFFJ-VYDXJSESSA-N 0 0 390.332 3.588 10 0 GHAERN CN1CCOc2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3cccs3)cc21 ZINC000246442921 891242848 /nfs/dbraw/zinc/24/28/48/891242848.db2.gz DQTAVPYMAQMRTK-NVXWUHKLSA-N 0 0 387.505 3.697 10 0 GHAERN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000246618076 891292853 /nfs/dbraw/zinc/29/28/53/891292853.db2.gz VRMGHODVMVLLJG-NJYVYQBISA-N 0 0 393.874 3.782 10 0 GHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2C[C@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000246701768 891299022 /nfs/dbraw/zinc/29/90/22/891299022.db2.gz KSYICIWBTQWPTA-PMACEKPBSA-N 0 0 390.443 3.503 10 0 GHAERN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(N4CCO[C@H](C)C4)cc3)C2)cc1 ZINC000246726426 891301908 /nfs/dbraw/zinc/30/19/08/891301908.db2.gz MMHSHSHTINNRDI-IEBWSBKVSA-N 0 0 395.503 3.942 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247310298 891365154 /nfs/dbraw/zinc/36/51/54/891365154.db2.gz VXLPGTIFJDJJAH-KNQAVFIVSA-N 0 0 393.531 3.688 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247480945 891378417 /nfs/dbraw/zinc/37/84/17/891378417.db2.gz QYISBJXGSBRTAP-UHOSZYNNSA-N 0 0 385.439 3.879 10 0 GHAERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000248296667 891419327 /nfs/dbraw/zinc/41/93/27/891419327.db2.gz ZACNPQSDZGRJGB-MBDNFAEBSA-N 0 0 380.463 3.619 10 0 GHAERN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000248662971 891454560 /nfs/dbraw/zinc/45/45/60/891454560.db2.gz YYDSJJLYDJAXOV-IAOVAPTHSA-N 0 0 395.425 3.644 10 0 GHAERN CN1CC[C@@H](CNC(=O)c2ccnc(F)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248814478 891471389 /nfs/dbraw/zinc/47/13/89/891471389.db2.gz CTWFNDMLYJICQP-MEDUHNTESA-N 0 0 383.801 3.575 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H](c1cccs1)C(C)(C)C)CC2 ZINC000249438126 891507338 /nfs/dbraw/zinc/50/73/38/891507338.db2.gz LHVQIMMHHHMYTR-BRWVUGGUSA-N 0 0 380.554 3.797 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000249448130 891508008 /nfs/dbraw/zinc/50/80/08/891508008.db2.gz NXBDVVAZHUOIFH-VZJVUDMVSA-N 0 0 378.341 3.779 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000251644799 891635374 /nfs/dbraw/zinc/63/53/74/891635374.db2.gz IGSAVGBHCPRSNV-PGRDOPGGSA-N 0 0 390.531 3.549 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000282067015 892604304 /nfs/dbraw/zinc/60/43/04/892604304.db2.gz BMMZZYZDGLQGGY-QYZOEREBSA-N 0 0 376.472 3.525 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000101635875 897950751 /nfs/dbraw/zinc/95/07/51/897950751.db2.gz FTBMEMYXBAWEMJ-UHFFFAOYSA-N 0 0 377.916 3.559 10 0 GHAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000101996030 897987148 /nfs/dbraw/zinc/98/71/48/897987148.db2.gz LSRDORNNAOWPDH-KBXCAEBGSA-N 0 0 377.916 3.665 10 0 GHAERN C[C@H](NC(=O)C[S@@](=O)Cc1csc(Br)c1)c1cccs1 ZINC000103224376 898072671 /nfs/dbraw/zinc/07/26/71/898072671.db2.gz BDEMJESHYAGPAH-GWNMQOMSSA-N 0 0 392.365 3.698 10 0 GHAERN CCCCN(C)C(=O)C1CCN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000103317576 898084509 /nfs/dbraw/zinc/08/45/09/898084509.db2.gz SFXMWERQYNUMLG-UHFFFAOYSA-N 0 0 398.551 3.699 10 0 GHAERN Cc1cccc(NC(=O)COc2ccc(-c3noc([C@@H]4CCCO4)n3)cc2)c1 ZINC000103352197 898087244 /nfs/dbraw/zinc/08/72/44/898087244.db2.gz CDQWVBICAKKEDU-SFHVURJKSA-N 0 0 379.416 3.914 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000104266525 898134669 /nfs/dbraw/zinc/13/46/69/898134669.db2.gz FPHLFZAVPGNUBH-KSSFIOAISA-N 0 0 389.459 3.812 10 0 GHAERN CC(C)(C)NC(=O)C[S@](=O)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000105706500 898230211 /nfs/dbraw/zinc/23/02/11/898230211.db2.gz LHUXIKKJKZANDX-SANMLTNESA-N 0 0 377.481 3.568 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333600610 902215669 /nfs/dbraw/zinc/21/56/69/902215669.db2.gz BYAUJOGOPMUTQY-SOUVJXGZSA-N 0 0 379.298 3.563 10 0 GHAERN CCOc1ccc(NC(=O)N2CC[C@H](O)CC23CCC3)cc1Br ZINC000333769152 902320781 /nfs/dbraw/zinc/32/07/81/902320781.db2.gz FATXSTXQIRTUNZ-ZDUSSCGKSA-N 0 0 383.286 3.759 10 0 GHAERN CCCCOc1ccccc1COC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000103675051 904498414 /nfs/dbraw/zinc/49/84/14/904498414.db2.gz MJOPATBVLAEXGK-UHFFFAOYSA-N 0 0 388.508 3.837 10 0 GHAERN O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181274123 906960813 /nfs/dbraw/zinc/96/08/13/906960813.db2.gz IZZOIRHUXRLXPC-OAHLLOKOSA-N 0 0 386.456 3.750 10 0 GHAERN C[C@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccc(Br)cc1 ZINC000181384750 906988166 /nfs/dbraw/zinc/98/81/66/906988166.db2.gz BDGATQDRXZHYRQ-DOMZBBRYSA-N 0 0 377.286 3.815 10 0 GHAERN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nc[nH]n3)cs2)c(OC)c1 ZINC000182683554 907249901 /nfs/dbraw/zinc/24/99/01/907249901.db2.gz MINIDASYZCNKAK-MRXNPFEDSA-N 0 0 385.493 3.673 10 0 GHAERN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182684774 907250465 /nfs/dbraw/zinc/25/04/65/907250465.db2.gz JKNIPHVOIWVCQV-MBNYWOFBSA-N 0 0 398.536 3.516 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183072846 907322257 /nfs/dbraw/zinc/32/22/57/907322257.db2.gz PHFPESHGVJRWGF-SFHVURJKSA-N 0 0 396.495 3.580 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(OCC(F)(F)F)c1 ZINC000183075374 907323025 /nfs/dbraw/zinc/32/30/25/907323025.db2.gz FELCZKVORQVBEV-CYBMUJFWSA-N 0 0 383.374 3.813 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000185997404 907864624 /nfs/dbraw/zinc/86/46/24/907864624.db2.gz CUWIRHKNXAFVSZ-ACJLOTCBSA-N 0 0 382.493 3.640 10 0 GHAERN COc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3csc(C)n3)n2)cc1 ZINC000187117933 908039746 /nfs/dbraw/zinc/03/97/46/908039746.db2.gz RIIZVZDFKLDVAD-KRWDZBQOSA-N 0 0 398.488 3.806 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccccc2SCCC(N)=O)cs1 ZINC000188877093 908259508 /nfs/dbraw/zinc/25/95/08/908259508.db2.gz NMSNJPQTZBMFET-HNNXBMFYSA-N 0 0 390.534 3.788 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCOc2cccc3ccccc32)C1 ZINC000189115845 908285348 /nfs/dbraw/zinc/28/53/48/908285348.db2.gz ZQFURXDLWYUTIY-PKOBYXMFSA-N 0 0 395.459 3.679 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3C[C@@H](OC)C[C@@H]3c3nc(C)no3)o2)cc1 ZINC000189118437 908286354 /nfs/dbraw/zinc/28/63/54/908286354.db2.gz BXACKEBTEPIQBC-DLBZAZTESA-N 0 0 381.432 3.803 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cs1 ZINC000189763523 908373716 /nfs/dbraw/zinc/37/37/16/908373716.db2.gz YWIMDYCQURIBET-KRWDZBQOSA-N 0 0 395.475 3.848 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000190036806 908409734 /nfs/dbraw/zinc/40/97/34/908409734.db2.gz SOMBANGESPYGPU-NVXWUHKLSA-N 0 0 389.521 3.756 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000190053458 908414531 /nfs/dbraw/zinc/41/45/31/908414531.db2.gz QELQBHOJYWXFBW-CABCVRRESA-N 0 0 375.494 3.630 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000190060578 908416005 /nfs/dbraw/zinc/41/60/05/908416005.db2.gz XJBVYUIRBJCPQW-HFBAOOFYSA-N 0 0 397.397 3.879 10 0 GHAERN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000191780292 908671332 /nfs/dbraw/zinc/67/13/32/908671332.db2.gz XZDFVJBJLUTLCE-SWLSCSKDSA-N 0 0 393.875 3.631 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CCO2)n1 ZINC000194324537 908937169 /nfs/dbraw/zinc/93/71/69/908937169.db2.gz GUZNLVTVMFXKHY-NVXWUHKLSA-N 0 0 387.505 3.837 10 0 GHAERN C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC12CCC2 ZINC000284548902 911921543 /nfs/dbraw/zinc/92/15/43/911921543.db2.gz ACNROAAUIATSGQ-LKUPVBHCSA-N 0 0 381.520 3.562 10 0 GHAERN Cn1ncc2c1C[C@@H](C(=O)N1CCC(c3nc4cc(F)ccc4s3)CC1)CC2 ZINC000373988471 926628618 /nfs/dbraw/zinc/62/86/18/926628618.db2.gz ATBAFEHLLALNBB-AWEZNQCLSA-N 0 0 398.507 3.680 10 0 GHAERN Cc1ccc(SC2CCCC2)c(C(=O)NCc2cccnc2-n2cncn2)c1 ZINC000182016302 1014569199 /nfs/dbraw/zinc/56/91/99/1014569199.db2.gz QGVSMDJOSAUFOL-UHFFFAOYSA-N 0 0 393.516 3.935 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)C2CCCCC2)c2ccc(F)cc2C1 ZINC000184025720 1014570419 /nfs/dbraw/zinc/57/04/19/1014570419.db2.gz CLWVSSGMKRBIOC-VBKZILBWSA-N 0 0 375.488 3.887 10 0 GHAERN CCOC(=O)c1ccn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)n1 ZINC000004881432 204085853 /nfs/dbraw/zinc/08/58/53/204085853.db2.gz RTQDQMBUPOMIBI-UHFFFAOYSA-N 0 0 380.301 3.664 10 0 GHAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000004575605 204054425 /nfs/dbraw/zinc/05/44/25/204054425.db2.gz SJSJFFFPGAOERB-FXCLAUTBSA-N 0 0 379.460 3.579 10 0 GHAERN C[C@@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000005238037 204120675 /nfs/dbraw/zinc/12/06/75/204120675.db2.gz OPVIHEWFIJAMGI-MRVPVSSYSA-N 0 0 384.288 3.685 10 0 GHAERN O=C(NCc1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1ccccc1 ZINC000006808173 204210862 /nfs/dbraw/zinc/21/08/62/204210862.db2.gz UCGIWVUNJVVPKJ-UHFFFAOYSA-N 0 0 397.360 3.740 10 0 GHAERN CCNC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000006871946 204217994 /nfs/dbraw/zinc/21/79/94/204217994.db2.gz ZWZJINVEWGTSAZ-LJQANCHMSA-N 0 0 385.439 3.559 10 0 GHAERN C[C@H]1[C@H](NC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccccc2)CCC[C@@H]1C ZINC000006725088 204196001 /nfs/dbraw/zinc/19/60/01/204196001.db2.gz ILZRRURGSORJTI-PMKZCDPUSA-N 0 0 393.487 3.825 10 0 GHAERN COc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000006775570 204203373 /nfs/dbraw/zinc/20/33/73/204203373.db2.gz KLMSUWXSYSHPKR-UHFFFAOYSA-N 0 0 378.363 3.927 10 0 GHAERN CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000007312459 204238534 /nfs/dbraw/zinc/23/85/34/204238534.db2.gz YKIICVXALZUWCD-GFCCVEGCSA-N 0 0 375.266 3.827 10 0 GHAERN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(F)c(F)c3)N3CCC[C@@]23C1=O ZINC000011874310 204359932 /nfs/dbraw/zinc/35/99/32/204359932.db2.gz YEMPGMUVXIZYOW-NYDSKATKSA-N 0 0 398.453 3.911 10 0 GHAERN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cc2ccn(C)c2)cc1 ZINC000012003737 204366979 /nfs/dbraw/zinc/36/69/79/204366979.db2.gz BJNTWOJDVKVARP-HXUWFJFHSA-N 0 0 392.503 3.592 10 0 GHAERN Cc1cc(-c2nnc(CCC(=O)N(C)CCOc3ccc(C)cc3)o2)c(C)o1 ZINC000012022490 204367210 /nfs/dbraw/zinc/36/72/10/204367210.db2.gz QFNGLRIVKLBEEF-UHFFFAOYSA-N 0 0 383.448 3.725 10 0 GHAERN COc1ccc(-c2cnnc(N(C)Cc3nc4cc(Cl)ccc4[nH]3)n2)cc1 ZINC000012195851 204380734 /nfs/dbraw/zinc/38/07/34/204380734.db2.gz MVZAGZWNJSRWDX-UHFFFAOYSA-N 0 0 380.839 3.713 10 0 GHAERN COc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3=O)cc2)cc1Cl ZINC000012198966 204381423 /nfs/dbraw/zinc/38/14/23/204381423.db2.gz HIUQGIGKWFURDK-UHFFFAOYSA-N 0 0 394.880 3.666 10 0 GHAERN Cc1c2cc(C)cc(CNC(=O)C[C@H]3CCC(=O)N3)c2[nH]c1-c1ccccc1 ZINC000014974585 204549623 /nfs/dbraw/zinc/54/96/23/204549623.db2.gz ALQKITJCENUGFJ-GOSISDBHSA-N 0 0 375.472 3.737 10 0 GHAERN CN(Cc1ccncn1)c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1 ZINC000019811839 204685779 /nfs/dbraw/zinc/68/57/79/204685779.db2.gz NVZNPPATVOPUJJ-UHFFFAOYSA-N 0 0 378.823 3.878 10 0 GHAERN CN(C(=O)Cn1c2ccccc2c(N(C)c2ccccc2)nc1=O)c1ccccc1 ZINC000033287442 204956113 /nfs/dbraw/zinc/95/61/13/204956113.db2.gz VKHJIYKVGZCVRJ-UHFFFAOYSA-N 0 0 398.466 3.827 10 0 GHAERN Cc1ccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065628 205003822 /nfs/dbraw/zinc/00/38/22/205003822.db2.gz SXUBRZUTKFDEKX-LJQANCHMSA-N 0 0 399.535 3.811 10 0 GHAERN CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000039952750 205043726 /nfs/dbraw/zinc/04/37/26/205043726.db2.gz YFTCBNLXICTEAL-SFHVURJKSA-N 0 0 376.497 3.852 10 0 GHAERN OCCOc1ccccc1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1 ZINC000043103191 205081352 /nfs/dbraw/zinc/08/13/52/205081352.db2.gz BNRCBPFAURSOLJ-UHFFFAOYSA-N 0 0 383.879 3.660 10 0 GHAERN CC(C)OC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C ZINC000043065288 205081460 /nfs/dbraw/zinc/08/14/60/205081460.db2.gz USRKFGIXLGKMKU-ABAIWWIYSA-N 0 0 381.473 3.772 10 0 in-vitro GHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccc(Br)cn1 ZINC000040779953 205071123 /nfs/dbraw/zinc/07/11/23/205071123.db2.gz ASTYIMOJHDUOSX-UHFFFAOYSA-N 0 0 389.232 3.711 10 0 GHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Br)cn1 ZINC000040779736 205071519 /nfs/dbraw/zinc/07/15/19/205071519.db2.gz BUXIRQCBUYGLSZ-UHFFFAOYSA-N 0 0 375.205 3.843 10 0 GHAERN Cc1c(C(=O)N2CCN(C)CC2)oc2c1C1(CC(C)(C)C2)SCCS1 ZINC000040802904 205072095 /nfs/dbraw/zinc/07/20/95/205072095.db2.gz MWMXIEPWTLBDFJ-UHFFFAOYSA-N 0 0 380.579 3.581 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000040828226 205072910 /nfs/dbraw/zinc/07/29/10/205072910.db2.gz ODRYGVIVNQDTOM-UHFFFAOYSA-N 0 0 378.881 3.813 10 0 GHAERN CC(=O)c1nc2cccnc2n1C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082758 205438025 /nfs/dbraw/zinc/43/80/25/205438025.db2.gz JGWXIUMAPHQXQU-SFHVURJKSA-N 0 0 392.459 3.683 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084583 205438535 /nfs/dbraw/zinc/43/85/35/205438535.db2.gz VCZIMCFBHPIWQG-OAHLLOKOSA-N 0 0 384.480 3.982 10 0 GHAERN COc1ccc(Cc2cc(C(=O)N[C@H](C)c3nc4cc(C)ccc4[nH]3)on2)cc1 ZINC000012097776 221150778 /nfs/dbraw/zinc/15/07/78/221150778.db2.gz HMAYUYDWUIEAGG-CQSZACIVSA-N 0 0 390.443 3.950 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000307646011 526395208 /nfs/dbraw/zinc/39/52/08/526395208.db2.gz AYPFRNSJUQMLMY-OAHLLOKOSA-N 0 0 384.423 3.805 10 0 GHAERN CN(C)C(=O)c1cc(-c2cnn(-c3ccccn3)c2)nc2cc(Cl)ccc21 ZINC000023192823 570349577 /nfs/dbraw/zinc/34/95/77/570349577.db2.gz MEYDBBFKATVDLX-UHFFFAOYSA-N 0 0 377.835 3.838 10 0 GHAERN CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000220633968 570389857 /nfs/dbraw/zinc/38/98/57/570389857.db2.gz YZOHNZKVOQMWJV-FGZHOGPDSA-N 0 0 381.472 3.929 10 0 GHAERN CCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc21 ZINC000065270711 570770344 /nfs/dbraw/zinc/77/03/44/570770344.db2.gz KPPFHEQGVRPGOL-UHFFFAOYSA-N 0 0 380.835 3.883 10 0 GHAERN CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000583615188 570800604 /nfs/dbraw/zinc/80/06/04/570800604.db2.gz PVQUAZOAOZKDFS-IKGGRYGDSA-N 0 0 388.899 3.642 10 0 GHAERN CC(C)Cn1c(C[C@H]2CCN(C(=O)NCc3ccccc3)C2)nc2cccnc21 ZINC000096310557 570895981 /nfs/dbraw/zinc/89/59/81/570895981.db2.gz PVBLSFXUGGBHPI-LJQANCHMSA-N 0 0 391.519 3.862 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000376480410 837511590 /nfs/dbraw/zinc/51/15/90/837511590.db2.gz YYRWLOZKGSKXPM-GFCCVEGCSA-N 0 0 384.766 3.778 10 0 GHAERN Cc1csc(C2CCN([C@H](C)C(=O)N[C@@H]3CCOc4ccccc43)CC2)n1 ZINC000156679758 834499944 /nfs/dbraw/zinc/49/99/44/834499944.db2.gz HOAYTYGQNBRRKD-CRAIPNDOSA-N 0 0 385.533 3.659 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)n1 ZINC000110892853 834788223 /nfs/dbraw/zinc/78/82/23/834788223.db2.gz TTXNWEMUZSPQPF-FDTPJVBNSA-N 0 0 386.540 3.580 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)n1 ZINC000329315374 834827687 /nfs/dbraw/zinc/82/76/87/834827687.db2.gz DSOMQWSTUPIGLG-CYBMUJFWSA-N 0 0 389.862 3.721 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)c1ccc3c(c1)C(=O)CCC3)CCC2 ZINC000329851148 834894206 /nfs/dbraw/zinc/89/42/06/834894206.db2.gz QNCVQISVJGPLHJ-QGZVFWFLSA-N 0 0 390.530 3.669 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000408420295 834954400 /nfs/dbraw/zinc/95/44/00/834954400.db2.gz UPWDOIDHAZBJNJ-TWPQKTAQSA-N 0 0 377.641 3.931 10 0 GHAERN O=C(Cc1ccc(O)cc1Cl)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000157509693 834965734 /nfs/dbraw/zinc/96/57/34/834965734.db2.gz UFTWEWWIBBWUBN-INIZCTEOSA-N 0 0 398.890 3.731 10 0 GHAERN CC(=O)c1c(C)cccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000157661831 835025672 /nfs/dbraw/zinc/02/56/72/835025672.db2.gz YEIIGTJQDFFMHB-UHFFFAOYSA-N 0 0 382.435 3.828 10 0 GHAERN COc1ncnc2c1CN(C(=O)Nc1ccc(N3CCCC[C@@H]3C)cc1C)CC2 ZINC000157678336 835034624 /nfs/dbraw/zinc/03/46/24/835034624.db2.gz MMDNBXIVUHKXNO-INIZCTEOSA-N 0 0 395.507 3.763 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(Oc4ccncc4)c3)CC2)nc1 ZINC000157746134 835080747 /nfs/dbraw/zinc/08/07/47/835080747.db2.gz ZKSLSRRGXFTEDD-UHFFFAOYSA-N 0 0 388.471 3.976 10 0 GHAERN CCc1c(NC(=O)/C=C\c2ccncn2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000588583860 835104874 /nfs/dbraw/zinc/10/48/74/835104874.db2.gz KOMFAUKZAJNCLD-YVMONPNESA-N 0 0 387.365 3.895 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000158216360 835276861 /nfs/dbraw/zinc/27/68/61/835276861.db2.gz JFRDETWUNWUYQY-OAHLLOKOSA-N 0 0 385.468 3.939 10 0 GHAERN O=C(Nc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1)c1cccnc1 ZINC000101525341 835307374 /nfs/dbraw/zinc/30/73/74/835307374.db2.gz CRUGTIKVPFOYEK-UHFFFAOYSA-N 0 0 385.383 3.636 10 0 GHAERN Brc1ccc2oc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cc2c1 ZINC000329592598 835315326 /nfs/dbraw/zinc/31/53/26/835315326.db2.gz BZUMTRFTOSKKFU-WFASDCNBSA-N 0 0 390.237 3.781 10 0 GHAERN Cc1nc2cc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)ccc2o1 ZINC000158778241 835536184 /nfs/dbraw/zinc/53/61/84/835536184.db2.gz PVPVUYNSSKBKGI-UHFFFAOYSA-N 0 0 384.461 3.578 10 0 GHAERN C[C@]1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCc2ccccc21 ZINC000159207934 835761775 /nfs/dbraw/zinc/76/17/75/835761775.db2.gz UIGURJCFTWRDTN-DEOSSOPVSA-N 0 0 382.548 3.922 10 0 GHAERN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCCC2 ZINC000151985032 835969563 /nfs/dbraw/zinc/96/95/63/835969563.db2.gz SCQGKXAMZAIAHT-DYESRHJHSA-N 0 0 393.535 3.727 10 0 GHAERN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000332811056 836673408 /nfs/dbraw/zinc/67/34/08/836673408.db2.gz LHJWIAWGLKBARQ-CGBFIWBNSA-N 0 0 389.588 3.659 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[C@H](c3ccccc3F)C1)C2 ZINC000332811586 836674382 /nfs/dbraw/zinc/67/43/82/836674382.db2.gz MFLYEQYOMBQKHU-JKSUJKDBSA-N 0 0 384.499 3.834 10 0 GHAERN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)nn1 ZINC000332833327 836717199 /nfs/dbraw/zinc/71/71/99/836717199.db2.gz UIYZRSYUXPGCMH-GUDVDZBRSA-N 0 0 385.556 3.754 10 0 GHAERN Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C1)CCCC2 ZINC000408416761 844195170 /nfs/dbraw/zinc/19/51/70/844195170.db2.gz VTAZYAPHYXXRLA-CYBMUJFWSA-N 0 0 377.847 3.656 10 0 GHAERN Cc1cnn([C@H]2CCN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)c1 ZINC000332865229 836827369 /nfs/dbraw/zinc/82/73/69/836827369.db2.gz SIWUUYODHZFOLI-PKOBYXMFSA-N 0 0 380.492 3.985 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H]1CCc3c1cccc3F)CC2 ZINC000332911785 836971976 /nfs/dbraw/zinc/97/19/76/836971976.db2.gz KBCQXKAWEPILSR-MEDUHNTESA-N 0 0 393.384 3.852 10 0 GHAERN Cc1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 ZINC000275523396 837169154 /nfs/dbraw/zinc/16/91/54/837169154.db2.gz YFMHAFCGXCYSNU-LSDHHAIUSA-N 0 0 389.521 3.804 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(C)Cc3nc4c(s3)CCCC4)CC2)nc1 ZINC000177544319 838015712 /nfs/dbraw/zinc/01/57/12/838015712.db2.gz HPQVTDBIQKVYSX-UHFFFAOYSA-N 0 0 399.564 3.536 10 0 GHAERN C[C@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccnc1 ZINC000174461915 839529984 /nfs/dbraw/zinc/52/99/84/839529984.db2.gz RXNJZIVVEUINOC-SUMWQHHRSA-N 0 0 375.266 3.548 10 0 GHAERN CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(Cl)c1 ZINC000588388198 840161135 /nfs/dbraw/zinc/16/11/35/840161135.db2.gz KFBCFUNUHOFLMD-YHYXMXQVSA-N 0 0 382.844 3.527 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@H]4[C@H]4CCCC[C@H]4O)cc3c2C1 ZINC000408096009 840190088 /nfs/dbraw/zinc/19/00/88/840190088.db2.gz UKRRZXSSPYMVOE-CBGOGXAZSA-N 0 0 396.531 3.685 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@H]4[C@@H]4CCCC[C@@H]4O)cc3c2C1 ZINC000408096011 840190261 /nfs/dbraw/zinc/19/02/61/840190261.db2.gz UKRRZXSSPYMVOE-WPIVQRKMSA-N 0 0 396.531 3.685 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1csc(-c2ccccc2)n1 ZINC000010894127 840233870 /nfs/dbraw/zinc/23/38/70/840233870.db2.gz YAVHITWCAQYESO-QGZVFWFLSA-N 0 0 395.509 3.929 10 0 GHAERN O=C(NCc1cc(Cl)sc1Cl)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000408085997 840336090 /nfs/dbraw/zinc/33/60/90/840336090.db2.gz FMQRONHZVVEIJK-YGRLFVJLSA-N 0 0 381.350 3.909 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000332763537 844534721 /nfs/dbraw/zinc/53/47/21/844534721.db2.gz YOMXDHIPGONORN-JCURWCKSSA-N 0 0 386.414 3.650 10 0 GHAERN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)/C=C\c1ccncn1 ZINC000588393229 840402269 /nfs/dbraw/zinc/40/22/69/840402269.db2.gz NYTCPSSYKSXIMB-XQRVVYSFSA-N 0 0 393.274 3.674 10 0 GHAERN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC(n2cncn2)CC1 ZINC000110148892 840596968 /nfs/dbraw/zinc/59/69/68/840596968.db2.gz VMJXAPNQTKJJOY-UHFFFAOYSA-N 0 0 393.925 3.902 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000106214939 840779636 /nfs/dbraw/zinc/77/96/36/840779636.db2.gz QEVIACKGTKFZJX-CQSZACIVSA-N 0 0 396.564 3.748 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1 ZINC000119241998 840932315 /nfs/dbraw/zinc/93/23/15/840932315.db2.gz BOQAWLSIXPOUHL-JNCPLXCYSA-N 0 0 381.520 3.844 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408127854 841076244 /nfs/dbraw/zinc/07/62/44/841076244.db2.gz HEUXECXVLLMTOT-NXWXRZEISA-N 0 0 376.472 3.765 10 0 GHAERN O=S(=O)(N1CCCCC1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000042677132 841104175 /nfs/dbraw/zinc/10/41/75/841104175.db2.gz XZMYGPXZPNILNP-UHFFFAOYSA-N 0 0 399.969 3.860 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000333314814 844611898 /nfs/dbraw/zinc/61/18/98/844611898.db2.gz OPNAEKUHXHXGPE-UHFFFAOYSA-N 0 0 395.908 3.968 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000330241545 841460323 /nfs/dbraw/zinc/46/03/23/841460323.db2.gz JAWPEGUCCJXWQO-APWZRJJASA-N 0 0 391.537 3.658 10 0 GHAERN Cc1cn(-c2ccc(Cl)cc2)nc1N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O ZINC000329264921 861220058 /nfs/dbraw/zinc/22/00/58/861220058.db2.gz FQLXDTMFGICYMB-JQFCIGGWSA-N 0 0 384.867 3.934 10 0 GHAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153200933 842272634 /nfs/dbraw/zinc/27/26/34/842272634.db2.gz TVPPWAWCFKDAGZ-AOMKIAJQSA-N 0 0 395.551 3.503 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330240 861293170 /nfs/dbraw/zinc/29/31/70/861293170.db2.gz LPAYOEUXIXVPSJ-QAPCUYQASA-N 0 0 386.471 3.707 10 0 GHAERN C[C@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000094031706 842417114 /nfs/dbraw/zinc/41/71/14/842417114.db2.gz URWKCXTVSCKTJX-UTUOFQBUSA-N 0 0 398.297 3.601 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000588434604 842511905 /nfs/dbraw/zinc/51/19/05/842511905.db2.gz POZYKGUYDBDQEW-SREVYHEPSA-N 0 0 383.492 3.857 10 0 GHAERN CC(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 ZINC000328868553 842727561 /nfs/dbraw/zinc/72/75/61/842727561.db2.gz XLLZIWLIFUNOQP-MZKRTTBSSA-N 0 0 396.535 3.796 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408352731 842751925 /nfs/dbraw/zinc/75/19/25/842751925.db2.gz UIGKNXCLFSIWGE-CQSZACIVSA-N 0 0 388.320 3.870 10 0 GHAERN C[C@H]1CN(c2ccccc2NC(=O)N2CCOc3ccc(F)cc3C2)C[C@H](C)O1 ZINC000408359796 842799198 /nfs/dbraw/zinc/79/91/98/842799198.db2.gz WUAVDMYXTVYBMF-HOTGVXAUSA-N 0 0 399.466 3.866 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 ZINC000162711227 842853693 /nfs/dbraw/zinc/85/36/93/842853693.db2.gz MCAXCFSYDWQRJE-UHFFFAOYSA-N 0 0 384.867 3.823 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCCCC[C@@H]1c1ccncc1 ZINC000247632265 842983555 /nfs/dbraw/zinc/98/35/55/842983555.db2.gz SYUMAQXUXSRYDL-GGPKGHCWSA-N 0 0 375.538 3.763 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H]2CCOC3(CCCC3)C2)C[C@H](C)O1 ZINC000247641392 843014282 /nfs/dbraw/zinc/01/42/82/843014282.db2.gz UXLHZWZXKPGGDT-KSZLIROESA-N 0 0 387.524 3.914 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2ccccc2Br)CC1 ZINC000162589730 843279777 /nfs/dbraw/zinc/27/97/77/843279777.db2.gz AOBALWZETLOJIF-UHFFFAOYSA-N 0 0 390.325 3.597 10 0 GHAERN O=C(CCc1c[nH]c2ccccc12)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307643 843352165 /nfs/dbraw/zinc/35/21/65/843352165.db2.gz OEJZYGHUFXAWMQ-UHFFFAOYSA-N 0 0 381.501 3.537 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000112430642 843355453 /nfs/dbraw/zinc/35/54/53/843355453.db2.gz PILJJQGGKKMOSQ-CYBMUJFWSA-N 0 0 393.459 3.645 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000588457325 843382649 /nfs/dbraw/zinc/38/26/49/843382649.db2.gz CPWOCGYGTWQYCB-SQFISAMPSA-N 0 0 380.419 3.907 10 0 GHAERN CN(C(=O)NC1CCC(C(=O)N2CCSCC2)CC1)C1CCC(C)(C)CC1 ZINC000124287387 843552066 /nfs/dbraw/zinc/55/20/66/843552066.db2.gz NNFWWPUWWZTVTI-UHFFFAOYSA-N 0 0 395.613 3.731 10 0 GHAERN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330299452 843594582 /nfs/dbraw/zinc/59/45/82/843594582.db2.gz HZULLRAGASOADE-UZLBHIALSA-N 0 0 390.549 3.654 10 0 GHAERN CCC[C@@]1(C)CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000408251648 843601200 /nfs/dbraw/zinc/60/12/00/843601200.db2.gz DXSIMOLVFWIKQS-NGICGMGXSA-N 0 0 395.613 3.732 10 0 GHAERN CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000150828435 845030548 /nfs/dbraw/zinc/03/05/48/845030548.db2.gz HHZNOSNISVUPMC-SFHVURJKSA-N 0 0 385.851 3.571 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4sc5ccccc5c43)C2)n1 ZINC000333372514 845087934 /nfs/dbraw/zinc/08/79/34/845087934.db2.gz ZIMYKQFSDAHELE-HNNXBMFYSA-N 0 0 378.505 3.969 10 0 GHAERN FC(F)(F)Cn1nnnc1SCc1ncc(-c2ccccc2Cl)o1 ZINC000150955642 845100728 /nfs/dbraw/zinc/10/07/28/845100728.db2.gz VCUVQHAAVHCYQX-UHFFFAOYSA-N 0 0 375.763 3.836 10 0 GHAERN Cc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1C(=O)N(C)C ZINC000151078633 845128535 /nfs/dbraw/zinc/12/85/35/845128535.db2.gz PZLMRUBADRTUJP-UHFFFAOYSA-N 0 0 386.521 3.549 10 0 GHAERN CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3Cn3ccnc3)c2)n1 ZINC000151347521 845191976 /nfs/dbraw/zinc/19/19/76/845191976.db2.gz BHTHOLVLXMBIOT-MRXNPFEDSA-N 0 0 380.452 3.500 10 0 GHAERN O=C(Oc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151450218 845196590 /nfs/dbraw/zinc/19/65/90/845196590.db2.gz PWEJBBYDWXJPEH-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000333422647 845213603 /nfs/dbraw/zinc/21/36/03/845213603.db2.gz IHYDNRGUTCPYLM-CEXWTWQISA-N 0 0 394.585 3.594 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000151783108 845731143 /nfs/dbraw/zinc/73/11/43/845731143.db2.gz LSOMAJKSMYXQAN-GDBMZVCRSA-N 0 0 388.489 3.509 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)sc1C ZINC000329547638 861630834 /nfs/dbraw/zinc/63/08/34/861630834.db2.gz HOIUUNJFNNVBDG-DLBZAZTESA-N 0 0 391.581 3.751 10 0 GHAERN C[C@@]12CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333531954 846229498 /nfs/dbraw/zinc/22/94/98/846229498.db2.gz QGZXSGVDNGUADJ-BKNXTSAKSA-N 0 0 391.515 3.631 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@H](c2ccsc2)C1 ZINC000152206846 846390269 /nfs/dbraw/zinc/39/02/69/846390269.db2.gz XBGLJOUSYMROKP-INIZCTEOSA-N 0 0 377.535 3.562 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000152337328 846714833 /nfs/dbraw/zinc/71/48/33/846714833.db2.gz DUBBVMUSYVGYRO-MAUKXSAKSA-N 0 0 381.476 3.855 10 0 GHAERN C[C@H](CCS(C)(=O)=O)OC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000588510706 846792806 /nfs/dbraw/zinc/79/28/06/846792806.db2.gz RZENOFSQADTKMU-QQMDNXKGSA-N 0 0 384.803 3.652 10 0 GHAERN C[C@@H]1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)[C@H]1C ZINC000329628064 861818408 /nfs/dbraw/zinc/81/84/08/861818408.db2.gz UNNQKZKPKZBCON-FPSMNIFISA-N 0 0 376.545 3.610 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cn2)o1 ZINC000408239482 848408027 /nfs/dbraw/zinc/40/80/27/848408027.db2.gz ZEOPOVOMZSTKQX-CYBMUJFWSA-N 0 0 385.283 3.661 10 0 GHAERN CC(C)(c1noc([C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000329653707 861914895 /nfs/dbraw/zinc/91/48/95/861914895.db2.gz DXROVVFTHJZMSA-QZTJIDSGSA-N 0 0 387.524 3.836 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000153626705 848790260 /nfs/dbraw/zinc/79/02/60/848790260.db2.gz BPRVMWUNTCKYFQ-DZGCQCFKSA-N 0 0 381.432 3.550 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CCO2)o1 ZINC000153798329 849019022 /nfs/dbraw/zinc/01/90/22/849019022.db2.gz PUNLKBUCISRLME-HXUWFJFHSA-N 0 0 399.491 3.888 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)o1 ZINC000154648122 849353840 /nfs/dbraw/zinc/35/38/40/849353840.db2.gz CWYINLGFQLMGSX-AWEZNQCLSA-N 0 0 380.242 3.659 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000154859154 849381910 /nfs/dbraw/zinc/38/19/10/849381910.db2.gz CIJWCPRECKEWTC-UHFFFAOYSA-N 0 0 384.835 3.668 10 0 GHAERN C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C[C@@H](c2ccsc2)O1 ZINC000156269761 849838079 /nfs/dbraw/zinc/83/80/79/849838079.db2.gz LGYXQIZVHQCLCM-HGUWWVAJSA-N 0 0 396.512 3.642 10 0 GHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164059165 851221819 /nfs/dbraw/zinc/22/18/19/851221819.db2.gz VGNXTAWJHOGHRZ-ZIAGYGMSSA-N 0 0 395.429 3.836 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H](c4nccs4)C3)C2)cc1 ZINC000170890668 851598307 /nfs/dbraw/zinc/59/83/07/851598307.db2.gz BTUHYHIRTVZSKA-OALUTQOASA-N 0 0 397.544 3.710 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C12CCCC2 ZINC000121248157 851801454 /nfs/dbraw/zinc/80/14/54/851801454.db2.gz IPNFERTWFWLRGU-IAGOWNOFSA-N 0 0 381.476 3.839 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCc2cccc3ccccc32)CC1 ZINC000101790310 851914593 /nfs/dbraw/zinc/91/45/93/851914593.db2.gz QRSWVJXUVXDHFE-SFHVURJKSA-N 0 0 395.547 3.965 10 0 GHAERN Cc1noc(CCNC(=O)NCc2ccc(Oc3ccc(F)cc3)c(C)c2)n1 ZINC000102009680 852087900 /nfs/dbraw/zinc/08/79/00/852087900.db2.gz VFFXQKIQGPJXDB-UHFFFAOYSA-N 0 0 384.411 3.660 10 0 GHAERN CC1CCC(N2C[C@H](C(=O)N[C@H]3CCO[C@H](c4cccs4)C3)CC2=O)CC1 ZINC000333953493 853266707 /nfs/dbraw/zinc/26/67/07/853266707.db2.gz DJIUGQRCZPVWJX-MGDNZTJNSA-N 0 0 390.549 3.512 10 0 GHAERN CN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246843097 853304690 /nfs/dbraw/zinc/30/46/90/853304690.db2.gz UYXDTXLGPWXXIZ-PZJWPPBQSA-N 0 0 379.508 3.628 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)cccc1N1CCNC1=O ZINC000164609862 853614041 /nfs/dbraw/zinc/61/40/41/853614041.db2.gz AEPYSHFRQSHBAX-ICSRJNTNSA-N 0 0 397.519 3.669 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](N2CCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000334055898 853853376 /nfs/dbraw/zinc/85/33/76/853853376.db2.gz VDYRBZXRGBVZEA-CGVQKBNFSA-N 0 0 387.568 3.778 10 0 GHAERN O=S(=O)(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1c[nH]c2ncccc12 ZINC000122952893 854263740 /nfs/dbraw/zinc/26/37/40/854263740.db2.gz VHNLSGVOEYHEOL-INIZCTEOSA-N 0 0 383.473 3.678 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CCO2)n1 ZINC000328671045 854498757 /nfs/dbraw/zinc/49/87/57/854498757.db2.gz GWVRFHCQJNYHHB-DZGCQCFKSA-N 0 0 389.502 3.504 10 0 GHAERN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000328985895 854641719 /nfs/dbraw/zinc/64/17/19/854641719.db2.gz UANZDYJZYATEKG-CJBNDPTMSA-N 0 0 378.398 3.538 10 0 GHAERN CCn1cnnc1[C@@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000328991069 854643539 /nfs/dbraw/zinc/64/35/39/854643539.db2.gz IGZFJVDLGSZDPE-LJQANCHMSA-N 0 0 395.551 3.843 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)c2ccccc21 ZINC000124876810 854647962 /nfs/dbraw/zinc/64/79/62/854647962.db2.gz HOSMZOPLBJZHGC-MQNAVGNWSA-N 0 0 378.516 3.939 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(c1ccnc(N[C@@H]3CCCO[C@H]3C(C)C)n1)C2 ZINC000330142906 862610929 /nfs/dbraw/zinc/61/09/29/862610929.db2.gz QUVLORMQEZVRBD-UZLBHIALSA-N 0 0 398.555 3.512 10 0 GHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000330162135 862626147 /nfs/dbraw/zinc/62/61/47/862626147.db2.gz AFDYGOOISVCZKS-HNNXBMFYSA-N 0 0 387.553 3.945 10 0 GHAERN O=C(C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(F)cc1F ZINC000105685476 855131832 /nfs/dbraw/zinc/13/18/32/855131832.db2.gz WVVAHDWPRLVWES-HHHXNRCGSA-N 0 0 394.374 3.646 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000190024688 855407870 /nfs/dbraw/zinc/40/78/70/855407870.db2.gz NZRLRZOBIYTZCU-WBVHZDCISA-N 0 0 395.484 3.807 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)C[C@H]1C ZINC000190685438 855499668 /nfs/dbraw/zinc/49/96/68/855499668.db2.gz YSDCQEKCPPOUHD-TZMCWYRMSA-N 0 0 384.879 3.597 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000185002434 856186098 /nfs/dbraw/zinc/18/60/98/856186098.db2.gz RJGXVSVYDYRKNE-FQEVSTJZSA-N 0 0 398.528 3.699 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NC[C@H](O)Cc1ccccc1 ZINC000104915348 856447499 /nfs/dbraw/zinc/44/74/99/856447499.db2.gz ZZUJRIUTDRONAN-CYBMUJFWSA-N 0 0 394.418 3.957 10 0 GHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000105675251 856942708 /nfs/dbraw/zinc/94/27/08/856942708.db2.gz JIYGQXZIPAMQRR-RUZDIDTESA-N 0 0 398.981 3.941 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@H]1c1ccco1 ZINC000172439801 857720861 /nfs/dbraw/zinc/72/08/61/857720861.db2.gz YAHKJUOCLXFCAA-IRXDYDNUSA-N 0 0 388.489 3.825 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000158736211 858074753 /nfs/dbraw/zinc/07/47/53/858074753.db2.gz XJVDRGNGZNNPJA-SFTDATJTSA-N 0 0 397.563 3.603 10 0 GHAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248166053 858973693 /nfs/dbraw/zinc/97/36/93/858973693.db2.gz SZPAQCHUDYAMOH-ALKREAHSSA-N 0 0 395.341 3.717 10 0 GHAERN O=C(N[C@H]1CCCc2sccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000136569652 859505109 /nfs/dbraw/zinc/50/51/09/859505109.db2.gz CBQMLZSJZKOXTQ-JKSUJKDBSA-N 0 0 385.537 3.990 10 0 GHAERN Cc1cccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)c1C ZINC000171654257 860427981 /nfs/dbraw/zinc/42/79/81/860427981.db2.gz YDAKOJNHAFBOOC-AEFFLSMTSA-N 0 0 383.517 3.867 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@H](Cn4nc(C)nc4C)C3)c(C)c2c1 ZINC000173790515 860443346 /nfs/dbraw/zinc/44/33/46/860443346.db2.gz CTCOXQLPTADPJH-INIZCTEOSA-N 0 0 398.532 3.979 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(Br)cc1F ZINC000103565501 881562473 /nfs/dbraw/zinc/56/24/73/881562473.db2.gz JWVHORCCWRMJQJ-UHFFFAOYSA-N 0 0 390.253 3.625 10 0 GHAERN Nc1nc(Cn2c3ccccc3nc2C(F)(F)F)nc(Nc2ccccc2)n1 ZINC000102701733 860824702 /nfs/dbraw/zinc/82/47/02/860824702.db2.gz BRYRTFDONTWDEH-UHFFFAOYSA-N 0 0 385.353 3.614 10 0 GHAERN COc1cccc(NC(=O)COc2ccc(C(=O)N3CCCC3(C)C)cc2)c1 ZINC000102919847 860902950 /nfs/dbraw/zinc/90/29/50/860902950.db2.gz ZQCLWMLCEIAFOA-UHFFFAOYSA-N 0 0 382.460 3.727 10 0 GHAERN O=C(NCCCn1cnc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940506 860910392 /nfs/dbraw/zinc/91/03/92/860910392.db2.gz XFGCOUDNSOTANB-SFHVURJKSA-N 0 0 392.459 3.702 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000329137820 861057403 /nfs/dbraw/zinc/05/74/03/861057403.db2.gz HTGIBKYXGXBMBO-IFXJQAMLSA-N 0 0 390.405 3.927 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cccc(C(=O)NC4CC4)c3)c21 ZINC000103233926 863916928 /nfs/dbraw/zinc/91/69/28/863916928.db2.gz QFHKBRJWKWSZRB-UHFFFAOYSA-N 0 0 376.460 3.733 10 0 GHAERN CC(=O)N[C@H](CC(=O)NCCc1c[nH]c2cccc(C)c12)c1c(F)cccc1F ZINC000103127592 863926526 /nfs/dbraw/zinc/92/65/26/863926526.db2.gz IIOYMMHOVBQXTG-LJQANCHMSA-N 0 0 399.441 3.681 10 0 GHAERN O=C(CN1C(=O)CCc2ccccc21)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151746512 864176920 /nfs/dbraw/zinc/17/69/20/864176920.db2.gz ZALIGTADQVHLNP-IBGZPJMESA-N 0 0 390.483 3.919 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000104459995 864326499 /nfs/dbraw/zinc/32/64/99/864326499.db2.gz ZZGRSOREEMTLER-UHFFFAOYSA-N 0 0 378.428 3.855 10 0 GHAERN Cc1ccc(I)c(C(=O)NCc2cc(F)ccc2F)c1 ZINC000104562611 864339470 /nfs/dbraw/zinc/33/94/70/864339470.db2.gz KMCIHPBAFAHHAR-UHFFFAOYSA-N 0 0 387.167 3.808 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2ccc(Br)cn2)c2ccc(F)cc2C1 ZINC000302195409 865760906 /nfs/dbraw/zinc/76/09/06/865760906.db2.gz OJDMVMDEZJMAJU-MRXNPFEDSA-N 0 0 378.245 3.889 10 0 GHAERN C[C@@]1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173493733 865924599 /nfs/dbraw/zinc/92/45/99/865924599.db2.gz AHXSUDKUDGNPMV-XMSQKQJNSA-N 0 0 397.544 3.792 10 0 GHAERN c1ncn(C[C@@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)n1 ZINC000108846838 866555078 /nfs/dbraw/zinc/55/50/78/866555078.db2.gz DNYISPOBHJSXEO-CQSZACIVSA-N 0 0 394.548 3.956 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000109668708 866600843 /nfs/dbraw/zinc/60/08/43/866600843.db2.gz BVMLRLGIQIQNQT-VQTJNVASSA-N 0 0 383.492 3.572 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3cc(Br)cs3)C2)c1 ZINC000111828555 866705917 /nfs/dbraw/zinc/70/59/17/866705917.db2.gz NYCREOHJZAEQGA-ZDUSSCGKSA-N 0 0 383.315 3.562 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](n2cncn2)C1 ZINC000173587142 866786634 /nfs/dbraw/zinc/78/66/34/866786634.db2.gz ISGBHXXQZAXVSE-UKRRQHHQSA-N 0 0 377.901 3.515 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@H](c4cnn(C)c4)C3)cc2)c(C)c1Cl ZINC000116114488 866789847 /nfs/dbraw/zinc/78/98/47/866789847.db2.gz FAHNAJTVBBGMLX-INIZCTEOSA-N 0 0 383.883 3.506 10 0 GHAERN O=C(CCc1nnc(-c2ccccn2)o1)NCCc1ccc(Cl)cc1Cl ZINC000169889937 882030177 /nfs/dbraw/zinc/03/01/77/882030177.db2.gz MVXHMRQLNCEXPH-UHFFFAOYSA-N 0 0 391.258 3.730 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000170632642 882043311 /nfs/dbraw/zinc/04/33/11/882043311.db2.gz SOESMZAVQQWQRC-MRXNPFEDSA-N 0 0 391.431 3.619 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC(n2cncn2)CC1 ZINC000171005617 882066605 /nfs/dbraw/zinc/06/66/05/882066605.db2.gz ZIJXVEIGQQYFNG-HNNXBMFYSA-N 0 0 377.901 3.515 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)N1CCC(Cc2ccccn2)CC1 ZINC000171616271 882116285 /nfs/dbraw/zinc/11/62/85/882116285.db2.gz ZBDVAZWKLJMUOL-UHFFFAOYSA-N 0 0 396.516 3.997 10 0 GHAERN O=C(NC1CCC(C(=O)N2CCC(Cc3ccccn3)CC2)CC1)C1CCCC1 ZINC000171616147 882116632 /nfs/dbraw/zinc/11/66/32/882116632.db2.gz XJVQQXBANVGUBR-UHFFFAOYSA-N 0 0 397.563 3.728 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)CC2)n1 ZINC000171803145 882161612 /nfs/dbraw/zinc/16/16/12/882161612.db2.gz VCQJBUHZBYDMHB-UYAOXDASSA-N 0 0 397.544 3.767 10 0 GHAERN Cc1cc(Cl)cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1O ZINC000172082292 882167185 /nfs/dbraw/zinc/16/71/85/882167185.db2.gz KAWWNNXVCWEASW-UHFFFAOYSA-N 0 0 378.881 3.906 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC(Cc2ccccn2)CC1 ZINC000171901566 882178328 /nfs/dbraw/zinc/17/83/28/882178328.db2.gz YNJBMACBRUFESZ-FQEVSTJZSA-N 0 0 378.520 3.572 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000172043728 882184144 /nfs/dbraw/zinc/18/41/44/882184144.db2.gz UBKDMNSWFBABQQ-VBKZILBWSA-N 0 0 376.412 3.713 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)N1CCc2sccc2C1 ZINC000172224725 882188361 /nfs/dbraw/zinc/18/83/61/882188361.db2.gz YEEDHPCHEPABDT-ZBFHGGJFSA-N 0 0 390.578 3.540 10 0 GHAERN Cc1ccc(N2CCCC2)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000172269107 882192328 /nfs/dbraw/zinc/19/23/28/882192328.db2.gz VCFZCUGYOJSEJK-UHFFFAOYSA-N 0 0 397.563 3.850 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000172639741 882282499 /nfs/dbraw/zinc/28/24/99/882282499.db2.gz KFTKXFOFRSTMRT-SFHVURJKSA-N 0 0 386.467 3.545 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1cc2ccccc2o1 ZINC000172698960 882287053 /nfs/dbraw/zinc/28/70/53/882287053.db2.gz YVVJLKUDMYFNNC-MAUKXSAKSA-N 0 0 377.444 3.700 10 0 GHAERN CCCn1ccc2cc(NC(=O)N3CCC(c4ccnn4CCO)CC3)ccc21 ZINC000172489405 882289159 /nfs/dbraw/zinc/28/91/59/882289159.db2.gz MRYWJUWYRIMHQW-UHFFFAOYSA-N 0 0 395.507 3.652 10 0 GHAERN O=C(Nc1ccccc1OCC1CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172588423 882296412 /nfs/dbraw/zinc/29/64/12/882296412.db2.gz TZLZUHWJPHLYHB-KRWDZBQOSA-N 0 0 391.475 3.930 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172597151 882298076 /nfs/dbraw/zinc/29/80/76/882298076.db2.gz CNQWHZHDOPLESU-PMACEKPBSA-N 0 0 380.463 3.612 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000172621203 882299469 /nfs/dbraw/zinc/29/94/69/882299469.db2.gz QALGOLOZYBCESN-YADHBBJMSA-N 0 0 375.472 3.636 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000172610753 882299854 /nfs/dbraw/zinc/29/98/54/882299854.db2.gz BVGHDCVQMBAWLX-GDBMZVCRSA-N 0 0 383.521 3.619 10 0 GHAERN Cc1ncc(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3)cc2)o1 ZINC000172734840 882304226 /nfs/dbraw/zinc/30/42/26/882304226.db2.gz XEZZFFCKOYKCCF-LJQANCHMSA-N 0 0 390.443 3.678 10 0 GHAERN O=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1ccc2ccccc2n1 ZINC000172867047 882314755 /nfs/dbraw/zinc/31/47/55/882314755.db2.gz SZHJGHBREWKQGT-UHFFFAOYSA-N 0 0 385.832 3.912 10 0 GHAERN O=S(=O)(CCCN1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000172932427 882325076 /nfs/dbraw/zinc/32/50/76/882325076.db2.gz BROQIWYSPSZFOR-UHFFFAOYSA-N 0 0 376.497 3.566 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)CN3CCCCCCC3=O)C2)n1 ZINC000173946421 869830576 /nfs/dbraw/zinc/83/05/76/869830576.db2.gz INBPHZMKOOXDHB-INIZCTEOSA-N 0 0 377.554 3.765 10 0 GHAERN C[NH+]1CCN([C@H]2CCCCN(C(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000173277092 882344331 /nfs/dbraw/zinc/34/43/31/882344331.db2.gz JPTFXLZAFCJSRH-HNNXBMFYSA-N 0 0 391.968 3.797 10 0 GHAERN Cn1cc(/C=C/C(=O)N2CCCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000173364432 882356114 /nfs/dbraw/zinc/35/61/14/882356114.db2.gz FGKIXSZXORPJMZ-MDZDMXLPSA-N 0 0 393.512 3.628 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)n1 ZINC000173964655 869976980 /nfs/dbraw/zinc/97/69/80/869976980.db2.gz LDRXXCKZTHZMMY-SJORKVTESA-N 0 0 389.565 3.621 10 0 GHAERN CCc1c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cnn1-c1ccccc1C ZINC000191650648 870385526 /nfs/dbraw/zinc/38/55/26/870385526.db2.gz AYDGLQTYOQXSDT-HTAPYJJXSA-N 0 0 382.508 3.902 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000047807529 870479430 /nfs/dbraw/zinc/47/94/30/870479430.db2.gz QRAJOEPLZQNXHG-JFIYKMOQSA-N 0 0 381.476 3.946 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)nc1 ZINC000173899415 882413463 /nfs/dbraw/zinc/41/34/63/882413463.db2.gz FCNRUHRMYIBVNS-UHFFFAOYSA-N 0 0 378.451 3.923 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1)NC1CC1 ZINC000174073645 882422122 /nfs/dbraw/zinc/42/21/22/882422122.db2.gz QYVKLKARUYGQNH-UHFFFAOYSA-N 0 0 396.466 3.826 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114807471 870626702 /nfs/dbraw/zinc/62/67/02/870626702.db2.gz HSTMJCYRTDWCGO-MRXNPFEDSA-N 0 0 384.505 3.791 10 0 GHAERN O=C(Nc1cccc(N2CCCNC2=O)c1)N1CC=C(c2cccs2)CC1 ZINC000174176685 882433371 /nfs/dbraw/zinc/43/33/71/882433371.db2.gz XJVNTIBYZWPGOU-UHFFFAOYSA-N 0 0 382.489 3.989 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCC(n2cncn2)CC1 ZINC000174157493 882431987 /nfs/dbraw/zinc/43/19/87/882431987.db2.gz HULOKQIXCMWTIW-UHFFFAOYSA-N 0 0 398.854 3.988 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000102969572 870870508 /nfs/dbraw/zinc/87/05/08/870870508.db2.gz NSHFAQDJDGNGHQ-YYWHXJBOSA-N 0 0 380.488 3.999 10 0 GHAERN COc1ccc2nc(C(=O)Oc3ccc(C(=O)N4CCCC4)cc3)ccc2c1 ZINC000103045422 871138742 /nfs/dbraw/zinc/13/87/42/871138742.db2.gz KNPXUPMUTKWDKX-UHFFFAOYSA-N 0 0 376.412 3.699 10 0 GHAERN Cn1c(Cc2csc(NC(=O)[C@@]3(C)CCCc4ccccc43)n2)n[nH]c1=S ZINC000103187770 871422259 /nfs/dbraw/zinc/42/22/59/871422259.db2.gz HJAIGDGHEKNDAA-IBGZPJMESA-N 0 0 399.545 3.758 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(Cc3ccc(O)cc3)CC3CC3)CC2)n1 ZINC000175027846 882517272 /nfs/dbraw/zinc/51/72/72/882517272.db2.gz GYLQMBSIADZESA-UHFFFAOYSA-N 0 0 394.519 3.686 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNC2(c3nccs3)CCCC2)cc1 ZINC000175007669 882514235 /nfs/dbraw/zinc/51/42/35/882514235.db2.gz SHUHDEYVRQITKW-SFHVURJKSA-N 0 0 385.533 3.874 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)C(=O)Nc3c(C)cccc3C(C)C)CC2)nc1 ZINC000175013366 882515434 /nfs/dbraw/zinc/51/54/34/882515434.db2.gz IVOZKPGJYUTOPC-UHFFFAOYSA-N 0 0 394.519 3.546 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000093385847 882524777 /nfs/dbraw/zinc/52/47/77/882524777.db2.gz KIQZETWSEJVNRW-UHFFFAOYSA-N 0 0 384.480 3.625 10 0 GHAERN NC(=O)C[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000175332729 882542779 /nfs/dbraw/zinc/54/27/79/882542779.db2.gz RSZNRPWFRBWSHZ-UGSOOPFHSA-N 0 0 391.924 3.788 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000175417007 882555201 /nfs/dbraw/zinc/55/52/01/882555201.db2.gz HYMSHPZPFVFAJL-HSZRJFAPSA-N 0 0 391.471 3.935 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000175588239 882600855 /nfs/dbraw/zinc/60/08/55/882600855.db2.gz HNHAUGCSZRTPGX-FQEVSTJZSA-N 0 0 398.482 3.836 10 0 GHAERN CCc1ccc(C(C)(C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000175800980 882632829 /nfs/dbraw/zinc/63/28/29/882632829.db2.gz XDFYTEMYLOPCIP-UHFFFAOYSA-N 0 0 379.504 3.548 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1nccs1 ZINC000175802643 882632523 /nfs/dbraw/zinc/63/25/23/882632523.db2.gz JOWNTCBQMZBNAI-WBVHZDCISA-N 0 0 398.532 3.920 10 0 GHAERN COc1ccc([C@H](NC(=O)/C=C/Sc2ccccc2)c2nccn2C)cc1 ZINC000016476430 873068062 /nfs/dbraw/zinc/06/80/62/873068062.db2.gz AMCZYVKYMAYQNT-IURSYISVSA-N 0 0 379.485 3.940 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000116569536 873567681 /nfs/dbraw/zinc/56/76/81/873567681.db2.gz KVTMUFJGXXUWFO-CVDCTZTESA-N 0 0 390.531 3.791 10 0 GHAERN COc1ccc(C(=O)CCCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116836413 873726597 /nfs/dbraw/zinc/72/65/97/873726597.db2.gz HNVASQSOYVKXEB-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC000102892324 873797312 /nfs/dbraw/zinc/79/73/12/873797312.db2.gz QGLBCCZDALSPGM-FQEVSTJZSA-N 0 0 383.879 3.665 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccccc3OC(F)F)CC2)n1 ZINC000116997678 873803534 /nfs/dbraw/zinc/80/35/34/873803534.db2.gz JMRDGVYIEKMSNC-UHFFFAOYSA-N 0 0 376.407 3.782 10 0 GHAERN O=C1C[C@H](c2cccc(F)c2)CN1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921189 873881894 /nfs/dbraw/zinc/88/18/94/873881894.db2.gz GTTLTENMZRWUNS-PKOBYXMFSA-N 0 0 382.435 3.665 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1OC ZINC000177382161 882790493 /nfs/dbraw/zinc/79/04/93/882790493.db2.gz TVTNUXOATYQZEN-UHFFFAOYSA-N 0 0 376.403 3.699 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CC[C@@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418411 882796022 /nfs/dbraw/zinc/79/60/22/882796022.db2.gz CAQDPOFURDESAZ-OAHLLOKOSA-N 0 0 389.521 3.523 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000177505880 882808705 /nfs/dbraw/zinc/80/87/05/882808705.db2.gz BSJWVFYQOBQBEY-KNQAVFIVSA-N 0 0 390.487 3.855 10 0 GHAERN CS(=O)(=O)Nc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1Cl ZINC000117857323 874226309 /nfs/dbraw/zinc/22/63/09/874226309.db2.gz PASRLTDPVXRRGA-UHFFFAOYSA-N 0 0 396.921 3.703 10 0 GHAERN COc1ccc([C@@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2nccn2C)cc1 ZINC000119277865 875044576 /nfs/dbraw/zinc/04/45/76/875044576.db2.gz KLMKGCASTLTCMO-HXUWFJFHSA-N 0 0 393.491 3.714 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000105545574 875325900 /nfs/dbraw/zinc/32/59/00/875325900.db2.gz BGXDGWHDBLGECS-FMIVXFBMSA-N 0 0 398.528 3.553 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3cccc4c3OCCO4)o2)cc1 ZINC000105706969 875369692 /nfs/dbraw/zinc/36/96/92/875369692.db2.gz APZFESAEIVEZLC-MHZLTWQESA-N 0 0 385.441 3.570 10 0 GHAERN CCC(CC)c1cc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)on1 ZINC000120128108 875594382 /nfs/dbraw/zinc/59/43/82/875594382.db2.gz WJRFSZZTKRADBS-CYBMUJFWSA-N 0 0 389.525 3.813 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCc3ccccc3[C@H]2C)c2ccccc2F)no1 ZINC000178891203 882962504 /nfs/dbraw/zinc/96/25/04/882962504.db2.gz CHKJVOIBFOWDQH-YJYMSZOUSA-N 0 0 380.423 3.935 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179498401 883003189 /nfs/dbraw/zinc/00/31/89/883003189.db2.gz BNXHVTKFZSWREP-UHFFFAOYSA-N 0 0 383.496 3.625 10 0 GHAERN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1CCC(n2cncn2)CC1 ZINC000179632821 883015879 /nfs/dbraw/zinc/01/58/79/883015879.db2.gz TXARWFIIFAZIOQ-UHFFFAOYSA-N 0 0 389.459 3.749 10 0 GHAERN COc1ccccc1-c1nnc(CN2CCN([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000179639956 883016753 /nfs/dbraw/zinc/01/67/53/883016753.db2.gz GWXMWTQBJFXHHN-MRXNPFEDSA-N 0 0 396.466 3.763 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccncc1 ZINC000120852177 876320129 /nfs/dbraw/zinc/32/01/29/876320129.db2.gz RTLYKEUARNFWKB-PXAZEXFGSA-N 0 0 392.286 3.870 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000120852718 876320305 /nfs/dbraw/zinc/32/03/05/876320305.db2.gz PHYXVIUCKMJPMX-SJCJKPOMSA-N 0 0 392.286 3.870 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180143909 883062376 /nfs/dbraw/zinc/06/23/76/883062376.db2.gz NTNPWTWMHWAQDR-LSDHHAIUSA-N 0 0 397.306 3.783 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000180865630 883105305 /nfs/dbraw/zinc/10/53/05/883105305.db2.gz IOTYCCJCYCQVHU-UHFFFAOYSA-N 0 0 378.819 3.704 10 0 GHAERN CC(C)Cn1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000180995662 883115433 /nfs/dbraw/zinc/11/54/33/883115433.db2.gz SIKVRPRCCUSFEE-SFHVURJKSA-N 0 0 377.492 3.949 10 0 GHAERN C[C@@H]1N(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCC12CCOCC2 ZINC000368814223 877654752 /nfs/dbraw/zinc/65/47/52/877654752.db2.gz PTFMWNYIXSDLIC-BLLLJJGKSA-N 0 0 394.924 3.561 10 0 GHAERN COc1cc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000122538204 879060034 /nfs/dbraw/zinc/06/00/34/879060034.db2.gz QEHYWEVUGCONKA-KRWDZBQOSA-N 0 0 389.839 3.628 10 0 GHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2cnc3cc(F)c(F)cc3n2)o1 ZINC000122659896 879243303 /nfs/dbraw/zinc/24/33/03/879243303.db2.gz LBSVXGRBYNNQEP-SFHVURJKSA-N 0 0 379.370 3.903 10 0 GHAERN O=C(Nc1ccc2ccccc2c1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000122935763 879740307 /nfs/dbraw/zinc/74/03/07/879740307.db2.gz NBYDRGWCYNLWQY-UHFFFAOYSA-N 0 0 379.485 3.625 10 0 GHAERN CC1(C)CCC[C@@H](C(=O)N2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C1 ZINC000285919947 879941453 /nfs/dbraw/zinc/94/14/53/879941453.db2.gz GOINOLUBILAROJ-ZIAGYGMSSA-N 0 0 375.494 3.914 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1 ZINC000181193732 883126481 /nfs/dbraw/zinc/12/64/81/883126481.db2.gz IMXCDLPSISOODV-UHFFFAOYSA-N 0 0 387.867 3.685 10 0 GHAERN CSCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000181779413 883183603 /nfs/dbraw/zinc/18/36/03/883183603.db2.gz JOHOJISWFMIWEE-HKUYNNGSSA-N 0 0 378.586 3.515 10 0 GHAERN CC(C)(C)OC(=O)NCCCCNC(=O)N1CC=C(c2cccs2)CC1 ZINC000182802867 883220070 /nfs/dbraw/zinc/22/00/70/883220070.db2.gz HAIWTKQTWAWHIQ-UHFFFAOYSA-N 0 0 379.526 3.852 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)CCC(=O)NC1=O ZINC000182737333 883233135 /nfs/dbraw/zinc/23/31/35/883233135.db2.gz WDESWXLXXFUKGT-NPMXOYFQSA-N 0 0 396.487 3.961 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)c1C ZINC000184013059 883298078 /nfs/dbraw/zinc/29/80/78/883298078.db2.gz HHHUQFIRLVHOTE-AWEZNQCLSA-N 0 0 376.844 3.917 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2C)c2ccc(F)cc2C1 ZINC000184011904 883298306 /nfs/dbraw/zinc/29/83/06/883298306.db2.gz GPGZAGUGHCBROI-BTYIYWSLSA-N 0 0 383.467 3.988 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(F)c(C)c2)c2ccc(F)cc2C1 ZINC000184025512 883299965 /nfs/dbraw/zinc/29/99/65/883299965.db2.gz VELCREDNUXZVOC-FQEVSTJZSA-N 0 0 387.430 3.566 10 0 GHAERN COc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1OC(C)C ZINC000184212898 883329928 /nfs/dbraw/zinc/32/99/28/883329928.db2.gz KXVRIEURSXEKKT-UHFFFAOYSA-N 0 0 386.496 3.703 10 0 GHAERN O=C(c1cccs1)c1ccccc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000184228583 883337323 /nfs/dbraw/zinc/33/73/23/883337323.db2.gz FAZPYHKNIXLYCO-UHFFFAOYSA-N 0 0 391.496 3.727 10 0 GHAERN COCCOc1ccc(S(=O)(=O)[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184626928 883368065 /nfs/dbraw/zinc/36/80/65/883368065.db2.gz IJVYLZGEXWWBJY-OAHLLOKOSA-N 0 0 387.457 3.902 10 0 GHAERN COCc1cccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184846976 883386381 /nfs/dbraw/zinc/38/63/81/883386381.db2.gz ZCIUIMCTVHGTLU-HXUWFJFHSA-N 0 0 385.439 3.587 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000184972094 883407875 /nfs/dbraw/zinc/40/78/75/883407875.db2.gz IXOUXMDROZQVKQ-ICSRJNTNSA-N 0 0 388.895 3.589 10 0 GHAERN CCc1ccc(CCC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185500982 883545945 /nfs/dbraw/zinc/54/59/45/883545945.db2.gz MFYRSLYMTULWFR-QFIPXVFZSA-N 0 0 382.479 3.930 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2csc(C(C)C)n2)c2ccc(F)cc2C1 ZINC000185505474 883547068 /nfs/dbraw/zinc/54/70/68/883547068.db2.gz VFHIJNVWLBLGIV-INIZCTEOSA-N 0 0 375.469 3.629 10 0 GHAERN COc1ccc([C@@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185514151 883549175 /nfs/dbraw/zinc/54/91/75/883549175.db2.gz JXNVYTKZTMHAFO-OYHNWAKOSA-N 0 0 398.478 3.938 10 0 GHAERN COc1cccc([C@@H](C)CC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185522335 883550483 /nfs/dbraw/zinc/55/04/83/883550483.db2.gz SEICONJFIBZLIX-NYHFZMIOSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2sccc2OC(F)F)c2ccc(F)cc2C1 ZINC000185544166 883553946 /nfs/dbraw/zinc/55/39/46/883553946.db2.gz IAZQWSVAETYAET-CQSZACIVSA-N 0 0 398.406 3.712 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2ccccc2OC(C)C)c2ccc(F)cc2C1 ZINC000185555615 883555784 /nfs/dbraw/zinc/55/57/84/883555784.db2.gz BVHAHJFZPCGBTO-OAQYLSRUSA-N 0 0 398.478 3.765 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185550158 883555919 /nfs/dbraw/zinc/55/59/19/883555919.db2.gz RJQVHIPKGGKTPO-SFHVURJKSA-N 0 0 378.806 3.842 10 0 GHAERN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559268 883557208 /nfs/dbraw/zinc/55/72/08/883557208.db2.gz HBHUEZZICXKEEG-LEWJYISDSA-N 0 0 398.478 3.901 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185568237 883558481 /nfs/dbraw/zinc/55/84/81/883558481.db2.gz LOWIPDPQRZRUBK-VXKWHMMOSA-N 0 0 380.463 3.929 10 0 GHAERN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)c(C)o1 ZINC000055807740 883572104 /nfs/dbraw/zinc/57/21/04/883572104.db2.gz FTPPMOWHDOJUPK-GOEBONIOSA-N 0 0 386.414 3.550 10 0 GHAERN COc1ccc(NC(=O)C[C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186064874 883608021 /nfs/dbraw/zinc/60/80/21/883608021.db2.gz IOZJIVKOMRRSFJ-INIZCTEOSA-N 0 0 376.460 3.659 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccn(-c4ccc(F)cc4F)n3)CC2)n1 ZINC000186146975 883615350 /nfs/dbraw/zinc/61/53/50/883615350.db2.gz HUMKEYFRSYXPTR-UHFFFAOYSA-N 0 0 388.443 3.935 10 0 GHAERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000186407717 883643195 /nfs/dbraw/zinc/64/31/95/883643195.db2.gz LOVVPDFGDZVESP-KRWDZBQOSA-N 0 0 377.410 3.857 10 0 GHAERN O=C(c1ncoc1-c1ccccc1Cl)N1CCCN(c2ccccn2)CC1 ZINC000186427864 883644004 /nfs/dbraw/zinc/64/40/04/883644004.db2.gz QIKZPSDZTKCMFB-UHFFFAOYSA-N 0 0 382.851 3.743 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2CCC(O)(c3c(F)cccc3F)CC2)o1 ZINC000186496919 883649398 /nfs/dbraw/zinc/64/93/98/883649398.db2.gz ZDAAXJMXMBVZMX-UHFFFAOYSA-N 0 0 399.441 3.731 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186552251 883662889 /nfs/dbraw/zinc/66/28/89/883662889.db2.gz YICLEAYPQSIWEC-ZDUSSCGKSA-N 0 0 388.493 3.599 10 0 GHAERN CN1Cc2cc(NC(=O)N(CCCO)[C@H]3CCc4ccccc43)ccc2NC1=O ZINC000186675489 883686049 /nfs/dbraw/zinc/68/60/49/883686049.db2.gz VBWHYXFSDCDLIP-FQEVSTJZSA-N 0 0 394.475 3.568 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000186822555 883708271 /nfs/dbraw/zinc/70/82/71/883708271.db2.gz MUZWMWSWKFYJPD-STQMWFEESA-N 0 0 378.450 3.556 10 0 GHAERN CCS[C@H](C)c1noc(C[S@@](=O)Cc2nc(-c3ccccc3F)no2)n1 ZINC000187080753 883753574 /nfs/dbraw/zinc/75/35/74/883753574.db2.gz BSFJRTGJMJTALP-AFNXNYLOSA-N 0 0 396.469 3.522 10 0 GHAERN COc1ccccc1[C@H](NC(=O)Cc1ccc(OC(C)C)cc1)c1noc(C)n1 ZINC000188007900 883820615 /nfs/dbraw/zinc/82/06/15/883820615.db2.gz SBWSTQABPWTXHW-NRFANRHFSA-N 0 0 395.459 3.622 10 0 GHAERN COCCOc1cccc(C=CC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000188096290 883822589 /nfs/dbraw/zinc/82/25/89/883822589.db2.gz MGNYUTBHGHSDFO-ZHACJKMWSA-N 0 0 393.483 3.847 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C)nc(C(F)(F)F)n3)C2)cc1 ZINC000188155719 883827122 /nfs/dbraw/zinc/82/71/22/883827122.db2.gz XBWLNOSFLKTODN-GXTWGEPZSA-N 0 0 379.382 3.831 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(COc3cccc(F)c3)no2)CC1 ZINC000188168775 883829044 /nfs/dbraw/zinc/82/90/44/883829044.db2.gz DZDHKACXSKXSIR-UHFFFAOYSA-N 0 0 399.397 3.947 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188476902 883853381 /nfs/dbraw/zinc/85/33/81/883853381.db2.gz JKWPXWSGMLINGQ-CEXWTWQISA-N 0 0 382.508 3.517 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000188613531 883866169 /nfs/dbraw/zinc/86/61/69/883866169.db2.gz FYMOILMHYLNBNS-IBGZPJMESA-N 0 0 379.460 3.876 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000188686970 883869822 /nfs/dbraw/zinc/86/98/22/883869822.db2.gz BFNUBHUGEUKFEG-HNNXBMFYSA-N 0 0 392.427 3.888 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000189676509 883984845 /nfs/dbraw/zinc/98/48/45/883984845.db2.gz XORKICDUSACTEN-OAHLLOKOSA-N 0 0 387.242 3.780 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C ZINC000189739921 884004399 /nfs/dbraw/zinc/00/43/99/884004399.db2.gz MWWFMHDMWQWNMQ-KOLCDFICSA-N 0 0 389.677 3.765 10 0 GHAERN O=C(c1cnc(-c2ccccn2)s1)N1CC2(CCOCC2)c2ccccc21 ZINC000189817015 884013010 /nfs/dbraw/zinc/01/30/10/884013010.db2.gz ILFAROBYGOZWTA-UHFFFAOYSA-N 0 0 377.469 3.914 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000189985036 884030299 /nfs/dbraw/zinc/03/02/99/884030299.db2.gz MPOCNYATGKJRFD-AVGNSLFASA-N 0 0 377.432 3.656 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000190133221 884047969 /nfs/dbraw/zinc/04/79/69/884047969.db2.gz ZRSLJRAIXLEQDT-CABCVRRESA-N 0 0 398.385 3.867 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000190130901 884048268 /nfs/dbraw/zinc/04/82/68/884048268.db2.gz ZZWIQJKHWHKQPB-MOPGFXCFSA-N 0 0 399.495 3.752 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1S(C)(=O)=O ZINC000190274620 884062643 /nfs/dbraw/zinc/06/26/43/884062643.db2.gz XLMWNUWKAJVTKX-OAHLLOKOSA-N 0 0 393.455 3.697 10 0 GHAERN Cn1cnc(-c2ccc(C(=O)N3CCC[C@H](c4cc(F)ccc4F)C3)cc2)n1 ZINC000190276943 884063358 /nfs/dbraw/zinc/06/33/58/884063358.db2.gz SXHWPKLVKAAINA-INIZCTEOSA-N 0 0 382.414 3.780 10 0 GHAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000190268984 884063411 /nfs/dbraw/zinc/06/34/11/884063411.db2.gz LTRGJYIYUHKZOF-INIZCTEOSA-N 0 0 393.455 3.529 10 0 GHAERN O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190369755 884072282 /nfs/dbraw/zinc/07/22/82/884072282.db2.gz GARMAYFGWPZKGT-UHFFFAOYSA-N 0 0 395.488 3.787 10 0 GHAERN COc1ccc(C(=O)CCCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190372725 884072866 /nfs/dbraw/zinc/07/28/66/884072866.db2.gz BCCMSUZQTJSVQS-UHFFFAOYSA-N 0 0 387.505 3.608 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CCC(Nc2nccs2)CC1 ZINC000190430248 884080431 /nfs/dbraw/zinc/08/04/31/884080431.db2.gz ZJNOWQYDTJDMSL-OWOJBTEDSA-N 0 0 393.925 3.622 10 0 GHAERN CSc1ccc(O[C@@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190434688 884080757 /nfs/dbraw/zinc/08/07/57/884080757.db2.gz GFPYHHYDURANOM-ZDUSSCGKSA-N 0 0 377.535 3.735 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1)c1ccco1 ZINC000190442258 884082059 /nfs/dbraw/zinc/08/20/59/884082059.db2.gz YYLUVJSFRVWLFX-UHFFFAOYSA-N 0 0 396.472 3.705 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCC(c3ccncc3)CC2)c2ccccc2F)no1 ZINC000190600713 884091267 /nfs/dbraw/zinc/09/12/67/884091267.db2.gz OGYFXBZLBUGLKW-LJQANCHMSA-N 0 0 395.438 3.591 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)Cc2cccc(Br)c2C)n1 ZINC000190578153 884098683 /nfs/dbraw/zinc/09/86/83/884098683.db2.gz LIDFFDIZGNRUPV-HNNXBMFYSA-N 0 0 395.322 3.665 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000190837478 884115880 /nfs/dbraw/zinc/11/58/80/884115880.db2.gz XFFIFSPDRWJAMX-UHFFFAOYSA-N 0 0 382.295 3.796 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000191010887 884145277 /nfs/dbraw/zinc/14/52/77/884145277.db2.gz KDCNXZPSAWVORN-YJBOKZPZSA-N 0 0 392.459 3.853 10 0 GHAERN CC(C)(C)OC(=O)N1CCOC[C@H]1c1noc(-c2cc3sccc3[nH]2)n1 ZINC000191823421 884213487 /nfs/dbraw/zinc/21/34/87/884213487.db2.gz SHGCDJBPMMOZOX-LBPRGKRZSA-N 0 0 376.438 3.588 10 0 GHAERN CC(C)c1c(NC(=O)Nc2ccc3c(c2)OCC(=O)N3)cnn1-c1ccccc1 ZINC000192205817 884258715 /nfs/dbraw/zinc/25/87/15/884258715.db2.gz JSLKJCFESJSGGK-UHFFFAOYSA-N 0 0 391.431 3.971 10 0 GHAERN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000192483096 884264176 /nfs/dbraw/zinc/26/41/76/884264176.db2.gz UZNXGUQEVGOUIK-CQSZACIVSA-N 0 0 388.265 3.861 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000192600718 884285205 /nfs/dbraw/zinc/28/52/05/884285205.db2.gz ITGGKTYCJQWJFC-ZDUSSCGKSA-N 0 0 387.390 3.742 10 0 GHAERN CCOc1ccc(Br)cc1NC(=O)NCc1cccc(OC)n1 ZINC000102801935 884466274 /nfs/dbraw/zinc/46/62/74/884466274.db2.gz FDCSFLHFIPEFTF-UHFFFAOYSA-N 0 0 380.242 3.573 10 0 GHAERN O=C(CCCCCC(=O)N1CCOc2ccccc21)N1CCOc2ccccc21 ZINC000105579485 884814265 /nfs/dbraw/zinc/81/42/65/884814265.db2.gz RVQOYONAFOSTNW-UHFFFAOYSA-N 0 0 394.471 3.788 10 0 GHAERN COc1ccc([C@H](CC(=O)N[C@H](c2ccccc2)C2CCC2)NC(C)=O)cc1 ZINC000104420250 885426181 /nfs/dbraw/zinc/42/61/81/885426181.db2.gz IBDAPMGTRKBGON-JTHBVZDNSA-N 0 0 380.488 3.920 10 0 GHAERN Cc1noc(C)c1CSCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101532026 885946628 /nfs/dbraw/zinc/94/66/28/885946628.db2.gz JSJDNIHAMZOLNT-UHFFFAOYSA-N 0 0 389.452 3.678 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCc3nc(-c4ccsc4)no3)c21 ZINC000103129377 885985043 /nfs/dbraw/zinc/98/50/43/885985043.db2.gz XHXZOIPVZZCKQQ-UHFFFAOYSA-N 0 0 380.473 3.879 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000105841096 886021401 /nfs/dbraw/zinc/02/14/01/886021401.db2.gz AUPWJMGYFHODSH-AWEZNQCLSA-N 0 0 384.867 3.556 10 0 GHAERN C[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000106306192 886031153 /nfs/dbraw/zinc/03/11/53/886031153.db2.gz WGFBOHPUSTWWAS-HNNXBMFYSA-N 0 0 392.927 3.795 10 0 GHAERN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000109162619 886106181 /nfs/dbraw/zinc/10/61/81/886106181.db2.gz MVRLTRZQVFUICP-HNNXBMFYSA-N 0 0 380.826 3.913 10 0 GHAERN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)C=Cc2cccc(C(F)(F)F)c2)C1 ZINC000110723291 886209046 /nfs/dbraw/zinc/20/90/46/886209046.db2.gz YUNPSOZQUCNYAS-SBDDDAINSA-N 0 0 396.438 3.542 10 0 GHAERN COc1cccc(-c2noc(CN(C)CC(=O)Nc3ccccc3SC)n2)c1 ZINC000031037650 886278034 /nfs/dbraw/zinc/27/80/34/886278034.db2.gz QQVSBGOOOBAFHR-UHFFFAOYSA-N 0 0 398.488 3.538 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)n1 ZINC000113201312 886286608 /nfs/dbraw/zinc/28/66/08/886286608.db2.gz SMXIFANURJINGG-GOSISDBHSA-N 0 0 397.544 3.848 10 0 GHAERN Cc1[nH]nc2ncc(C(=O)N3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cc12 ZINC000113218988 886287352 /nfs/dbraw/zinc/28/73/52/886287352.db2.gz MFRDBRRZLXBPAO-MRXNPFEDSA-N 0 0 386.459 3.676 10 0 GHAERN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3Oc4ccccc4[C@H]3C)n2)o1 ZINC000117585141 886387113 /nfs/dbraw/zinc/38/71/13/886387113.db2.gz HHSGOFRJDJYCHQ-ZMZPIMSZSA-N 0 0 397.456 3.542 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000117629190 886388178 /nfs/dbraw/zinc/38/81/78/886388178.db2.gz DZYAUSZCZSBKHL-AOMKIAJQSA-N 0 0 378.472 3.745 10 0 GHAERN O=C(NCc1ccccc1CN1CCCC1=O)N1CC=C(c2cccs2)CC1 ZINC000117957079 886396575 /nfs/dbraw/zinc/39/65/75/886396575.db2.gz ZNQUJGNFYWTXAO-UHFFFAOYSA-N 0 0 395.528 3.869 10 0 GHAERN O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000119001927 886420667 /nfs/dbraw/zinc/42/06/67/886420667.db2.gz ITNAUFNZUPNYLU-FQEVSTJZSA-N 0 0 376.416 3.954 10 0 GHAERN Cc1[nH]cc(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)c(=O)c1Br ZINC000119771839 886477261 /nfs/dbraw/zinc/47/72/61/886477261.db2.gz XTCBGHVKXMLBNF-TVQRCGJNSA-N 0 0 397.294 3.522 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000120235441 886509980 /nfs/dbraw/zinc/50/99/80/886509980.db2.gz NFWKZVIIIBUJJC-HUUCEWRRSA-N 0 0 390.455 3.505 10 0 GHAERN CC(C)C[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CCO1 ZINC000332795918 886544872 /nfs/dbraw/zinc/54/48/72/886544872.db2.gz SMHDEBXWIJUFJO-AJYBTWMASA-N 0 0 377.529 3.642 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(OC(F)F)c1 ZINC000124142172 886710072 /nfs/dbraw/zinc/71/00/72/886710072.db2.gz WPBQJUQDNJWMSI-CQSZACIVSA-N 0 0 392.450 3.747 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCCC[C@@H]2c2cccn2C)c2ccccc2F)no1 ZINC000124312096 886730007 /nfs/dbraw/zinc/73/00/07/886730007.db2.gz MECDQRQEZWFQLS-MOPGFXCFSA-N 0 0 397.454 3.882 10 0 GHAERN Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000042628282 886797091 /nfs/dbraw/zinc/79/70/91/886797091.db2.gz OVLZMUKOXVGSJA-LJQANCHMSA-N 0 0 385.552 3.745 10 0 GHAERN CCc1noc(CC)c1CNC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000125646984 886888626 /nfs/dbraw/zinc/88/86/26/886888626.db2.gz ISRITKYVUIAHLG-AWEZNQCLSA-N 0 0 387.480 3.516 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2O[C@H]2CCOC2)cc1 ZINC000127395440 887057224 /nfs/dbraw/zinc/05/72/24/887057224.db2.gz HMFHEDLEPBYKKO-PZJWPPBQSA-N 0 0 396.487 3.639 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000129219216 887271951 /nfs/dbraw/zinc/27/19/51/887271951.db2.gz ULXPNKCGDSBSMY-DLBZAZTESA-N 0 0 383.448 3.671 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000047174881 887277562 /nfs/dbraw/zinc/27/75/62/887277562.db2.gz ZNLFRFNAPKHDKV-INIZCTEOSA-N 0 0 383.498 3.575 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000047583041 887341299 /nfs/dbraw/zinc/34/12/99/887341299.db2.gz RMSZMEDEPMXJQH-AWEZNQCLSA-N 0 0 383.427 3.679 10 0 GHAERN O=C(NCc1ccccc1Cl)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000047616820 887352702 /nfs/dbraw/zinc/35/27/02/887352702.db2.gz WAENZWOFMZCPES-UHFFFAOYSA-N 0 0 377.916 3.711 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3csc(Cc4ccccc4F)n3)CCO2)o1 ZINC000134183489 887839595 /nfs/dbraw/zinc/83/95/95/887839595.db2.gz ULXVOTYFXIBPRC-GOSISDBHSA-N 0 0 386.448 3.988 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(C)n1C1CCCCC1 ZINC000134349935 887861884 /nfs/dbraw/zinc/86/18/84/887861884.db2.gz IIBSWNQQFCSOHK-NQIIRXRSSA-N 0 0 398.551 3.929 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)oc2c1c(C)ccc2C ZINC000134356125 887862669 /nfs/dbraw/zinc/86/26/69/887862669.db2.gz ZDQJMHQLZNRLTN-WMZOPIPTSA-N 0 0 381.476 3.677 10 0 GHAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1C ZINC000134643511 887894364 /nfs/dbraw/zinc/89/43/64/887894364.db2.gz VOTXNNJOHLWLCG-IBGZPJMESA-N 0 0 396.491 3.620 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(OC(F)F)c1 ZINC000134644154 887894651 /nfs/dbraw/zinc/89/46/51/887894651.db2.gz ORULPBUOLRSHKV-SUMWQHHRSA-N 0 0 377.391 3.607 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1cnc2ccccc2c1 ZINC000134649397 887895514 /nfs/dbraw/zinc/89/55/14/887895514.db2.gz UEXSTOCYMVWMSM-LJQANCHMSA-N 0 0 391.475 3.657 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000134757508 887909608 /nfs/dbraw/zinc/90/96/08/887909608.db2.gz UCVQSWIFQRAWKG-POAQFYNOSA-N 0 0 385.508 3.638 10 0 GHAERN Fc1cc(-c2noc(CN3CCC[C@H](c4nccs4)C3)n2)cc(F)c1F ZINC000135165888 887949906 /nfs/dbraw/zinc/94/99/06/887949906.db2.gz RYHQTVFKNHUDDB-JTQLQIEISA-N 0 0 380.395 3.990 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCCn1cnc2ccccc21 ZINC000054671441 888023246 /nfs/dbraw/zinc/02/32/46/888023246.db2.gz XHCUNBSRPAAJIS-UHFFFAOYSA-N 0 0 392.434 3.970 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000055377978 888152092 /nfs/dbraw/zinc/15/20/92/888152092.db2.gz OWMVRBINNBZFPG-VAWYXSNFSA-N 0 0 385.467 3.669 10 0 GHAERN CCCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1OC ZINC000135254110 888225577 /nfs/dbraw/zinc/22/55/77/888225577.db2.gz XSSRLWSKECDXKX-TYZQSYOASA-N 0 0 398.507 3.693 10 0 GHAERN COc1cccc([C@H](NC(=O)Nc2cccc3cccnc32)c2nccn2C)c1 ZINC000054009465 888261303 /nfs/dbraw/zinc/26/13/03/888261303.db2.gz LXVVRDIALPMAOJ-FQEVSTJZSA-N 0 0 387.443 3.888 10 0 GHAERN CN(CCCCNC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccccc1 ZINC000054167362 888267862 /nfs/dbraw/zinc/26/78/62/888267862.db2.gz RTWUFTPLVZERTA-IBGZPJMESA-N 0 0 383.517 3.522 10 0 GHAERN COc1c(F)cc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)cc1F ZINC000055948591 888341353 /nfs/dbraw/zinc/34/13/53/888341353.db2.gz RFXKXDRYEQPAAY-LLVKDONJSA-N 0 0 380.416 3.526 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1)c1ccsc1 ZINC000056469319 888362377 /nfs/dbraw/zinc/36/23/77/888362377.db2.gz CDYHXKXHTGQNLJ-UXHICEINSA-N 0 0 398.528 3.637 10 0 GHAERN CSc1ccc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000056944104 888383949 /nfs/dbraw/zinc/38/39/49/888383949.db2.gz QPHAJIAARVCMQU-MRXNPFEDSA-N 0 0 381.505 3.540 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000193799249 888525902 /nfs/dbraw/zinc/52/59/02/888525902.db2.gz YWPBPIPFRZUGAX-QUCCMNQESA-N 0 0 393.487 3.503 10 0 GHAERN CC(C)CCOC1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000193887008 888534184 /nfs/dbraw/zinc/53/41/84/888534184.db2.gz BMIQLIGMPUTQOM-SFHVURJKSA-N 0 0 376.522 3.543 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)CC(=O)N4C)C2)cc1 ZINC000194137669 888559933 /nfs/dbraw/zinc/55/99/33/888559933.db2.gz SMNNLKPXTHNHAI-WMLDXEAASA-N 0 0 379.460 3.624 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000194318701 888576014 /nfs/dbraw/zinc/57/60/14/888576014.db2.gz RUDONUBCEDTUFV-AEFFLSMTSA-N 0 0 387.524 3.655 10 0 GHAERN O=C(CN[C@H](c1cccs1)c1ncc[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000195051926 888639132 /nfs/dbraw/zinc/63/91/32/888639132.db2.gz XPIZQBVZUYGAGL-OAQYLSRUSA-N 0 0 394.544 3.632 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000195058441 888640789 /nfs/dbraw/zinc/64/07/89/888640789.db2.gz BLBGBJDWMFWSIE-UHFFFAOYSA-N 0 0 383.467 3.642 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000245543448 888880211 /nfs/dbraw/zinc/88/02/11/888880211.db2.gz KRTCKOCDDVZIFX-DINDLPBHSA-N 0 0 381.398 3.804 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245556806 888933338 /nfs/dbraw/zinc/93/33/38/888933338.db2.gz SEHBBIJZTSNREJ-LKUPVBHCSA-N 0 0 393.487 3.580 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245562659 888955302 /nfs/dbraw/zinc/95/53/02/888955302.db2.gz VPZKAZQEEXOMIZ-ZTNFWEORSA-N 0 0 396.512 3.774 10 0 GHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000245637389 889124500 /nfs/dbraw/zinc/12/45/00/889124500.db2.gz VZYFQOGQKUXQHL-KURKYZTESA-N 0 0 381.476 3.957 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245769912 889682271 /nfs/dbraw/zinc/68/22/71/889682271.db2.gz GJPJRORYSRYGLF-YMRXKLBXSA-N 0 0 378.856 3.580 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000245984615 890129052 /nfs/dbraw/zinc/12/90/52/890129052.db2.gz JPZMRCTUWUNZBL-YUMYIRISSA-N 0 0 389.499 3.649 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000246089487 890338592 /nfs/dbraw/zinc/33/85/92/890338592.db2.gz IMHHKRTTYYRHTP-JJRVBVJISA-N 0 0 392.500 3.922 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246131298 890444545 /nfs/dbraw/zinc/44/45/45/890444545.db2.gz XWQWQBZDRGBJJS-IAGOWNOFSA-N 0 0 381.524 3.943 10 0 GHAERN Cc1cc(CSc2ncccc2C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)no1 ZINC000246198977 890671390 /nfs/dbraw/zinc/67/13/90/890671390.db2.gz APKFBTNJROKLSF-VAMGGRTRSA-N 0 0 391.496 3.986 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000246251566 890846224 /nfs/dbraw/zinc/84/62/24/890846224.db2.gz VLMDJNRFUCNLPQ-BHDDXSALSA-N 0 0 389.499 3.649 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CCC[C@H](c2nccs2)C1 ZINC000067048846 891140628 /nfs/dbraw/zinc/14/06/28/891140628.db2.gz IFUJKBWFLMTASY-UFFNRZRYSA-N 0 0 378.910 3.925 10 0 GHAERN O=C(NC1CCC(C(=O)N2CCC[C@@H](c3nccs3)C2)CC1)C1CCCC1 ZINC000067048309 891140708 /nfs/dbraw/zinc/14/07/08/891140708.db2.gz CGDFYIMHLGWSGM-LXPRWKDFSA-N 0 0 389.565 3.714 10 0 GHAERN C[C@@]1(C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CC1(Cl)Cl ZINC000070932010 891222589 /nfs/dbraw/zinc/22/25/89/891222589.db2.gz FKGGOXMVYQHZOJ-SFHVURJKSA-N 0 0 390.270 3.807 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000246537421 891284345 /nfs/dbraw/zinc/28/43/45/891284345.db2.gz JOIGSLBKGAOVRT-JZXOWHBKSA-N 0 0 388.508 3.705 10 0 GHAERN C[C@H](CCc1cccn1C)NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246589908 891290109 /nfs/dbraw/zinc/29/01/09/891290109.db2.gz UXUZEBKZRRYKQS-BPQIPLTHSA-N 0 0 375.538 3.705 10 0 GHAERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246923095 891325107 /nfs/dbraw/zinc/32/51/07/891325107.db2.gz RVYVBYORNXEPHD-QXAKKESOSA-N 0 0 395.507 3.995 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247020629 891333155 /nfs/dbraw/zinc/33/31/55/891333155.db2.gz SNEIHOXILZQIFM-HYVNUMGLSA-N 0 0 385.489 3.684 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)N(C)Cc3ccc([S@@](C)=O)cc3)C2)cc1 ZINC000247127387 891348216 /nfs/dbraw/zinc/34/82/16/891348216.db2.gz SALIVIKOFOSGIC-HMILPKGGSA-N 0 0 399.560 3.543 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c(C(F)(F)F)c1 ZINC000247300645 891362842 /nfs/dbraw/zinc/36/28/42/891362842.db2.gz HUOJBVQJSQAINW-BJJXKVORSA-N 0 0 385.386 3.743 10 0 GHAERN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247562873 891385629 /nfs/dbraw/zinc/38/56/29/891385629.db2.gz RUMHSHWRFIFEGP-QXAKKESOSA-N 0 0 385.439 3.770 10 0 GHAERN C[C@H](O)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 ZINC000247651822 891391115 /nfs/dbraw/zinc/39/11/15/891391115.db2.gz WLOXYENVHQGGGR-KNXBSLHKSA-N 0 0 390.487 3.664 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccccc3C[S@@](C)=O)C2)cc1 ZINC000248395208 891422330 /nfs/dbraw/zinc/42/23/30/891422330.db2.gz IZIFVQHUGDGCNU-HRSKYJMSSA-N 0 0 386.517 3.984 10 0 GHAERN Cc1c(-c2cc(CN3C[C@H](c4ccccc4Cl)OC[C@H]3C)on2)cnn1C ZINC000248644009 891450454 /nfs/dbraw/zinc/45/04/54/891450454.db2.gz ZZHCBLVXOVQRDL-ZUOKHONESA-N 0 0 386.883 3.999 10 0 GHAERN C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1nccs1 ZINC000248576656 891465111 /nfs/dbraw/zinc/46/51/11/891465111.db2.gz DRUDDBQXBJGJRO-ZTFGCOKTSA-N 0 0 381.505 3.671 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@H](C)C[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248753111 891466548 /nfs/dbraw/zinc/46/65/48/891466548.db2.gz UNCZUPIRQVYEKB-MDOVXXIYSA-N 0 0 375.488 3.697 10 0 GHAERN Cc1cc(C)c(N2CC[C@H](N3CCC[C@@H](c4nncn4C(C)C)C3)C2=O)c(C)c1 ZINC000249045315 891489114 /nfs/dbraw/zinc/48/91/14/891489114.db2.gz HHEAWPJGCWRZQS-UXHICEINSA-N 0 0 395.551 3.769 10 0 GHAERN Cc1cc(C)c(N2CC[C@@H](N3CCC[C@@H](c4nncn4C4CC4)C3)C2=O)c(C)c1 ZINC000249070963 891492286 /nfs/dbraw/zinc/49/22/86/891492286.db2.gz KZEHYFKCQHYXLE-UYAOXDASSA-N 0 0 393.535 3.523 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000249089987 891493833 /nfs/dbraw/zinc/49/38/33/891493833.db2.gz GKCHMXHNKMVLJG-DENIHFKCSA-N 0 0 392.547 3.665 10 0 GHAERN Brc1ccccc1N1CC[C@@H](N[C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000249133314 891498720 /nfs/dbraw/zinc/49/87/20/891498720.db2.gz VCWHIYGWWODCDN-CRAIPNDOSA-N 0 0 398.308 3.525 10 0 GHAERN CC[C@H]1CC[C@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000249269320 891503026 /nfs/dbraw/zinc/50/30/26/891503026.db2.gz JUKFGRSZKPAFPS-JCNLHEQBSA-N 0 0 386.492 3.809 10 0 GHAERN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000249399727 891504497 /nfs/dbraw/zinc/50/44/97/891504497.db2.gz SLQGNCPAOPMNNL-VMDGZTHMSA-N 0 0 385.847 3.930 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1Cc2ccccc2C2(CC2)C1 ZINC000251644807 891634451 /nfs/dbraw/zinc/63/44/51/891634451.db2.gz IGSAVGBHCPRSNV-XMSQKQJNSA-N 0 0 390.531 3.549 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000282067012 892604488 /nfs/dbraw/zinc/60/44/88/892604488.db2.gz BMMZZYZDGLQGGY-QRVBRYPASA-N 0 0 376.472 3.525 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(F)ccc1OCCOC ZINC000105033519 898181562 /nfs/dbraw/zinc/18/15/62/898181562.db2.gz FHBSRYFSLAZSNO-UHFFFAOYSA-N 0 0 375.444 3.733 10 0 GHAERN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)[C@H]3CCc4ccccc43)c12 ZINC000333290391 901978317 /nfs/dbraw/zinc/97/83/17/901978317.db2.gz AIDQDYBZAPHIQV-MJGOQNOKSA-N 0 0 390.487 3.896 10 0 GHAERN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)C3CCCCC3)c2)CCS1 ZINC000333651645 902247320 /nfs/dbraw/zinc/24/73/20/902247320.db2.gz KMNKDBCHFXCKLM-AWEZNQCLSA-N 0 0 382.551 3.762 10 0 GHAERN Cc1cc2c(Br)ccnc2cc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000333656083 902249724 /nfs/dbraw/zinc/24/97/24/902249724.db2.gz FXHZIDNVOWLFCY-ZDUSSCGKSA-N 0 0 397.338 3.709 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000177349618 906113706 /nfs/dbraw/zinc/11/37/06/906113706.db2.gz OJLGSRRSRAQCMR-WMLDXEAASA-N 0 0 378.432 3.544 10 0 GHAERN O=C(Cc1cc(Cl)ccc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181390300 906989632 /nfs/dbraw/zinc/98/96/32/906989632.db2.gz OUUORBOYFILDFD-ZDUSSCGKSA-N 0 0 383.677 3.517 10 0 GHAERN O=C(CCc1cc(Cl)ccc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181396446 906991607 /nfs/dbraw/zinc/99/16/07/906991607.db2.gz PERDGKXIIXRVJX-AWEZNQCLSA-N 0 0 397.704 3.907 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184140084 907524255 /nfs/dbraw/zinc/52/42/55/907524255.db2.gz WSZJWZVEAUFAHI-GOSISDBHSA-N 0 0 378.436 3.538 10 0 GHAERN CCOc1ccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000186185216 907888487 /nfs/dbraw/zinc/88/84/87/907888487.db2.gz AOZORCNYBQQSEB-INIZCTEOSA-N 0 0 375.494 3.906 10 0 GHAERN O=C(Nc1ccc(Cl)c(Br)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000186512134 907935567 /nfs/dbraw/zinc/93/55/67/907935567.db2.gz JSOMJRVBTKBYAL-GFCCVEGCSA-N 0 0 384.665 3.980 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(N3CCNC3=O)ccc2Cl)cs1 ZINC000187007472 908019716 /nfs/dbraw/zinc/01/97/16/908019716.db2.gz TZGQZWGNFWTECM-INIZCTEOSA-N 0 0 390.896 3.612 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(CS(C)(=O)=O)c2C)cs1 ZINC000188959675 908266893 /nfs/dbraw/zinc/26/68/93/908266893.db2.gz KYRJKQJOGDVCQC-KRWDZBQOSA-N 0 0 393.534 3.674 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)cs1 ZINC000189094941 908283168 /nfs/dbraw/zinc/28/31/68/908283168.db2.gz XXESKKJVFUDMBC-INIZCTEOSA-N 0 0 376.457 3.661 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000190057810 908414816 /nfs/dbraw/zinc/41/48/16/908414816.db2.gz AYHRLTLSGQEUHE-DGCLKSJQSA-N 0 0 387.383 3.592 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCSc2ccccc2Cl)C1 ZINC000190059772 908415683 /nfs/dbraw/zinc/41/56/83/908415683.db2.gz QVYOKECGUYQEHC-OCCSQVGLSA-N 0 0 381.885 3.502 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000190062810 908415984 /nfs/dbraw/zinc/41/59/84/908415984.db2.gz SIIUTOJRKAOGTN-OALUTQOASA-N 0 0 399.491 3.528 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000190067479 908417595 /nfs/dbraw/zinc/41/75/95/908417595.db2.gz JVGLBCSMOUIEFQ-OCCSQVGLSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 ZINC000190084006 908421956 /nfs/dbraw/zinc/42/19/56/908421956.db2.gz RHRYXCNYNAZWLF-MFKMUULPSA-N 0 0 395.246 3.768 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1 ZINC000190125375 908432733 /nfs/dbraw/zinc/43/27/33/908432733.db2.gz LXLLDECZZFTZON-SJORKVTESA-N 0 0 397.435 3.644 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000190398796 908479760 /nfs/dbraw/zinc/47/97/60/908479760.db2.gz MSQVYZIXYAHTLQ-HNNXBMFYSA-N 0 0 378.885 3.590 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)c(Cl)s2)C1 ZINC000191546131 908640371 /nfs/dbraw/zinc/64/03/71/908640371.db2.gz LEWYCKPRNHBTFH-LDYMZIIASA-N 0 0 392.706 3.817 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CCO2)n1 ZINC000194352077 908937743 /nfs/dbraw/zinc/93/77/43/908937743.db2.gz HQKJMVCYJKBUIX-HZPDHXFCSA-N 0 0 391.468 3.587 10 0 GHAERN Cc1sc(-c2ccco2)nc1C(=O)N1CCC2(C[C@@H]2C(=O)N(C)C2CC2)CC1 ZINC000367633250 922241544 /nfs/dbraw/zinc/24/15/44/922241544.db2.gz UXCFTHOISGTPFT-OAHLLOKOSA-N 0 0 399.516 3.575 10 0 GHAERN Cc1nc(CN(C)[C@@H]2CCC[N@H+](Cc3cc(Br)cs3)CC2)no1 ZINC000370224816 923970956 /nfs/dbraw/zinc/97/09/56/923970956.db2.gz MVQMHPJUUSXYSI-CQSZACIVSA-N 0 0 399.358 3.689 10 0 GHAERN CC[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000185253035 1014577382 /nfs/dbraw/zinc/57/73/82/1014577382.db2.gz WIWVTTVKQHZPIP-JXFKEZNVSA-N 0 0 375.488 3.841 10 0 GHAERN O=C(Nn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O)c1ccccc1 ZINC000090624338 203830646 /nfs/dbraw/zinc/83/06/46/203830646.db2.gz FMLFHEWOAKHMLI-UHFFFAOYSA-N 0 0 395.418 3.525 10 0 GHAERN COCCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1ccccc1 ZINC000006858039 204216757 /nfs/dbraw/zinc/21/67/57/204216757.db2.gz ZDCWZXASZOWFIR-UHFFFAOYSA-N 0 0 398.846 3.906 10 0 GHAERN Cc1ccc(-c2nc3s/c(=C\c4ccc(Cl)c(Cl)c4)c(=O)n3n2)cc1 ZINC000006503642 204181176 /nfs/dbraw/zinc/18/11/76/204181176.db2.gz XMHJSJPDBRQNQR-DHDCSXOGSA-N 0 0 388.279 3.981 10 0 GHAERN COC(=O)C(=CNc1ccc(OC)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000008681038 204283452 /nfs/dbraw/zinc/28/34/52/204283452.db2.gz NMALAMXPTFQFGK-YBEGLDIGSA-N 0 0 395.242 3.858 10 0 GHAERN O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ccccc1N1CCCC1 ZINC000011667799 204350043 /nfs/dbraw/zinc/35/00/43/204350043.db2.gz GUAYXJYEJCGUSF-IBGZPJMESA-N 0 0 387.487 3.675 10 0 GHAERN Cc1noc(C)c1CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012306003 204393664 /nfs/dbraw/zinc/39/36/64/204393664.db2.gz RGICJBRRJLYLTK-HSZRJFAPSA-N 0 0 386.455 3.885 10 0 GHAERN CCCC[C@@](C)(O)C/C=C/[C@@H]1[C@@H](CCCCCCC(=O)OC)C(=O)C[C@@H]1O ZINC000015848260 204579885 /nfs/dbraw/zinc/57/98/85/204579885.db2.gz OJLOPKGSLYJEMD-MFKMULPRSA-N 0 0 382.541 3.954 10 0 GHAERN CCNS(=O)(=O)c1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000038002806 204776583 /nfs/dbraw/zinc/77/65/83/204776583.db2.gz UYAJRYMPOWJFCY-SNVBAGLBSA-N 0 0 389.340 3.982 10 0 GHAERN O=S(=O)(Nc1c(F)cc(F)cc1Br)c1ccnc(Cl)c1 ZINC000038008626 204778650 /nfs/dbraw/zinc/77/86/50/204778650.db2.gz GJFSNCQYVUBEAW-UHFFFAOYSA-N 0 0 383.601 3.577 10 0 GHAERN O[C@H](COCc1ccccc1)CN(Cc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036099760 205005141 /nfs/dbraw/zinc/00/51/41/205005141.db2.gz YVGWDRLFRKYCNI-SFTDATJTSA-N 0 0 391.458 3.524 10 0 GHAERN CC[C@H](C)[C@H](NC(=O)c1cccc(OC)c1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000038806936 205039439 /nfs/dbraw/zinc/03/94/39/205039439.db2.gz AICWBQYDPMKQDY-BTYIYWSLSA-N 0 0 380.488 3.967 10 0 GHAERN COCCNC(=O)Cn1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000037396925 205026035 /nfs/dbraw/zinc/02/60/35/205026035.db2.gz HDILSQQPUFFXJP-UHFFFAOYSA-N 0 0 392.286 3.697 10 0 GHAERN Nc1c(Nc2nccs2)ncnc1Nc1ccc(Br)cc1F ZINC000040780905 205073149 /nfs/dbraw/zinc/07/31/49/205073149.db2.gz VOOIQGCOMFEJFH-UHFFFAOYSA-N 0 0 381.234 3.904 10 0 GHAERN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCCc2ccccn2)n1 ZINC000065136002 205211651 /nfs/dbraw/zinc/21/16/51/205211651.db2.gz IJFXMQUDTYPKLW-UHFFFAOYSA-N 0 0 376.460 3.505 10 0 GHAERN CCn1cc(CCN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c2cccnc21 ZINC000065164664 205214661 /nfs/dbraw/zinc/21/46/61/205214661.db2.gz ZFYZLYJXNDAJMC-UHFFFAOYSA-N 0 0 394.494 3.504 10 0 GHAERN COc1ccc(NC(=O)c2cc3c(n2C)CCN(Cc2ccccc2)C3)cc1 ZINC000065210822 205219434 /nfs/dbraw/zinc/21/94/34/205219434.db2.gz NUNAXRTVEMDZHP-UHFFFAOYSA-N 0 0 375.472 3.844 10 0 GHAERN CNc1cc(C(=O)N2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)ccn1 ZINC000067654620 205253276 /nfs/dbraw/zinc/25/32/76/205253276.db2.gz PEUSGHSCXIAXFL-SFHVURJKSA-N 0 0 375.476 3.842 10 0 GHAERN COC(=O)[C@@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1 ZINC000084654500 205397859 /nfs/dbraw/zinc/39/78/59/205397859.db2.gz GNHHCBSBCDGWND-QGZVFWFLSA-N 0 0 379.865 3.599 10 0 GHAERN COC(=O)c1sc(Br)cc1NC(=O)C(Cl)(Cl)Cl ZINC000255190351 206150779 /nfs/dbraw/zinc/15/07/79/206150779.db2.gz WRQGNKLDYBATQM-UHFFFAOYSA-N 0 0 381.462 3.606 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000095091785 535572208 /nfs/dbraw/zinc/57/22/08/535572208.db2.gz FFMPQSYDQQXZEU-OAHLLOKOSA-N 0 0 386.496 3.864 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 ZINC000065266671 570769490 /nfs/dbraw/zinc/76/94/90/570769490.db2.gz RTYGUJSAZJTXQG-YEWWUXTCSA-N 0 0 387.842 3.904 10 0 GHAERN O=C(NC[C@@H]1CCCO1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260959 570866152 /nfs/dbraw/zinc/86/61/52/570866152.db2.gz XEQJAVXAAOEVEH-IBGZPJMESA-N 0 0 392.434 3.935 10 0 GHAERN COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1NC(=O)c1ccccc1 ZINC000015729904 570902968 /nfs/dbraw/zinc/90/29/68/570902968.db2.gz YMKNALRNYFQEMG-UHFFFAOYSA-N 0 0 392.459 3.790 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365932352 570945836 /nfs/dbraw/zinc/94/58/36/570945836.db2.gz SQJMGPYBDMBTER-AWEZNQCLSA-N 0 0 393.491 3.533 10 0 GHAERN C[C@@H](NC(=O)N1CCCC2(C1)CCCCCC2)c1nnnn1-c1ccccc1 ZINC000176823616 837548854 /nfs/dbraw/zinc/54/88/54/837548854.db2.gz MVSJOLNFVUGTLW-QGZVFWFLSA-N 0 0 382.512 3.869 10 0 GHAERN C[C@H](NC(=O)N1CCCC2(C1)CCCCCC2)c1nnnn1-c1ccccc1 ZINC000176823598 837549034 /nfs/dbraw/zinc/54/90/34/837549034.db2.gz MVSJOLNFVUGTLW-KRWDZBQOSA-N 0 0 382.512 3.869 10 0 GHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000286204472 834344080 /nfs/dbraw/zinc/34/40/80/834344080.db2.gz JJAYGVCGFCXEMC-ZCNNSNEGSA-N 0 0 379.456 3.896 10 0 GHAERN C[C@@H](NC(=O)NC1CCC(C(F)(F)F)CC1)c1ccc(-n2ccnn2)cc1 ZINC000121710103 834417299 /nfs/dbraw/zinc/41/72/99/834417299.db2.gz KXTVGEWJOXQBNR-LRVUVFPRSA-N 0 0 381.402 3.749 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2c(C)cc(N(C)C)cc2C)c2ccccc2)[nH]1 ZINC000156941296 834658117 /nfs/dbraw/zinc/65/81/17/834658117.db2.gz FJHITBTXFFIDHV-IBGZPJMESA-N 0 0 378.480 3.707 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccs1 ZINC000156992890 834679194 /nfs/dbraw/zinc/67/91/94/834679194.db2.gz QWTWRWIAPJIMPB-SFHVURJKSA-N 0 0 390.553 3.613 10 0 GHAERN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000003044815 834725250 /nfs/dbraw/zinc/72/52/50/834725250.db2.gz SZNSUHCLFMXMLT-QGZVFWFLSA-N 0 0 397.434 3.867 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)n1 ZINC000111833301 834999012 /nfs/dbraw/zinc/99/90/12/834999012.db2.gz MFAIGBPWFIWVPN-OXJNMPFZSA-N 0 0 397.523 3.698 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C12CCCC2 ZINC000246899083 835123856 /nfs/dbraw/zinc/12/38/56/835123856.db2.gz GXZJBBPDAWGDKS-JEBQAFNWSA-N 0 0 388.533 3.929 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000175866988 835207251 /nfs/dbraw/zinc/20/72/51/835207251.db2.gz GBNUHHJYDAXIIZ-HUUCEWRRSA-N 0 0 382.493 3.578 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000175867020 835207282 /nfs/dbraw/zinc/20/72/82/835207282.db2.gz GBNUHHJYDAXIIZ-CABCVRRESA-N 0 0 382.493 3.578 10 0 GHAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000158117522 835232953 /nfs/dbraw/zinc/23/29/53/835232953.db2.gz YWPOCMIBNVIZHL-UHFFFAOYSA-N 0 0 375.904 3.626 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O)N1CCC2(CCC2)C1 ZINC000158572359 835440864 /nfs/dbraw/zinc/44/08/64/835440864.db2.gz DTERNAHSKSFSQO-UHFFFAOYSA-N 0 0 391.496 3.691 10 0 GHAERN Cc1csc(C2CCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)CC2)n1 ZINC000158632821 835474978 /nfs/dbraw/zinc/47/49/78/835474978.db2.gz WRGREJQOYCVZEP-UHFFFAOYSA-N 0 0 381.542 3.708 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3csc(-c4nc[nH]n4)n3)C2)n1 ZINC000329643195 835512705 /nfs/dbraw/zinc/51/27/05/835512705.db2.gz IBRUPDZMUQVJJL-NSHDSACASA-N 0 0 388.522 3.528 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000158968575 835665879 /nfs/dbraw/zinc/66/58/79/835665879.db2.gz IBAXVNPMLDCAAB-IEBWSBKVSA-N 0 0 390.474 3.710 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)CSc2nccn2C(C)(C)C)no1 ZINC000329683543 835675541 /nfs/dbraw/zinc/67/55/41/835675541.db2.gz XTSZICHXPPQMRX-CYBMUJFWSA-N 0 0 377.514 3.600 10 0 GHAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000101976899 835754018 /nfs/dbraw/zinc/75/40/18/835754018.db2.gz UASWFYQHZKKCSX-YLJYHZDGSA-N 0 0 383.492 3.563 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000246981486 835944137 /nfs/dbraw/zinc/94/41/37/835944137.db2.gz IWGFIAQZEQXRCA-TUKIKUTGSA-N 0 0 378.398 3.614 10 0 GHAERN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246069617 835966630 /nfs/dbraw/zinc/96/66/30/835966630.db2.gz ZWLAMLXNDXQSIQ-IXDOHACOSA-N 0 0 391.585 3.915 10 0 GHAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246999308 836085032 /nfs/dbraw/zinc/08/50/32/836085032.db2.gz KOBVROCNZSJOOP-XHDPSFHLSA-N 0 0 397.846 3.675 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)n1 ZINC000113205333 836610415 /nfs/dbraw/zinc/61/04/15/836610415.db2.gz HERRIGSAFOBJBT-GFCCVEGCSA-N 0 0 387.534 3.582 10 0 GHAERN C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)n1ccc2ccccc2c1=O ZINC000332841892 836737449 /nfs/dbraw/zinc/73/74/49/836737449.db2.gz LRKQCYPGKHRYAE-HNAYVOBHSA-N 0 0 376.456 3.981 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)C2)nn1 ZINC000332853931 836767656 /nfs/dbraw/zinc/76/76/56/836767656.db2.gz PCJPUMPPMIWHKM-HBMCJLEFSA-N 0 0 378.520 3.797 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)C3CCCCC3)C2)sc1C ZINC000332886612 836887632 /nfs/dbraw/zinc/88/76/32/836887632.db2.gz GMXIMGXEXDIIKJ-YOEHRIQHSA-N 0 0 377.554 3.551 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@H]2C ZINC000408419970 844233849 /nfs/dbraw/zinc/23/38/49/844233849.db2.gz QJMAQKNYHRHPSC-MELADBBJSA-N 0 0 387.450 3.856 10 0 GHAERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000102985961 837253134 /nfs/dbraw/zinc/25/31/34/837253134.db2.gz JIJFOMQRGGWWLA-KBPBESRZSA-N 0 0 397.422 3.809 10 0 GHAERN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103315687 837302969 /nfs/dbraw/zinc/30/29/69/837302969.db2.gz JGHMOAYOLIXXSP-FQEVSTJZSA-N 0 0 388.427 3.949 10 0 GHAERN O=C(Nc1cc(F)ccc1O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179648434 838553484 /nfs/dbraw/zinc/55/34/84/838553484.db2.gz OFHBRLSWEJIWNT-CTEACUEPSA-N 0 0 386.467 3.677 10 0 GHAERN Cc1c(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408065326 838708110 /nfs/dbraw/zinc/70/81/10/838708110.db2.gz YKSUFLQEUNJPBP-NVXWUHKLSA-N 0 0 384.451 3.565 10 0 GHAERN COc1cccc2c1CCN(CC(=O)N1c3ccccc3NC(=O)C1(C)C)CC2 ZINC000330202472 839167682 /nfs/dbraw/zinc/16/76/82/839167682.db2.gz ZIRDUHZJOBFYDJ-UHFFFAOYSA-N 0 0 393.487 3.509 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)s1 ZINC000116998825 839521096 /nfs/dbraw/zinc/52/10/96/839521096.db2.gz PASOBVFJEFAILL-AWEZNQCLSA-N 0 0 391.545 3.594 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)C(=O)N1CC=C(c2cccs2)CC1 ZINC000176250696 839902907 /nfs/dbraw/zinc/90/29/07/839902907.db2.gz DDZRJWZPFAPEJB-UHFFFAOYSA-N 0 0 380.469 3.522 10 0 GHAERN O=C(CCC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000108458216 840192358 /nfs/dbraw/zinc/19/23/58/840192358.db2.gz ZXTRITMRTANFNU-QFIPXVFZSA-N 0 0 387.426 3.900 10 0 GHAERN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)c1 ZINC000330227280 840242767 /nfs/dbraw/zinc/24/27/67/840242767.db2.gz BXIFUBBWGCLJIK-OXJNMPFZSA-N 0 0 384.501 3.810 10 0 GHAERN O=S(=O)(CC1CCCCC1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000408436711 844534273 /nfs/dbraw/zinc/53/42/73/844534273.db2.gz HUJWOLFVZWWKRV-ZDUSSCGKSA-N 0 0 379.448 3.518 10 0 GHAERN C[C@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000109552933 840419820 /nfs/dbraw/zinc/41/98/20/840419820.db2.gz UHWGOGMWLQMSOI-LBPRGKRZSA-N 0 0 394.406 3.715 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000106207845 840760546 /nfs/dbraw/zinc/76/05/46/840760546.db2.gz CEESOQIAXRNEJE-INIZCTEOSA-N 0 0 383.521 3.731 10 0 GHAERN Cc1cnn([C@H]2CCCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)c1 ZINC000106220174 840780780 /nfs/dbraw/zinc/78/07/80/840780780.db2.gz ASZXAGMCNIHTIH-KRWDZBQOSA-N 0 0 382.489 3.881 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223098 840805384 /nfs/dbraw/zinc/80/53/84/840805384.db2.gz WVMNZTBAUWQJFM-CVEARBPZSA-N 0 0 390.915 3.826 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408127853 841076288 /nfs/dbraw/zinc/07/62/88/841076288.db2.gz HEUXECXVLLMTOT-JCHJZTRSSA-N 0 0 376.472 3.765 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)c3cc4ccccc4o3)C2)nn1 ZINC000332889860 844611807 /nfs/dbraw/zinc/61/18/07/844611807.db2.gz DCJMRWBMHSEINX-SJLPKXTDSA-N 0 0 393.491 3.903 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000332889984 844611813 /nfs/dbraw/zinc/61/18/13/844611813.db2.gz DLARVMQZAFOMOM-FUHWJXTLSA-N 0 0 386.471 3.845 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000120150575 841435385 /nfs/dbraw/zinc/43/53/85/841435385.db2.gz BOFOYBYRBSYAHN-HOTGVXAUSA-N 0 0 381.929 3.934 10 0 GHAERN CCOc1cc(/C=C\C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)ccc1O ZINC000588413254 841439711 /nfs/dbraw/zinc/43/97/11/841439711.db2.gz MQGQELRIHNCWSL-BHQIVLKMSA-N 0 0 385.435 3.852 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C\C(=O)Nc2cccc3ccc(O)cc32)cc1 ZINC000588422798 841929307 /nfs/dbraw/zinc/92/93/07/841929307.db2.gz ZQLOFXLUKWTHEV-GHXNOFRVSA-N 0 0 382.441 3.569 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408305136 842182768 /nfs/dbraw/zinc/18/27/68/842182768.db2.gz HHZLCRFZJALESE-AWEZNQCLSA-N 0 0 392.171 3.725 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408191078 842205768 /nfs/dbraw/zinc/20/57/68/842205768.db2.gz FQAGCLUZZUDGNH-MANSERQUSA-N 0 0 376.472 3.765 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)NCC1(c3ccccn3)CC1)O[C@@H](C)C2 ZINC000588433648 842424446 /nfs/dbraw/zinc/42/44/46/842424446.db2.gz SVTFQORVRMFTQR-PTZVLDCSSA-N 0 0 378.472 3.665 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)no1 ZINC000329359143 861323318 /nfs/dbraw/zinc/32/33/18/861323318.db2.gz GJJQZNXJZPYPNX-AWEZNQCLSA-N 0 0 397.456 3.855 10 0 GHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328851244 842627784 /nfs/dbraw/zinc/62/77/84/842627784.db2.gz WQPYAKJUQQYJMK-HOTGVXAUSA-N 0 0 380.496 3.523 10 0 GHAERN CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)n1 ZINC000279268484 842778569 /nfs/dbraw/zinc/77/85/69/842778569.db2.gz VXRHMKKBTVNOFE-INIZCTEOSA-N 0 0 387.915 3.843 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000162692576 842842811 /nfs/dbraw/zinc/84/28/11/842842811.db2.gz JBZZDIVFLPUTBD-VLIAUNLRSA-N 0 0 381.476 3.590 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2cc(Br)cs2)CC1 ZINC000162695254 842847353 /nfs/dbraw/zinc/84/73/53/842847353.db2.gz OJUYCOVNWDHMGP-UHFFFAOYSA-N 0 0 396.354 3.658 10 0 GHAERN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@H]2CCC[C@H]21 ZINC000330257038 842907788 /nfs/dbraw/zinc/90/77/88/842907788.db2.gz QLJSGPQZHLAAPA-DGCLKSJQSA-N 0 0 389.546 3.520 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnn(C4CCOCC4)c3C)C2)cc1 ZINC000163242862 842974204 /nfs/dbraw/zinc/97/42/04/842974204.db2.gz VJEKSHFZTQNPAE-CRAIPNDOSA-N 0 0 383.492 3.570 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2cnn(C)c2)CC1=O ZINC000328954813 843132083 /nfs/dbraw/zinc/13/20/83/843132083.db2.gz NAPSWPASRCFCIT-QKLQHJQFSA-N 0 0 394.519 3.650 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3nc(C4CCCCC4)no3)CCO2)o1 ZINC000161854374 843144875 /nfs/dbraw/zinc/14/48/75/843144875.db2.gz LPUBPIVJWHNONU-PBHICJAKSA-N 0 0 388.468 3.863 10 0 GHAERN CCN(CC)c1nc2sc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2s1 ZINC000328958766 843203247 /nfs/dbraw/zinc/20/32/47/843203247.db2.gz OPGSWZRXZMSWIA-ZDUSSCGKSA-N 0 0 389.550 3.915 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 ZINC000162394892 843239078 /nfs/dbraw/zinc/23/90/78/843239078.db2.gz YNYKPBJPGFYBGP-UHFFFAOYSA-N 0 0 382.533 3.834 10 0 GHAERN CCCCOc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1OC ZINC000162404296 843248660 /nfs/dbraw/zinc/24/86/60/843248660.db2.gz PEDYBLFOCQWHMV-UHFFFAOYSA-N 0 0 385.508 3.703 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492403 843265804 /nfs/dbraw/zinc/26/58/04/843265804.db2.gz HYOZPKIDGCAXOA-LIRRHRJNSA-N 0 0 377.448 3.510 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000588451299 843298975 /nfs/dbraw/zinc/29/89/75/843298975.db2.gz UHSDZDXNQIEZAO-ALCCZGGFSA-N 0 0 391.393 3.897 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000588451953 843307192 /nfs/dbraw/zinc/30/71/92/843307192.db2.gz XADVSHFFUPTDLN-NYHXXUGCSA-N 0 0 377.437 3.590 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000588452824 843313162 /nfs/dbraw/zinc/31/31/62/843313162.db2.gz MCHOIUQRKIIRON-QWGSZXSUSA-N 0 0 386.293 3.561 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000588454771 843339464 /nfs/dbraw/zinc/33/94/64/843339464.db2.gz RDQJZBXEEJAOLD-KHPPLWFESA-N 0 0 376.416 3.957 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000588455264 843345682 /nfs/dbraw/zinc/34/56/82/843345682.db2.gz CGRIZRBCGNXUGI-DOOKAGJSSA-N 0 0 396.466 3.603 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000588455014 843351303 /nfs/dbraw/zinc/35/13/03/843351303.db2.gz GRNYATJGDWGAKI-KTKRTIGZSA-N 0 0 398.894 3.823 10 0 GHAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121743214 843485033 /nfs/dbraw/zinc/48/50/33/843485033.db2.gz JFCRCNNYOKRPRT-BBATYDOGSA-N 0 0 395.272 3.837 10 0 GHAERN CCc1nc(C)c(NC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)s1 ZINC000408399087 843529881 /nfs/dbraw/zinc/52/98/81/843529881.db2.gz ZDNWGUSILXTWHN-UHFFFAOYSA-N 0 0 378.542 3.516 10 0 GHAERN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000330315792 843667146 /nfs/dbraw/zinc/66/71/46/843667146.db2.gz PSQIWCHVHDETGS-UWJYYQICSA-N 0 0 398.528 3.835 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@H]43)c2)cc1 ZINC000330321145 843677760 /nfs/dbraw/zinc/67/77/60/843677760.db2.gz SCEZQTLGCJNBNX-OXQOHEQNSA-N 0 0 384.501 3.810 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000588479585 844876053 /nfs/dbraw/zinc/87/60/53/844876053.db2.gz KRVGZGTVANNHIB-SEYXRHQNSA-N 0 0 395.503 3.957 10 0 GHAERN Cc1oc2ccccc2c1CNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000588480127 844881070 /nfs/dbraw/zinc/88/10/70/844881070.db2.gz NSQDTKJFJOZJHQ-HJWRWDBZSA-N 0 0 390.443 3.690 10 0 GHAERN O=C(N[C@@H]1CCc2cc(Br)ccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332968401 845098505 /nfs/dbraw/zinc/09/85/05/845098505.db2.gz YVPAPWKEXALMQT-YJLNNSPDSA-N 0 0 393.325 3.773 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000151671133 845460388 /nfs/dbraw/zinc/46/03/88/845460388.db2.gz BGNYKBNVIKLJSA-IAGOWNOFSA-N 0 0 395.425 3.501 10 0 GHAERN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000152274117 846524859 /nfs/dbraw/zinc/52/48/59/846524859.db2.gz DQVYORRISSBTKJ-INIZCTEOSA-N 0 0 393.491 3.871 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CSc3nccc4ccccc43)CC2)n1 ZINC000152338088 846702918 /nfs/dbraw/zinc/70/29/18/846702918.db2.gz LFOPANYUJCQEQS-UHFFFAOYSA-N 0 0 392.528 3.816 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000588511653 846832630 /nfs/dbraw/zinc/83/26/30/846832630.db2.gz JFUMJFNUWFFKMT-IRVMHKCDSA-N 0 0 375.465 3.516 10 0 GHAERN CC[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)c2cccc(Cl)c2O1 ZINC000329593615 861728570 /nfs/dbraw/zinc/72/85/70/861728570.db2.gz OKIFUYFSRJCJTK-JJRVBVJISA-N 0 0 389.883 3.838 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc2c(s1)-c1ccccc1CC2 ZINC000118672034 847034010 /nfs/dbraw/zinc/03/40/10/847034010.db2.gz AETXTAQEYBHNKM-QGZVFWFLSA-N 0 0 390.512 3.703 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C2)cc1 ZINC000152711146 847645178 /nfs/dbraw/zinc/64/51/78/847645178.db2.gz BNNXDEHAPDOIDS-WCQYABFASA-N 0 0 395.381 3.812 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)nn1-c1cccc(Cl)c1 ZINC000152824518 847768520 /nfs/dbraw/zinc/76/85/20/847768520.db2.gz QRTQLMJANNCLOR-QGZVFWFLSA-N 0 0 393.874 3.824 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H](c3nccs3)C2)c2ccccc21 ZINC000329632903 861851835 /nfs/dbraw/zinc/85/18/35/861851835.db2.gz RZVWHGRZPHVSAT-DLBZAZTESA-N 0 0 383.517 3.780 10 0 GHAERN COc1cccc(/C=C(/C(=O)Nc2cccc(C(C)(F)F)c2)n2nnnc2C)c1 ZINC000588539449 848029971 /nfs/dbraw/zinc/02/99/71/848029971.db2.gz GVUZMAUAVLKJJQ-WQRHYEAKSA-N 0 0 399.401 3.739 10 0 GHAERN C[C@H](c1nc(Cc2ccccc2)no1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000119853938 848448981 /nfs/dbraw/zinc/44/89/81/848448981.db2.gz OIQLKLOHJMXMQL-MRXNPFEDSA-N 0 0 396.516 3.631 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000153521182 848598615 /nfs/dbraw/zinc/59/86/15/848598615.db2.gz DWVOBZFMEZMFQL-OAHLLOKOSA-N 0 0 396.520 3.859 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)o1 ZINC000153529075 848608727 /nfs/dbraw/zinc/60/87/27/848608727.db2.gz FDJOZOLRBJCLRV-ICSRJNTNSA-N 0 0 386.448 3.751 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(OC[C@@H]4CCCO4)cc3)CCO2)o1 ZINC000153529181 848608813 /nfs/dbraw/zinc/60/88/13/848608813.db2.gz FDJOZOLRBJCLRV-AZUAARDMSA-N 0 0 386.448 3.751 10 0 GHAERN COC(=O)/C(=C/c1ccc(Cl)c(C(F)(F)F)c1)CN1CCC(=O)CC1 ZINC000588566177 848901928 /nfs/dbraw/zinc/90/19/28/848901928.db2.gz LIAAQBKUOZOKDP-XYOKQWHBSA-N 0 0 375.774 3.580 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(-c4nccc(C)n4)cc3)CCO2)o1 ZINC000154119597 849191805 /nfs/dbraw/zinc/19/18/05/849191805.db2.gz RBYKEFPIFIKZTA-LJQANCHMSA-N 0 0 378.432 3.959 10 0 GHAERN CC(C)c1csc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000154210076 849218268 /nfs/dbraw/zinc/21/82/68/849218268.db2.gz ONCPYEJMMHSOIE-UHFFFAOYSA-N 0 0 392.569 3.591 10 0 GHAERN O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000154674526 849348788 /nfs/dbraw/zinc/34/87/88/849348788.db2.gz ZACNPQSDZGRJGB-CIAFKFPVSA-N 0 0 380.463 3.619 10 0 GHAERN CCS(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000155428365 849526771 /nfs/dbraw/zinc/52/67/71/849526771.db2.gz UJZDIIZUBTXEQU-UHFFFAOYSA-N 0 0 383.513 3.729 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1CCN(c2cccs2)CC1 ZINC000155931741 849702974 /nfs/dbraw/zinc/70/29/74/849702974.db2.gz GCAIBCILDIGAEE-FQEVSTJZSA-N 0 0 395.528 3.797 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc(C)ccc3Br)CC2)nc1 ZINC000156257882 849832374 /nfs/dbraw/zinc/83/23/74/849832374.db2.gz AQSALSUEHQJYBA-UHFFFAOYSA-N 0 0 388.309 3.860 10 0 GHAERN COc1cc(Cc2noc([C@@H]3C[C@@H]3C3CCCCC3)n2)ccc1S(C)(=O)=O ZINC000329701070 862153865 /nfs/dbraw/zinc/15/38/65/862153865.db2.gz HFVDZMZLUIBDQP-HZPDHXFCSA-N 0 0 390.505 3.756 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1OC ZINC000333787960 851119502 /nfs/dbraw/zinc/11/95/02/851119502.db2.gz CTKKJYNJLBBRLB-NXHRZFHOSA-N 0 0 388.508 3.756 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333828101 851218287 /nfs/dbraw/zinc/21/82/87/851218287.db2.gz KZGBFJQBTRTRNB-NPWMKFEGSA-N 0 0 386.540 3.544 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000101618539 851756793 /nfs/dbraw/zinc/75/67/93/851756793.db2.gz HMOVOYIRBWLNII-GOSISDBHSA-N 0 0 384.867 3.857 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000101734965 851858681 /nfs/dbraw/zinc/85/86/81/851858681.db2.gz LKIAVKVLYLAUGA-ZDUSSCGKSA-N 0 0 396.329 3.854 10 0 GHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164680473 853701235 /nfs/dbraw/zinc/70/12/35/853701235.db2.gz UDXGKJRJTFIMNZ-CRAIPNDOSA-N 0 0 383.879 3.504 10 0 GHAERN CCN(C(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccc(Br)cn1 ZINC000102255670 854256825 /nfs/dbraw/zinc/25/68/25/854256825.db2.gz VXYDFODLKDDODN-UHFFFAOYSA-N 0 0 393.329 3.909 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000330068924 862549512 /nfs/dbraw/zinc/54/95/12/862549512.db2.gz GSNZNEPATUMISR-DYESRHJHSA-N 0 0 396.466 3.524 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)[nH]1 ZINC000328761926 854532431 /nfs/dbraw/zinc/53/24/31/854532431.db2.gz YKFZSOHOIIZVLJ-XHSDSOJGSA-N 0 0 389.297 3.733 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC3(CC3)C2)n1C[C@@H]1CCOC1 ZINC000328797515 854561024 /nfs/dbraw/zinc/56/10/24/854561024.db2.gz VVXKEVZDDSUXCK-BZSNNMDCSA-N 0 0 388.556 3.614 10 0 GHAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968175 854636687 /nfs/dbraw/zinc/63/66/87/854636687.db2.gz UBXGSIOKBKKNCT-PMACEKPBSA-N 0 0 385.439 3.555 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)N[C@@H](C)CCCC(C)C)n2)c1 ZINC000105689599 855131812 /nfs/dbraw/zinc/13/18/12/855131812.db2.gz XSGVUFQATNEEIH-OQRWROFFSA-N 0 0 391.537 3.625 10 0 GHAERN C[C@H](C(=O)N1CCc2ccccc21)[S@@](=O)Cc1csc(Br)c1 ZINC000105692050 855132402 /nfs/dbraw/zinc/13/24/02/855132402.db2.gz HHICRDKAILXNFA-RKFFSXRUSA-N 0 0 398.347 3.737 10 0 GHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(Br)cc1Cl ZINC000105694260 855133022 /nfs/dbraw/zinc/13/30/22/855133022.db2.gz DWISDLQWMDIILF-HXUWFJFHSA-N 0 0 380.735 3.656 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)C[C@@H]1C ZINC000191025721 855560635 /nfs/dbraw/zinc/56/06/35/855560635.db2.gz PXAXVXIHBMOVPE-RDJZCZTQSA-N 0 0 376.497 3.513 10 0 GHAERN COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000183141609 855735694 /nfs/dbraw/zinc/73/56/94/855735694.db2.gz UEWKSTANXSWQQW-QGZVFWFLSA-N 0 0 392.459 3.543 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000041837904 856330166 /nfs/dbraw/zinc/33/01/66/856330166.db2.gz LAPDKVNFQNKFLF-ZHACJKMWSA-N 0 0 391.515 3.889 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000042663942 856411455 /nfs/dbraw/zinc/41/14/55/856411455.db2.gz NBZPYZOPYNMARJ-CVTTXWKISA-N 0 0 383.455 3.697 10 0 GHAERN CSc1ccccc1NC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000185692368 856419587 /nfs/dbraw/zinc/41/95/87/856419587.db2.gz ZQRKBCNWPGVTBG-UHFFFAOYSA-N 0 0 385.537 3.984 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(COCc2ccco2)c1 ZINC000105006218 856459548 /nfs/dbraw/zinc/45/95/48/856459548.db2.gz PLFNFBQIBHJYRD-FQEVSTJZSA-N 0 0 380.444 3.722 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000172226173 856466195 /nfs/dbraw/zinc/46/61/95/856466195.db2.gz WJANPVRDJTYGQQ-JKSUJKDBSA-N 0 0 387.505 3.955 10 0 GHAERN Cn1nc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc1OC(F)F ZINC000185880863 856471663 /nfs/dbraw/zinc/47/16/63/856471663.db2.gz AYSCPDGROPIDDC-CQSZACIVSA-N 0 0 377.391 3.588 10 0 GHAERN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H]1CCO[C@@H]1C)CC2 ZINC000129727148 857635754 /nfs/dbraw/zinc/63/57/54/857635754.db2.gz ZKWDKMIFEXVSLV-YOMUGFJLSA-N 0 0 396.487 3.538 10 0 GHAERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129925400 858338516 /nfs/dbraw/zinc/33/85/16/858338516.db2.gz UMIICQPTFFBENR-HOCLYGCPSA-N 0 0 384.501 3.819 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1ccc(Br)cn1 ZINC000281424765 863021251 /nfs/dbraw/zinc/02/12/51/863021251.db2.gz GCWYJGITSYVOKJ-JFOHDYCDSA-N 0 0 396.329 3.630 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156040114 859614663 /nfs/dbraw/zinc/61/46/63/859614663.db2.gz JBAYHFLGGJMMQX-JGFGOQIWSA-N 0 0 392.368 3.905 10 0 GHAERN Cc1ccc([C@@H]2CSCCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161559588 859703659 /nfs/dbraw/zinc/70/36/59/859703659.db2.gz SVYWBKBJWRVNQB-MSOLQXFVSA-N 0 0 399.564 3.524 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccncc1 ZINC000022753429 860270657 /nfs/dbraw/zinc/27/06/57/860270657.db2.gz UHJHTVZHPNMTIU-XLIONFOSSA-N 0 0 387.483 3.964 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000172125448 860431933 /nfs/dbraw/zinc/43/19/33/860431933.db2.gz DGVVQSKAYXJZDR-SFHVURJKSA-N 0 0 383.540 3.522 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 ZINC000173069153 860647647 /nfs/dbraw/zinc/64/76/47/860647647.db2.gz SSFNLAUHKWSUDI-ZACQAIPSSA-N 0 0 384.501 3.732 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(F)cc1Br ZINC000103573217 881574398 /nfs/dbraw/zinc/57/43/98/881574398.db2.gz JBIJNKRQRMABCK-UHFFFAOYSA-N 0 0 390.253 3.625 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3cccc(NC(C)=O)c3)o2)cc1 ZINC000102947198 860913642 /nfs/dbraw/zinc/91/36/42/860913642.db2.gz PEOXTZXKKQAERE-MHZLTWQESA-N 0 0 384.457 3.758 10 0 GHAERN O=C(Nc1ccccc1-n1cccn1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102953045 860917655 /nfs/dbraw/zinc/91/76/55/860917655.db2.gz IZRQSWCCKWTBNO-QGZVFWFLSA-N 0 0 376.416 3.970 10 0 GHAERN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H]3Cn3ccnn3)c2c1 ZINC000329160541 861088865 /nfs/dbraw/zinc/08/88/65/861088865.db2.gz DVHGUOZZWSEPFL-KRWDZBQOSA-N 0 0 375.476 3.625 10 0 GHAERN CC(=O)N1CCc2cc(NC(=O)NCCc3c[nH]c4cccc(C)c34)ccc21 ZINC000103233760 863917346 /nfs/dbraw/zinc/91/73/46/863917346.db2.gz JJIOBIWPDXLABN-UHFFFAOYSA-N 0 0 376.460 3.750 10 0 GHAERN COc1ccc(OC)c(CCNC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000103309774 863952729 /nfs/dbraw/zinc/95/27/29/863952729.db2.gz PFTAZKDIYJIKJT-JOCHJYFZSA-N 0 0 391.471 3.730 10 0 GHAERN COC(=O)c1ccc(F)c(NC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000103315089 863955064 /nfs/dbraw/zinc/95/50/64/863955064.db2.gz ITVHWPSHJKSVIY-LJQANCHMSA-N 0 0 379.391 3.918 10 0 GHAERN Cc1nnc(CN(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)n1C1CC1 ZINC000103482453 864035019 /nfs/dbraw/zinc/03/50/19/864035019.db2.gz NUNAAAQBJRAHCR-UHFFFAOYSA-N 0 0 395.429 3.789 10 0 GHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103747578 864081386 /nfs/dbraw/zinc/08/13/86/864081386.db2.gz WMNSBBJQZPSNTN-GFCCVEGCSA-N 0 0 381.823 3.895 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103755226 864083374 /nfs/dbraw/zinc/08/33/74/864083374.db2.gz UWDXEJMKMFSXRZ-UHFFFAOYSA-N 0 0 380.795 3.587 10 0 GHAERN COc1ccc(N(C(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H](C)C2CC2)cc1 ZINC000103782773 864092448 /nfs/dbraw/zinc/09/24/48/864092448.db2.gz XBIOVDYHKSDCPT-ZDUSSCGKSA-N 0 0 397.866 3.770 10 0 GHAERN COc1ccc(N(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)[C@@H](C)C2CC2)cc1 ZINC000103942867 864093882 /nfs/dbraw/zinc/09/38/82/864093882.db2.gz XROUKOZVFAKJOC-UONOGXRCSA-N 0 0 380.444 3.860 10 0 GHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000103975011 864141605 /nfs/dbraw/zinc/14/16/05/864141605.db2.gz RULAXKSYIHDNHE-MRXNPFEDSA-N 0 0 395.478 3.693 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N(Cc1ccco1)Cc1ccc(O)cc1)c1ccccc1 ZINC000104116838 864154131 /nfs/dbraw/zinc/15/41/31/864154131.db2.gz BLWWOZPVTDLIRM-QFIPXVFZSA-N 0 0 392.455 3.782 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000104459437 864325885 /nfs/dbraw/zinc/32/58/85/864325885.db2.gz UDJHVHANRBUHKD-UHFFFAOYSA-N 0 0 397.450 3.908 10 0 GHAERN O[C@@]12CCCC[C@H]1CN(Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217890 864963156 /nfs/dbraw/zinc/96/31/56/864963156.db2.gz ZZVFBINMDGZEFI-MEDUHNTESA-N 0 0 398.326 3.688 10 0 GHAERN CC(C)c1noc(-c2ccnc(N3CCCN(C(=O)c4cccs4)CC3)c2)n1 ZINC000301407678 865343170 /nfs/dbraw/zinc/34/31/70/865343170.db2.gz VYAGHDWYIHQVJY-UHFFFAOYSA-N 0 0 397.504 3.669 10 0 GHAERN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000173511935 865976521 /nfs/dbraw/zinc/97/65/21/865976521.db2.gz SOEQYMMVTXZWNC-CVEARBPZSA-N 0 0 389.908 3.903 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H]1c3ccccc3CCC1(C)C)CC2 ZINC000164655606 866109772 /nfs/dbraw/zinc/10/97/72/866109772.db2.gz IZOBAJPGKWJLCJ-VAMGGRTRSA-N 0 0 386.536 3.662 10 0 GHAERN Cn1nccc1C1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000110414150 866625027 /nfs/dbraw/zinc/62/50/27/866625027.db2.gz RSWBQNGPZCALCV-UHFFFAOYSA-N 0 0 382.468 3.714 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1)C1CCCCC1 ZINC000151089073 866690171 /nfs/dbraw/zinc/69/01/71/866690171.db2.gz QYHZXJZUPYIACT-AUSIDOKSSA-N 0 0 384.520 3.973 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1NC(=O)C(C)(C)C ZINC000111782875 866703411 /nfs/dbraw/zinc/70/34/11/866703411.db2.gz OLAIWOVDAWZGNY-HNNXBMFYSA-N 0 0 388.512 3.502 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632026 882041964 /nfs/dbraw/zinc/04/19/64/882041964.db2.gz OOYQZLZQIIUMJO-UHFFFAOYSA-N 0 0 379.416 3.666 10 0 GHAERN COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000171197314 882087272 /nfs/dbraw/zinc/08/72/72/882087272.db2.gz XYSRKEZSSDVAMG-HXUWFJFHSA-N 0 0 378.472 3.795 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171616225 882116956 /nfs/dbraw/zinc/11/69/56/882116956.db2.gz ZAVLLGOSDCATSP-KKSFZXQISA-N 0 0 377.488 3.771 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171642825 882119739 /nfs/dbraw/zinc/11/97/39/882119739.db2.gz PZJHEQNNBKRXOX-OAHLLOKOSA-N 0 0 399.545 3.531 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CCC[C@H](c4nccs4)C3)ccc2[nH]1 ZINC000171722573 882156061 /nfs/dbraw/zinc/15/60/61/882156061.db2.gz GBJHLQSEJXIIRU-AWEZNQCLSA-N 0 0 383.473 3.821 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)CC2)n1 ZINC000171803146 882161393 /nfs/dbraw/zinc/16/13/93/882161393.db2.gz VCQJBUHZBYDMHB-AZUAARDMSA-N 0 0 397.544 3.767 10 0 GHAERN Cc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000171850213 882163779 /nfs/dbraw/zinc/16/37/79/882163779.db2.gz WLWROWPLEBNYQQ-LJQANCHMSA-N 0 0 378.480 3.557 10 0 GHAERN CCc1nc([C@H](C)NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000171857506 882164333 /nfs/dbraw/zinc/16/43/33/882164333.db2.gz SRXWLLJBDIWKLD-HNNXBMFYSA-N 0 0 392.569 3.591 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)N2CC=C(c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000172092555 882168703 /nfs/dbraw/zinc/16/87/03/882168703.db2.gz WTLOVBISOHOSDT-RXVVDRJESA-N 0 0 380.513 3.974 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)n1 ZINC000172132033 882171661 /nfs/dbraw/zinc/17/16/61/882171661.db2.gz CEHBAYJTWWLSRN-IFMALSPDSA-N 0 0 394.519 3.578 10 0 GHAERN Cc1cccnc1[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C(C)C ZINC000172157226 882174785 /nfs/dbraw/zinc/17/47/85/882174785.db2.gz YZPBFRHVXLYBNE-IEBWSBKVSA-N 0 0 392.507 3.719 10 0 GHAERN O=C(CN1CCC(n2ccnc2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000171942931 882179509 /nfs/dbraw/zinc/17/95/09/882179509.db2.gz SGCKDMFQFLJLDQ-UHFFFAOYSA-N 0 0 386.805 3.831 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)c1cc(-c2ccccc2)ccc1Cl ZINC000171959735 882179535 /nfs/dbraw/zinc/17/95/35/882179535.db2.gz PTTUAUMZRYNKMD-UHFFFAOYSA-N 0 0 389.846 3.913 10 0 GHAERN CCn1c(CCNC(=O)N2CCC[C@@H](c3nccs3)C2)nc2ccccc21 ZINC000172227641 882188395 /nfs/dbraw/zinc/18/83/95/882188395.db2.gz JAFPXBBVSSQBSE-OAHLLOKOSA-N 0 0 383.521 3.644 10 0 GHAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc2ccccc2c1 ZINC000172503360 882291053 /nfs/dbraw/zinc/29/10/53/882291053.db2.gz LULGHEZBRNRYOF-AWEZNQCLSA-N 0 0 386.411 3.706 10 0 GHAERN COc1ccccc1-c1nnc(C[S@](=O)Cc2csc(C(C)C)n2)o1 ZINC000172833510 882311434 /nfs/dbraw/zinc/31/14/34/882311434.db2.gz LKPNACZHLFQRHO-RUZDIDTESA-N 0 0 377.491 3.774 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2N2CCCC2=O)cc1 ZINC000172855196 882313754 /nfs/dbraw/zinc/31/37/54/882313754.db2.gz JLHHQBFEILSZNI-FQEVSTJZSA-N 0 0 393.487 3.598 10 0 GHAERN O=C(Nc1ccc(-c2ccccc2)cn1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172972000 882325730 /nfs/dbraw/zinc/32/57/30/882325730.db2.gz GEOCICLWQKNXJE-UHFFFAOYSA-N 0 0 386.455 3.635 10 0 GHAERN CSCCc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172961015 882326379 /nfs/dbraw/zinc/32/63/79/882326379.db2.gz DIBNBASFMOJIFR-LJQANCHMSA-N 0 0 383.517 3.621 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173403481 882359610 /nfs/dbraw/zinc/35/96/10/882359610.db2.gz AXAJKLKXHXVDGR-LSDHHAIUSA-N 0 0 379.526 3.639 10 0 GHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@@H]2c3ccccc3NC2=O)s1 ZINC000173463412 882363605 /nfs/dbraw/zinc/36/36/05/882363605.db2.gz HXPTWSUAJQIEJJ-DZGCQCFKSA-N 0 0 386.521 3.842 10 0 GHAERN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000173485061 882365003 /nfs/dbraw/zinc/36/50/03/882365003.db2.gz BFFJFUNZADTSSZ-IBGZPJMESA-N 0 0 379.460 3.511 10 0 GHAERN CC[C@H](NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O)c1nc(C(F)(F)F)cs1 ZINC000173737352 882370878 /nfs/dbraw/zinc/37/08/78/882370878.db2.gz PLKFZSCJSAPKTR-OBJOEFQTSA-N 0 0 385.411 3.571 10 0 GHAERN O[C@]12CCCC[C@H]1C[N@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000247972021 870250667 /nfs/dbraw/zinc/25/06/67/870250667.db2.gz JRTMVFHEIYXVPR-UGSOOPFHSA-N 0 0 392.297 3.626 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Br)s2)cs1 ZINC000188016773 870264823 /nfs/dbraw/zinc/26/48/23/870264823.db2.gz UTTGGJJITBASTE-JTQLQIEISA-N 0 0 393.353 3.801 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000188095020 870266671 /nfs/dbraw/zinc/26/66/71/870266671.db2.gz JZZDOZPYYJTSOE-UNMCSNQZSA-N 0 0 377.488 3.651 10 0 GHAERN Cc1c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)cccc1N1CCNC1=O ZINC000173668684 882390709 /nfs/dbraw/zinc/39/07/09/882390709.db2.gz KRRHMVQMCKEXPE-KUDFPVQQSA-N 0 0 393.487 3.515 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189984834 870315595 /nfs/dbraw/zinc/31/55/95/870315595.db2.gz SUNLPULONZNKEZ-XGUBFFRZSA-N 0 0 388.434 3.543 10 0 GHAERN CCCOc1c(Cl)cc(CN2CCC(n3cncn3)CC2)cc1OCC ZINC000092648105 882410494 /nfs/dbraw/zinc/41/04/94/882410494.db2.gz CDQDWDVXKLEZSP-UHFFFAOYSA-N 0 0 378.904 3.956 10 0 GHAERN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174066686 882419361 /nfs/dbraw/zinc/41/93/61/882419361.db2.gz FXGKIKBVGLATNS-UHFFFAOYSA-N 0 0 381.455 3.510 10 0 GHAERN Cc1ccc(-c2nc(C(=O)N3CCCN(c4ccc(C)nn4)CC3)cs2)cc1 ZINC000109635516 870647930 /nfs/dbraw/zinc/64/79/30/870647930.db2.gz KIAAYHDDOHBTNF-UHFFFAOYSA-N 0 0 393.516 3.569 10 0 GHAERN O=C(Nc1nc(-c2ccccc2Cl)ns1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000110381592 870651483 /nfs/dbraw/zinc/65/14/83/870651483.db2.gz AWBYPJGNPCQWKB-NSHDSACASA-N 0 0 390.896 3.588 10 0 GHAERN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000114825938 870750766 /nfs/dbraw/zinc/75/07/66/870750766.db2.gz FNUYYICETMBXMV-CVEARBPZSA-N 0 0 388.512 3.698 10 0 GHAERN CC(=O)NCc1ccc(C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)s1 ZINC000102968217 870869009 /nfs/dbraw/zinc/86/90/09/870869009.db2.gz UWIGTFCUVXCMFJ-IBGZPJMESA-N 0 0 384.432 3.865 10 0 GHAERN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)ccc1C(N)=O ZINC000102987409 870888928 /nfs/dbraw/zinc/88/89/28/870888928.db2.gz NTMCMZRNZLTARL-UHFFFAOYSA-N 0 0 398.850 3.666 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(N4CCCC4=O)cc3)c21 ZINC000103176948 871441394 /nfs/dbraw/zinc/44/13/94/871441394.db2.gz YOJICGDPVJNCQP-UHFFFAOYSA-N 0 0 390.487 3.645 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000175237660 882561298 /nfs/dbraw/zinc/56/12/98/882561298.db2.gz KLJIDWHFIFUHJP-QUCCMNQESA-N 0 0 384.545 3.976 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000103443911 871998774 /nfs/dbraw/zinc/99/87/74/871998774.db2.gz VWDUYRXFOKSGPH-HUUCEWRRSA-N 0 0 397.313 3.584 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)C1=Cc2ccccc2CC1 ZINC000101582143 872115359 /nfs/dbraw/zinc/11/53/59/872115359.db2.gz QSCXSUXHHWYNEX-UHFFFAOYSA-N 0 0 398.459 3.930 10 0 GHAERN NC(=O)N[C@@H](CC(=O)Nc1cnccc1-c1cccc(F)c1)c1cccs1 ZINC000175519020 882593488 /nfs/dbraw/zinc/59/34/88/882593488.db2.gz ISZNYRKUPWTYOE-HNNXBMFYSA-N 0 0 384.436 3.687 10 0 GHAERN O=C(NCc1nccn1CCc1ccccc1)N1CCC[C@@H](c2nccs2)C1 ZINC000175921589 882614611 /nfs/dbraw/zinc/61/46/11/882614611.db2.gz ZZXJHXPBQNBDEX-GOSISDBHSA-N 0 0 395.532 3.672 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000175751581 882621177 /nfs/dbraw/zinc/62/11/77/882621177.db2.gz UKQYCDRLDNXWEX-MOPGFXCFSA-N 0 0 396.535 3.514 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000176321206 882677501 /nfs/dbraw/zinc/67/75/01/882677501.db2.gz WWHMANJURALTHT-IBGZPJMESA-N 0 0 394.454 3.532 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000115219503 873063998 /nfs/dbraw/zinc/06/39/98/873063998.db2.gz JLRPFUNZXPWNRG-NYYWCZLTSA-N 0 0 382.435 3.867 10 0 GHAERN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000176349661 882682810 /nfs/dbraw/zinc/68/28/10/882682810.db2.gz BTIJXBXTLYXORV-HXUWFJFHSA-N 0 0 389.459 3.832 10 0 GHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176470190 882697058 /nfs/dbraw/zinc/69/70/58/882697058.db2.gz MHNWLTONTRUQEE-LNLFQRSKSA-N 0 0 377.492 3.811 10 0 GHAERN COc1ccc(-c2csc(CNC(=O)N3CCC(n4cncn4)CC3)c2)cc1 ZINC000176519362 882711040 /nfs/dbraw/zinc/71/10/40/882711040.db2.gz KYOWNASBIIHFDF-UHFFFAOYSA-N 0 0 397.504 3.562 10 0 GHAERN CNC(=O)c1cc(NC(=O)N2CCSC3(CCCCC3)C2)ccc1Cl ZINC000177032763 882728408 /nfs/dbraw/zinc/72/84/08/882728408.db2.gz VNRRJACDHGUIOV-UHFFFAOYSA-N 0 0 381.929 3.983 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000116569806 873567585 /nfs/dbraw/zinc/56/75/85/873567585.db2.gz IMFUNHJWLBXHPY-JTSKRJEESA-N 0 0 396.510 3.805 10 0 GHAERN Cc1noc2nc(C3CC3)cc(C(=O)NC3CCN(c4cccc(C)n4)CC3)c12 ZINC000116669429 873614495 /nfs/dbraw/zinc/61/44/95/873614495.db2.gz OQURRXCYXJXOFH-UHFFFAOYSA-N 0 0 391.475 3.511 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)Nc3cnn(C)c3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102802437 873649426 /nfs/dbraw/zinc/64/94/26/873649426.db2.gz BJHPPLWSMVBZRI-RYUDHWBXSA-N 0 0 397.401 3.697 10 0 GHAERN C[C@@H](CC(=O)N1CC=C(c2cccs2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000117720520 874146462 /nfs/dbraw/zinc/14/64/62/874146462.db2.gz RQCRMPRITBDOAV-AWEZNQCLSA-N 0 0 393.505 3.755 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O ZINC000004305863 874215496 /nfs/dbraw/zinc/21/54/96/874215496.db2.gz FZKRYHWLCBEFGC-QHCPKHFHSA-N 0 0 390.439 3.767 10 0 GHAERN Cc1cccc(NC(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1 ZINC000004307000 874216636 /nfs/dbraw/zinc/21/66/36/874216636.db2.gz NTVGGKYGLYPIDW-HSZRJFAPSA-N 0 0 387.439 3.554 10 0 GHAERN CC(C)CC(=O)N1CCC(NC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000117963517 874282995 /nfs/dbraw/zinc/28/29/95/874282995.db2.gz HGVCMLHDPJXQEW-UHFFFAOYSA-N 0 0 375.538 3.584 10 0 GHAERN O=C(CNC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1)Nc1ccccc1 ZINC000178108439 882886842 /nfs/dbraw/zinc/88/68/42/882886842.db2.gz TUWLNNUXGMDKNA-HXUWFJFHSA-N 0 0 394.862 3.762 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178793494 882919095 /nfs/dbraw/zinc/91/90/95/882919095.db2.gz WJVNNYZQJDHPJO-UHFFFAOYSA-N 0 0 392.507 3.709 10 0 GHAERN CS(=O)(=O)Cc1cccc(C(=O)OCCc2ccccc2C(F)(F)F)c1 ZINC000105776559 875458116 /nfs/dbraw/zinc/45/81/16/875458116.db2.gz UROLYCGNUJGLAW-UHFFFAOYSA-N 0 0 386.391 3.650 10 0 GHAERN CCCOc1ccc(-c2nc(C(=O)N3CCC(n4cncn4)CC3)cs2)cc1 ZINC000120352938 875945757 /nfs/dbraw/zinc/94/57/57/875945757.db2.gz ZLYJPEBBSXDMLJ-UHFFFAOYSA-N 0 0 397.504 3.668 10 0 GHAERN CCC(CC)n1ncc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1C ZINC000120782843 876262743 /nfs/dbraw/zinc/26/27/43/876262743.db2.gz RNICJCZCXLOXGA-UHFFFAOYSA-N 0 0 388.537 3.602 10 0 GHAERN CCO[C@H](C)c1nc(CN2CCCN(C(=O)c3cccs3)CC2)cs1 ZINC000120805335 876308524 /nfs/dbraw/zinc/30/85/24/876308524.db2.gz ILOHPRAIRBDDBB-CQSZACIVSA-N 0 0 379.551 3.650 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)CCO2)o1 ZINC000120882647 876326375 /nfs/dbraw/zinc/32/63/75/876326375.db2.gz OJKFIGBMPLGGPG-UZLBHIALSA-N 0 0 380.448 3.618 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179837987 883031808 /nfs/dbraw/zinc/03/18/08/883031808.db2.gz FJYHRBFHLRKBPF-QUCCMNQESA-N 0 0 398.507 3.606 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180143875 883061480 /nfs/dbraw/zinc/06/14/80/883061480.db2.gz NTNPWTWMHWAQDR-GJZGRUSLSA-N 0 0 397.306 3.783 10 0 GHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000180778276 883098316 /nfs/dbraw/zinc/09/83/16/883098316.db2.gz CTBUBPZJJZKAHQ-UHFFFAOYSA-N 0 0 398.551 3.662 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000121927072 878047916 /nfs/dbraw/zinc/04/79/16/878047916.db2.gz ZECGCOACBKMKHG-OXJNMPFZSA-N 0 0 380.488 3.805 10 0 GHAERN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C(=O)c3cccs3)CC1)[C@H](C)C2 ZINC000181254297 883130860 /nfs/dbraw/zinc/13/08/60/883130860.db2.gz HANUNIURFLMKSZ-QRWLVFNGSA-N 0 0 382.529 3.958 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccnn3Cc3ccccn3)C2)cc1 ZINC000181178471 883152572 /nfs/dbraw/zinc/15/25/72/883152572.db2.gz ICSJMNXDJRRDQA-WMZOPIPTSA-N 0 0 391.475 3.745 10 0 GHAERN C[C@@H](OC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1nc2ccccc2o1 ZINC000181733530 883177413 /nfs/dbraw/zinc/17/74/13/883177413.db2.gz INNYEBCZMOETLW-PBHICJAKSA-N 0 0 379.416 3.522 10 0 GHAERN CCCCN(CC)c1ccc(C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000181915785 883192074 /nfs/dbraw/zinc/19/20/74/883192074.db2.gz GWWYAVMUTMPSFN-UHFFFAOYSA-N 0 0 398.551 3.522 10 0 GHAERN O=C(NCc1ccc(N2CCOC2=O)cc1)N1CC=C(c2cccs2)CC1 ZINC000181913412 883192312 /nfs/dbraw/zinc/19/23/12/883192312.db2.gz SCVLPHYYJLFBJD-UHFFFAOYSA-N 0 0 383.473 3.704 10 0 GHAERN C[C@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc2ccccc2c1 ZINC000181923694 883193803 /nfs/dbraw/zinc/19/38/03/883193803.db2.gz SZFMZWSONCNUMC-KRWDZBQOSA-N 0 0 377.488 3.538 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)C[C@@H](C)c2nccs2)c2ccccc2F)no1 ZINC000182026379 883200443 /nfs/dbraw/zinc/20/04/43/883200443.db2.gz RLEIIAPAMWZNFW-IAQYHMDHSA-N 0 0 389.456 3.508 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N[C@@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)nc1 ZINC000182492976 883222542 /nfs/dbraw/zinc/22/25/42/883222542.db2.gz DLJVCTDXHNYVSP-TZIWHRDSSA-N 0 0 399.922 3.906 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3cccc(NC(C)=O)c3)cc2)CCC(=O)NC1=O ZINC000182742189 883233859 /nfs/dbraw/zinc/23/38/59/883233859.db2.gz OEPYFKNZQXAENK-IQMFZBJNSA-N 0 0 393.487 3.903 10 0 GHAERN Cc1ccc(OC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc1 ZINC000182842588 883245407 /nfs/dbraw/zinc/24/54/07/883245407.db2.gz UFYIBRHKWRFCAZ-UHFFFAOYSA-N 0 0 393.409 3.891 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000184054651 883330745 /nfs/dbraw/zinc/33/07/45/883330745.db2.gz ORUOAYNBNJSLLS-BFUOFWGJSA-N 0 0 380.872 3.594 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000184549723 883355373 /nfs/dbraw/zinc/35/53/73/883355373.db2.gz IDPMREVKTSTIJJ-CJNGLKHVSA-N 0 0 378.519 3.663 10 0 GHAERN CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184605551 883366353 /nfs/dbraw/zinc/36/63/53/883366353.db2.gz JFGKITSSLOZJNS-HXUWFJFHSA-N 0 0 399.466 3.517 10 0 GHAERN CC(C)(C)C[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C(F)(F)F ZINC000184647506 883370319 /nfs/dbraw/zinc/37/03/19/883370319.db2.gz VEVVFZRTIKAELB-KBPBESRZSA-N 0 0 397.445 3.985 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccncc1 ZINC000184710340 883380228 /nfs/dbraw/zinc/38/02/28/883380228.db2.gz RFUYWULOJIRDFU-YJBOKZPZSA-N 0 0 376.464 3.517 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000184972985 883407599 /nfs/dbraw/zinc/40/75/99/883407599.db2.gz IXOUXMDROZQVKQ-QUCCMNQESA-N 0 0 388.895 3.589 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(CCC(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185242009 883428366 /nfs/dbraw/zinc/42/83/66/883428366.db2.gz DHJICUZYEURMFX-HXUWFJFHSA-N 0 0 375.488 3.839 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)o1 ZINC000185331731 883436061 /nfs/dbraw/zinc/43/60/61/883436061.db2.gz VFCRROZQBSUSCW-DYBMROTFSA-N 0 0 394.471 3.999 10 0 GHAERN COc1ccc(C[C@@H](C)C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185508372 883547750 /nfs/dbraw/zinc/54/77/50/883547750.db2.gz PIYUAHYVKVFYOC-QRQCRPRQSA-N 0 0 398.478 3.623 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)c2ccc(F)cc2C1 ZINC000185510089 883547807 /nfs/dbraw/zinc/54/78/07/883547807.db2.gz AMWZBPMYJIOKAL-GOSISDBHSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2C1 ZINC000185516278 883548853 /nfs/dbraw/zinc/54/88/53/883548853.db2.gz WMCRMRCFALGJPA-IBGZPJMESA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)c2c(C)noc2C)c2ccc(F)cc2C1 ZINC000185522972 883550167 /nfs/dbraw/zinc/55/01/67/883550167.db2.gz VLSRVLSBPHCJKW-CWTRNNRKSA-N 0 0 387.455 3.534 10 0 GHAERN CC(=O)c1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185535571 883551102 /nfs/dbraw/zinc/55/11/02/883551102.db2.gz SRAUVUYMEFLIDV-NRFANRHFSA-N 0 0 397.450 3.952 10 0 GHAERN CCOc1ccc(CCC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185564603 883558234 /nfs/dbraw/zinc/55/82/34/883558234.db2.gz LHMSDBNYMRHYNW-JOCHJYFZSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2c(C)cc(C)nc2Cl)c2ccc(F)cc2C1 ZINC000185688579 883573637 /nfs/dbraw/zinc/57/36/37/883573637.db2.gz IGJBOTDESPUVJQ-QGZVFWFLSA-N 0 0 389.858 3.714 10 0 GHAERN COCc1c(C(=O)N2CCC(c3nc(C)cs3)CC2)cnn1-c1ccccc1 ZINC000186146818 883615826 /nfs/dbraw/zinc/61/58/26/883615826.db2.gz HZYKFOSJDBVRNF-UHFFFAOYSA-N 0 0 396.516 3.803 10 0 GHAERN COc1ccccc1[C@@H](N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccn1 ZINC000186304054 883630826 /nfs/dbraw/zinc/63/08/26/883630826.db2.gz XAWVMWRHUNUMOB-PGRDOPGGSA-N 0 0 394.496 3.688 10 0 GHAERN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(O)cccc21 ZINC000186324440 883632797 /nfs/dbraw/zinc/63/27/97/883632797.db2.gz FNXDPOBSENVYCU-OAHLLOKOSA-N 0 0 396.462 3.924 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](c3ccccc3)c3cccnc3)ccc2NC1=O ZINC000186592568 883667601 /nfs/dbraw/zinc/66/76/01/883667601.db2.gz XEJIGASADOTGSO-HXUWFJFHSA-N 0 0 387.443 3.970 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186617376 883674998 /nfs/dbraw/zinc/67/49/98/883674998.db2.gz KZYPVXPHBGOZCQ-MSOLQXFVSA-N 0 0 386.496 3.865 10 0 GHAERN Cc1cc([C@H]2CN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CCO2)ccc1F ZINC000186640360 883678812 /nfs/dbraw/zinc/67/88/12/883678812.db2.gz YWCTYJZOBLYQDF-LJQANCHMSA-N 0 0 398.438 3.717 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3OC3CCC3)ccc2NC1=O ZINC000186657462 883682403 /nfs/dbraw/zinc/68/24/03/883682403.db2.gz LQSRRJMICLXQNE-UHFFFAOYSA-N 0 0 380.448 3.917 10 0 GHAERN CC(C)c1nc(CCNC(=O)N2CCC(Nc3nccs3)CC2)cs1 ZINC000186794471 883703683 /nfs/dbraw/zinc/70/36/83/883703683.db2.gz RXZOUFQIPHDGRE-UHFFFAOYSA-N 0 0 379.555 3.552 10 0 GHAERN CCc1ccc([C@@H]2COCCN2C(=O)Nc2c(C)csc2C(=O)OC)o1 ZINC000186807443 883707455 /nfs/dbraw/zinc/70/74/55/883707455.db2.gz PJVNPDHALCWLHO-ZDUSSCGKSA-N 0 0 378.450 3.604 10 0 GHAERN COc1cc(C)c(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1F ZINC000186830352 883709797 /nfs/dbraw/zinc/70/97/97/883709797.db2.gz YBTZEGDBCOKONX-UHFFFAOYSA-N 0 0 391.468 3.584 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H](c3cnn(C)c3)c3ccc(F)cc3)nc21 ZINC000186874173 883726231 /nfs/dbraw/zinc/72/62/31/883726231.db2.gz DICLQYQFIOYGCQ-JOCHJYFZSA-N 0 0 391.450 3.582 10 0 GHAERN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000187248015 883774031 /nfs/dbraw/zinc/77/40/31/883774031.db2.gz AQLYGRIDHYSJJQ-KRWDZBQOSA-N 0 0 392.425 3.649 10 0 GHAERN COc1cc(CNc2ccc3c(c2)CN(C)C(=O)N3)c(Br)cc1O ZINC000187484780 883793608 /nfs/dbraw/zinc/79/36/08/883793608.db2.gz VLIWTWQZTKXBIS-UHFFFAOYSA-N 0 0 392.253 3.753 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)Cc1ccc(OC(C)C)cc1)c1noc(C)n1 ZINC000188007874 883818909 /nfs/dbraw/zinc/81/89/09/883818909.db2.gz SBWSTQABPWTXHW-OAQYLSRUSA-N 0 0 395.459 3.622 10 0 GHAERN Cc1cc(CNC(=O)N2CCC(n3cncn3)CC2)ccc1-c1ccccc1 ZINC000188061606 883821312 /nfs/dbraw/zinc/82/13/12/883821312.db2.gz UPMGGECMQGGGGI-UHFFFAOYSA-N 0 0 375.476 3.800 10 0 GHAERN C[C@](O)(CCNC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000188362143 883836924 /nfs/dbraw/zinc/83/69/24/883836924.db2.gz RNMJOCDBDLOGME-LQWHRVPQSA-N 0 0 388.533 3.643 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000188380119 883837847 /nfs/dbraw/zinc/83/78/47/883837847.db2.gz JNEQYSUEZBHRCO-UHFFFAOYSA-N 0 0 377.419 3.821 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000188565596 883858051 /nfs/dbraw/zinc/85/80/51/883858051.db2.gz MPCPCKYKIAHPEZ-FQEVSTJZSA-N 0 0 393.487 3.879 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(Br)cc1)[C@H]2C ZINC000188776621 883871902 /nfs/dbraw/zinc/87/19/02/883871902.db2.gz WEYLTAHEFJWSQU-PPGNKHEKSA-N 0 0 389.297 3.781 10 0 GHAERN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2c(c1)NC(=O)C2 ZINC000188759470 883880201 /nfs/dbraw/zinc/88/02/01/883880201.db2.gz ZUXBZOZNJFBIEZ-FQEVSTJZSA-N 0 0 377.831 3.749 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000188912268 883883646 /nfs/dbraw/zinc/88/36/46/883883646.db2.gz IWIIIVVZRATQMY-HNNXBMFYSA-N 0 0 381.501 3.536 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000102613915 883893752 /nfs/dbraw/zinc/89/37/52/883893752.db2.gz DCBWAAJCDRUTQI-UHFFFAOYSA-N 0 0 383.883 3.687 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3cccc(C(C)(F)F)c3)CC2)n1 ZINC000189026636 883899387 /nfs/dbraw/zinc/89/93/87/883899387.db2.gz LBCVWSWIJNZJOR-UHFFFAOYSA-N 0 0 391.422 3.705 10 0 GHAERN CCCCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)c(C)c1 ZINC000189276292 883926763 /nfs/dbraw/zinc/92/67/63/883926763.db2.gz IFJJEAUEJADHFV-UHFFFAOYSA-N 0 0 394.431 3.801 10 0 GHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189368930 883941239 /nfs/dbraw/zinc/94/12/39/883941239.db2.gz KYLUQARRRFNKRB-ZDUSSCGKSA-N 0 0 376.448 3.850 10 0 GHAERN CC(C)(C)OC(=O)NCc1cc(C(=O)Nc2cccc(-c3ncon3)c2)co1 ZINC000189411868 883953384 /nfs/dbraw/zinc/95/33/84/883953384.db2.gz DKYFWSZRCOLTNH-UHFFFAOYSA-N 0 0 384.392 3.607 10 0 GHAERN CCOC(=O)c1c(C)[nH]c(C(=O)N2CC3(CCOCC3)c3ccccc32)c1C ZINC000189781661 883995509 /nfs/dbraw/zinc/99/55/09/883995509.db2.gz BDGFBNQBCRNXEI-UHFFFAOYSA-N 0 0 382.460 3.517 10 0 GHAERN C[C@H](CC(=O)N1CC2(CCOCC2)c2ccccc21)NC(=O)C1CCCCC1 ZINC000189807830 884012531 /nfs/dbraw/zinc/01/25/31/884012531.db2.gz WQSZDWSXXWLAMD-QGZVFWFLSA-N 0 0 384.520 3.557 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccnn2-c2cc(C)ccn2)C12CCCC2 ZINC000189818704 884013826 /nfs/dbraw/zinc/01/38/26/884013826.db2.gz AQPKTATYQMSYHT-IAGOWNOFSA-N 0 0 383.496 3.777 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000190133242 884047711 /nfs/dbraw/zinc/04/77/11/884047711.db2.gz ZRSLJRAIXLEQDT-HUUCEWRRSA-N 0 0 398.385 3.867 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1S(C)(=O)=O ZINC000190274606 884062794 /nfs/dbraw/zinc/06/27/94/884062794.db2.gz XLMWNUWKAJVTKX-HNNXBMFYSA-N 0 0 393.455 3.697 10 0 GHAERN O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190277877 884063010 /nfs/dbraw/zinc/06/30/10/884063010.db2.gz WWPOMKUAOGKPNJ-ZDUSSCGKSA-N 0 0 387.386 3.947 10 0 GHAERN O=C(c1ccc(Br)cc1F)N1CCC(Nc2nccs2)CC1 ZINC000190385975 884075679 /nfs/dbraw/zinc/07/56/79/884075679.db2.gz VUFFEBYDWZGBIP-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC([C@H]3CCCO3)CC2)c1C ZINC000190409405 884077888 /nfs/dbraw/zinc/07/78/88/884077888.db2.gz IFYGFWGSFOKZFK-MRXNPFEDSA-N 0 0 380.872 3.858 10 0 GHAERN O=C(c1cc(Br)ccc1F)N1CCC(Nc2nccs2)CC1 ZINC000190407134 884077976 /nfs/dbraw/zinc/07/79/76/884077976.db2.gz HDWKJZOVKXGHDB-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN COc1ccc(S[C@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190425379 884080711 /nfs/dbraw/zinc/08/07/11/884080711.db2.gz PEXPGWMKEOZMGJ-CYBMUJFWSA-N 0 0 377.535 3.735 10 0 GHAERN COCCOc1ccc(Cl)cc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190435495 884080769 /nfs/dbraw/zinc/08/07/69/884080769.db2.gz IDHPXJOZHBHMKX-UHFFFAOYSA-N 0 0 395.912 3.538 10 0 GHAERN Cc1nccn1CCCCNC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190842822 884115776 /nfs/dbraw/zinc/11/57/76/884115776.db2.gz UDTHYFQORZDWTI-INIZCTEOSA-N 0 0 376.451 3.839 10 0 GHAERN CC(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)Cc1ccccc1 ZINC000190747139 884120530 /nfs/dbraw/zinc/12/05/30/884120530.db2.gz XFWATCXGGALMLM-NRFANRHFSA-N 0 0 393.531 3.565 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cnn1C1CCOCC1 ZINC000191213543 884164281 /nfs/dbraw/zinc/16/42/81/884164281.db2.gz MXRBGTLHQDEIEW-OAHLLOKOSA-N 0 0 389.446 3.841 10 0 GHAERN O=C(NCc1ccc(C2CC2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000191323311 884173286 /nfs/dbraw/zinc/17/32/86/884173286.db2.gz MNQXZQFNUADDSX-UHFFFAOYSA-N 0 0 380.463 3.872 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CCO2)cn1 ZINC000191712845 884206417 /nfs/dbraw/zinc/20/64/17/884206417.db2.gz QWKYBVYLYDYZNX-LXXRFIIISA-N 0 0 379.382 3.535 10 0 GHAERN CCc1c(NC(=O)c2cnc3c(c2)ncn3C)cnn1-c1cccc(Cl)c1 ZINC000192129838 884241835 /nfs/dbraw/zinc/24/18/35/884241835.db2.gz ATXDSKNOHFIXHW-UHFFFAOYSA-N 0 0 380.839 3.622 10 0 GHAERN O=C(NCC1CCC2(CC1)OCCO2)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000192336736 884252712 /nfs/dbraw/zinc/25/27/12/884252712.db2.gz NTSTZCNPBYEWFP-QGZVFWFLSA-N 0 0 399.491 3.650 10 0 GHAERN COc1cc(SC)ccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000192649665 884274389 /nfs/dbraw/zinc/27/43/89/884274389.db2.gz QMFWHTKQTFKGJE-AWEZNQCLSA-N 0 0 397.504 3.871 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000102695726 884282112 /nfs/dbraw/zinc/28/21/12/884282112.db2.gz SFRSSHPLPOSVTI-LBPRGKRZSA-N 0 0 380.391 3.595 10 0 GHAERN CN1CCCc2cc(NC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 ZINC000064561647 884292681 /nfs/dbraw/zinc/29/26/81/884292681.db2.gz IOUCQRASQLZUSZ-UHFFFAOYSA-N 0 0 398.551 3.716 10 0 GHAERN C[C@@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000193257721 884334997 /nfs/dbraw/zinc/33/49/97/884334997.db2.gz QXXYTQKICREUMS-WBMJQRKESA-N 0 0 389.402 3.774 10 0 GHAERN O=C(Nc1ccc2ncsc2c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000193187113 884342216 /nfs/dbraw/zinc/34/22/16/884342216.db2.gz MJKAHRFQCJMSGH-CYBMUJFWSA-N 0 0 378.461 3.751 10 0 GHAERN Cc1ccccc1C[C@H](C)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000193387505 884347716 /nfs/dbraw/zinc/34/77/16/884347716.db2.gz YTQSWDQRPILKRP-HKUYNNGSSA-N 0 0 377.492 3.558 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCc3c(cccc3NC(C)=O)C2)cc1OC ZINC000193403735 884348579 /nfs/dbraw/zinc/34/85/79/884348579.db2.gz GFLVHWVQSUBBCC-PKNBQFBNSA-N 0 0 394.471 3.650 10 0 GHAERN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Cl)c(Cl)c1 ZINC000102748592 884401303 /nfs/dbraw/zinc/40/13/03/884401303.db2.gz QRBBNXIXOIZXNW-UHFFFAOYSA-N 0 0 378.208 3.720 10 0 GHAERN NC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000105401792 884753096 /nfs/dbraw/zinc/75/30/96/884753096.db2.gz ZWIHHGMJYKNJES-HOTGVXAUSA-N 0 0 379.685 3.906 10 0 GHAERN NC(=O)[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000105401790 884753539 /nfs/dbraw/zinc/75/35/39/884753539.db2.gz ZWIHHGMJYKNJES-HZPDHXFCSA-N 0 0 379.685 3.906 10 0 GHAERN COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N(C)Cc2ccc(F)cc2)C1=O ZINC000105521691 884799068 /nfs/dbraw/zinc/79/90/68/884799068.db2.gz IABGFEJQOUJVHV-KRWDZBQOSA-N 0 0 390.842 3.560 10 0 GHAERN Cc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2SC(C)C)n1 ZINC000105533738 884803551 /nfs/dbraw/zinc/80/35/51/884803551.db2.gz HCXKJKMFCNELHY-UHFFFAOYSA-N 0 0 377.897 3.799 10 0 GHAERN Cc1ccncc1NC(=O)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000105534647 884805272 /nfs/dbraw/zinc/80/52/72/884805272.db2.gz XEIZWGQFUFXMFX-UHFFFAOYSA-N 0 0 381.382 3.513 10 0 GHAERN O=C(NCCN1CCc2sccc2C1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180685 884821526 /nfs/dbraw/zinc/82/15/26/884821526.db2.gz RMYJGXSQOKWSSX-NRFANRHFSA-N 0 0 392.528 3.590 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)[C@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711497 884840886 /nfs/dbraw/zinc/84/08/86/884840886.db2.gz IVAWFMBTTDQICD-LJZMDLFKSA-N 0 0 393.852 3.567 10 0 GHAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000193538847 885237107 /nfs/dbraw/zinc/23/71/07/885237107.db2.gz IXPIZQPYGCOIMH-VXKWHMMOSA-N 0 0 392.499 3.529 10 0 GHAERN COc1ccc(CNC(=O)CSc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000003496103 885245644 /nfs/dbraw/zinc/24/56/44/885245644.db2.gz AQWHEZSUFKEWIB-UHFFFAOYSA-N 0 0 392.484 3.608 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000104328054 885393711 /nfs/dbraw/zinc/39/37/11/885393711.db2.gz VAMJNBRGACESQF-CQSZACIVSA-N 0 0 381.407 3.842 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cc(-c3ccncc3)on2)CC1 ZINC000102379182 885970346 /nfs/dbraw/zinc/97/03/46/885970346.db2.gz ZXJRLZWKGGTJOC-UHFFFAOYSA-N 0 0 377.444 3.840 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)Nc3c(C)cc(C)cc3C)n2)c1 ZINC000105689963 886019477 /nfs/dbraw/zinc/01/94/77/886019477.db2.gz IPAVANBKUCILHJ-NDEPHWFRSA-N 0 0 397.500 3.858 10 0 GHAERN Clc1nc2ccccc2cc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106151224 886026802 /nfs/dbraw/zinc/02/68/02/886026802.db2.gz AIKCESZGGSSOQT-UHFFFAOYSA-N 0 0 397.910 3.857 10 0 GHAERN COc1ccccc1C[C@@H](C)CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000107245691 886045538 /nfs/dbraw/zinc/04/55/38/886045538.db2.gz FRBBJCVKLBXLSB-QVKFZJNVSA-N 0 0 378.476 3.596 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nc(Cc2ccccc2)ns1 ZINC000107356379 886046874 /nfs/dbraw/zinc/04/68/74/886046874.db2.gz DJTMZBOQCAYDJK-HNNXBMFYSA-N 0 0 396.497 3.571 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CCC[C@@H]1CCc1ccccc1 ZINC000111784809 886237931 /nfs/dbraw/zinc/23/79/31/886237931.db2.gz PXJSMINMYYOODO-GOSISDBHSA-N 0 0 391.471 3.969 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000112307148 886258133 /nfs/dbraw/zinc/25/81/33/886258133.db2.gz JTHLEJYBCDSMCU-UHFFFAOYSA-N 0 0 397.525 3.860 10 0 GHAERN O=C(c1cnc2ccccc2c1O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218209 886286818 /nfs/dbraw/zinc/28/68/18/886286818.db2.gz GSFRPXKOHFELNL-KRWDZBQOSA-N 0 0 398.466 3.938 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1csc(-c2ccsc2)n1 ZINC000031607554 886297187 /nfs/dbraw/zinc/29/71/87/886297187.db2.gz RAIIWTZFGPPMMK-UHFFFAOYSA-N 0 0 397.525 3.906 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3csc(-c4ccsc4)n3)C2)n1 ZINC000116774943 886372895 /nfs/dbraw/zinc/37/28/95/886372895.db2.gz WZESNUHVBJIAPP-AWEZNQCLSA-N 0 0 387.534 3.632 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116970205 886374161 /nfs/dbraw/zinc/37/41/61/886374161.db2.gz HSRUNMRZJWEMDB-UHFFFAOYSA-N 0 0 382.508 3.599 10 0 GHAERN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4[C@@H]3C)n2)o1 ZINC000117585150 886386935 /nfs/dbraw/zinc/38/69/35/886386935.db2.gz HHSGOFRJDJYCHQ-BBATYDOGSA-N 0 0 397.456 3.542 10 0 GHAERN Cc1nc([C@@H](NC(=O)/C=C/c2ccnc3ccccc23)c2ccccc2F)no1 ZINC000117672368 886389971 /nfs/dbraw/zinc/38/99/71/886389971.db2.gz KHNJFMRKFXXOLN-ZJVMWOEPSA-N 0 0 388.402 3.984 10 0 GHAERN O=C(Nc1ccc(N2CCc3sccc3C2)cc1)[C@H]1CCCN1C(=O)C1CC1 ZINC000124248770 886723131 /nfs/dbraw/zinc/72/31/31/886723131.db2.gz OPECFOOWHPOYBU-LJQANCHMSA-N 0 0 395.528 3.650 10 0 GHAERN Cc1ccc(OCCCCNC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000124315574 886731115 /nfs/dbraw/zinc/73/11/15/886731115.db2.gz WSQLJBLSICNRQX-UHFFFAOYSA-N 0 0 384.524 3.552 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCC(C(F)(F)F)CC2)c2ccccc2F)no1 ZINC000124374595 886739014 /nfs/dbraw/zinc/73/90/14/886739014.db2.gz WRECXSSAGGWAAA-CQSZACIVSA-N 0 0 386.349 3.590 10 0 GHAERN COc1ccc(CN(C)C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1C ZINC000124440540 886750015 /nfs/dbraw/zinc/75/00/15/886750015.db2.gz GHKIAJJMTIBBCY-IBGZPJMESA-N 0 0 398.438 3.765 10 0 GHAERN CCCCn1nc(C)c(/C=C/C(=O)NCc2cccnc2-n2ccnc2)c1Cl ZINC000042497774 886787307 /nfs/dbraw/zinc/78/73/07/886787307.db2.gz PXNCBUCGAPBKHC-BQYQJAHWSA-N 0 0 398.898 3.555 10 0 GHAERN CC(C)(Oc1ccc(F)cc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000043046230 886827483 /nfs/dbraw/zinc/82/74/83/886827483.db2.gz YWSMQZGKSNNEBD-UHFFFAOYSA-N 0 0 390.499 3.671 10 0 GHAERN CC[C@@H](C)n1ncc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1C1CC1 ZINC000125889447 886908981 /nfs/dbraw/zinc/90/89/81/886908981.db2.gz PCGPCNDCLALAFW-MRXNPFEDSA-N 0 0 381.524 3.834 10 0 GHAERN CCOC(=O)c1cccnc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000044325574 886954800 /nfs/dbraw/zinc/95/48/00/886954800.db2.gz LEJWLBDLNBVVQI-AWEZNQCLSA-N 0 0 376.503 3.776 10 0 GHAERN O=C(COC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000044525212 886975514 /nfs/dbraw/zinc/97/55/14/886975514.db2.gz XKEZBTLCCVDDRN-UHFFFAOYSA-N 0 0 385.430 3.535 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000127885159 887114317 /nfs/dbraw/zinc/11/43/17/887114317.db2.gz GNHLHEIKACGFAA-INIZCTEOSA-N 0 0 391.581 3.812 10 0 GHAERN CO[C@H](C)c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000105032822 887294742 /nfs/dbraw/zinc/29/47/42/887294742.db2.gz JINRUHUJYUIABL-UTKZUKDTSA-N 0 0 395.503 3.749 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000129651048 887333673 /nfs/dbraw/zinc/33/36/73/887333673.db2.gz NWAUGADCFNKOKZ-YIANJXEMSA-N 0 0 392.421 3.721 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1OC ZINC000130686499 887462467 /nfs/dbraw/zinc/46/24/67/887462467.db2.gz CGVVPFKJHPRQIL-UHFFFAOYSA-N 0 0 377.387 3.666 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000048567777 887464324 /nfs/dbraw/zinc/46/43/24/887464324.db2.gz OTUQFEAFYHBAED-ZDUSSCGKSA-N 0 0 393.413 3.525 10 0 GHAERN CCNC(=O)c1ccc(C)c(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000131359335 887537573 /nfs/dbraw/zinc/53/75/73/887537573.db2.gz HPHPNOAJJUSVBT-UHFFFAOYSA-N 0 0 386.521 3.597 10 0 GHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000131484223 887548119 /nfs/dbraw/zinc/54/81/19/887548119.db2.gz RQYZYTZHKLBXAP-UHFFFAOYSA-N 0 0 386.521 3.549 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000134290596 887848860 /nfs/dbraw/zinc/84/88/60/887848860.db2.gz BFJNDESMKOJZBJ-AEFFLSMTSA-N 0 0 381.501 3.734 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c(C)n1C1CCCCC1 ZINC000134349910 887862227 /nfs/dbraw/zinc/86/22/27/887862227.db2.gz IIBSWNQQFCSOHK-RXVVDRJESA-N 0 0 398.551 3.929 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134383718 887865882 /nfs/dbraw/zinc/86/58/82/887865882.db2.gz VAQZRSDWABMYEE-SUMWQHHRSA-N 0 0 387.480 3.668 10 0 GHAERN CC(C)COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000052734951 887879061 /nfs/dbraw/zinc/87/90/61/887879061.db2.gz JWBLBZCKLHXVOC-UHFFFAOYSA-N 0 0 393.443 3.631 10 0 GHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000054562390 888014917 /nfs/dbraw/zinc/01/49/17/888014917.db2.gz AINAVDCRQIJPDP-IBGZPJMESA-N 0 0 375.476 3.773 10 0 GHAERN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCCOCCc3ccccc3)c2)n1 ZINC000053470202 888228363 /nfs/dbraw/zinc/22/83/63/888228363.db2.gz FKLRGKXIOFPXME-UHFFFAOYSA-N 0 0 391.471 3.723 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000137019049 888328425 /nfs/dbraw/zinc/32/84/25/888328425.db2.gz FTQQECCMHMDRMO-LJQANCHMSA-N 0 0 382.464 3.751 10 0 GHAERN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000137217553 888343706 /nfs/dbraw/zinc/34/37/06/888343706.db2.gz UKIZAQFEGJDJIG-UHFFFAOYSA-N 0 0 399.447 3.531 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccccc2F)CC1 ZINC000137355103 888348036 /nfs/dbraw/zinc/34/80/36/888348036.db2.gz JPFVNZZLJSSPGF-CYBMUJFWSA-N 0 0 393.384 3.988 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000057252124 888394138 /nfs/dbraw/zinc/39/41/38/888394138.db2.gz FKKSKGKPDSOYIL-JLHYYAGUSA-N 0 0 377.488 3.786 10 0 GHAERN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@@H]1CCCc2cccnc21 ZINC000194206238 888567886 /nfs/dbraw/zinc/56/78/86/888567886.db2.gz FHEFUDXMPONYOJ-GOSISDBHSA-N 0 0 396.512 3.605 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1)C1CCCCC1 ZINC000194757669 888618051 /nfs/dbraw/zinc/61/80/51/888618051.db2.gz ZBQSJVHYNVMRIW-YADHBBJMSA-N 0 0 398.547 3.842 10 0 GHAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000194868926 888626947 /nfs/dbraw/zinc/62/69/47/888626947.db2.gz PMYSYUGYVUJTCO-UXHICEINSA-N 0 0 398.528 3.591 10 0 GHAERN O=C(NCc1ccc(CO)c(F)c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000194911214 888630110 /nfs/dbraw/zinc/63/01/10/888630110.db2.gz YLBQUVJVWHKRPG-UHFFFAOYSA-N 0 0 383.423 3.548 10 0 GHAERN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000195508497 888683201 /nfs/dbraw/zinc/68/32/01/888683201.db2.gz BUQHPTVZVJQLIP-SFHVURJKSA-N 0 0 398.551 3.514 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000245438663 888751884 /nfs/dbraw/zinc/75/18/84/888751884.db2.gz YJMITQKPJKBUNY-LAUBAEHRSA-N 0 0 392.503 3.880 10 0 GHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245628457 889094264 /nfs/dbraw/zinc/09/42/64/889094264.db2.gz GZVGXCWXWUTUJY-CMKODMSKSA-N 0 0 379.504 3.527 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000245679688 889212548 /nfs/dbraw/zinc/21/25/48/889212548.db2.gz JUQBWDBLGOWNLX-DJIMGWMZSA-N 0 0 390.553 3.724 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762787 889666164 /nfs/dbraw/zinc/66/61/64/889666164.db2.gz IYBDIXCLXITWNN-SJLPKXTDSA-N 0 0 394.853 3.600 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245769906 889682193 /nfs/dbraw/zinc/68/21/93/889682193.db2.gz GJPJRORYSRYGLF-SSKCKEOISA-N 0 0 378.856 3.580 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2)C[C@H](C)O1 ZINC000245820571 889789221 /nfs/dbraw/zinc/78/92/21/889789221.db2.gz LTUYLJMZSYCAER-FUHIMQAGSA-N 0 0 399.560 3.772 10 0 GHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245904723 889984655 /nfs/dbraw/zinc/98/46/55/889984655.db2.gz AOKSUUFQXUDCNA-LVCYWYKZSA-N 0 0 398.551 3.771 10 0 GHAERN O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000067564101 891155329 /nfs/dbraw/zinc/15/53/29/891155329.db2.gz MTWHRFOHYLGYOH-UXHICEINSA-N 0 0 387.499 3.506 10 0 GHAERN CC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)Oc2cccc(C=O)c2)n[nH]1 ZINC000068304012 891175110 /nfs/dbraw/zinc/17/51/10/891175110.db2.gz QWTSHPLHSBBXPH-AWEZNQCLSA-N 0 0 378.432 3.814 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000068304752 891175214 /nfs/dbraw/zinc/17/52/14/891175214.db2.gz VCHFQQVHUOVVHT-OAHLLOKOSA-N 0 0 377.444 3.549 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000070751482 891218883 /nfs/dbraw/zinc/21/88/83/891218883.db2.gz BYAGLNJHUJTBOY-RMKNXTFCSA-N 0 0 394.437 3.970 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246570267 891287492 /nfs/dbraw/zinc/28/74/92/891287492.db2.gz VJEWYIMUFPSORO-GUDVDZBRSA-N 0 0 397.437 3.996 10 0 GHAERN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000246618040 891293322 /nfs/dbraw/zinc/29/33/22/891293322.db2.gz VRMGHODVMVLLJG-HBMCJLEFSA-N 0 0 393.874 3.782 10 0 GHAERN COc1ccc(-c2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)c(OC)c1 ZINC000246619618 891293390 /nfs/dbraw/zinc/29/33/90/891293390.db2.gz DZRNPVBHCVFENT-AEFFLSMTSA-N 0 0 392.546 3.534 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1C(=O)NC(C)C ZINC000246706664 891300285 /nfs/dbraw/zinc/30/02/85/891300285.db2.gz NHIBVWKTQRRAMI-QXAKKESOSA-N 0 0 385.508 3.602 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2CCN2CCC[C@H]2c2noc(C(C)C)n2)no1 ZINC000246777943 891305214 /nfs/dbraw/zinc/30/52/14/891305214.db2.gz PQRQSIFGLIADEG-HOTGVXAUSA-N 0 0 388.516 3.673 10 0 GHAERN COc1cc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc(OC)c1OC(F)F ZINC000247059846 891339109 /nfs/dbraw/zinc/33/91/09/891339109.db2.gz UWCJJYHPMWDSCS-IIDMSEBBSA-N 0 0 389.398 3.621 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247057691 891340677 /nfs/dbraw/zinc/34/06/77/891340677.db2.gz OYLHMVAYAPQXNU-ZPMCFJSWSA-N 0 0 378.520 3.743 10 0 GHAERN c1csc([C@H]2CN(CCCN3CCO[C@@H](c4cccs4)C3)CCO2)c1 ZINC000247371073 891372098 /nfs/dbraw/zinc/37/20/98/891372098.db2.gz KQZDLXJPEKLAJC-IAGOWNOFSA-N 0 0 378.563 3.647 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000248244135 891417854 /nfs/dbraw/zinc/41/78/54/891417854.db2.gz KWPDAPDBNJHYLQ-OAQYLSRUSA-N 0 0 378.472 3.795 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000248723660 891461517 /nfs/dbraw/zinc/46/15/17/891461517.db2.gz MNXNPVYFAYTURX-UAOJZALGSA-N 0 0 375.488 3.839 10 0 GHAERN CCOC(=O)c1csc([C@H]2CCCN2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814654 891471586 /nfs/dbraw/zinc/47/15/86/891471586.db2.gz UBXPEEHULOWTLI-HZPDHXFCSA-N 0 0 380.897 3.844 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)CC1(c2ccccc2)CC1 ZINC000249089988 891494009 /nfs/dbraw/zinc/49/40/09/891494009.db2.gz GKCHMXHNKMVLJG-SIKLNZKXSA-N 0 0 392.547 3.665 10 0 GHAERN C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000252830870 891760506 /nfs/dbraw/zinc/76/05/06/891760506.db2.gz RQZPSUQMJNVLSB-JHVJFLLYSA-N 0 0 379.456 3.516 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000163024235 893074384 /nfs/dbraw/zinc/07/43/84/893074384.db2.gz WZILRFKHVGNCTF-XHDPSFHLSA-N 0 0 396.361 3.635 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)c2ccccc21 ZINC000332968187 893386202 /nfs/dbraw/zinc/38/62/02/893386202.db2.gz SDCQFVWDJLBZEC-XHDPSFHLSA-N 0 0 375.266 3.847 10 0 GHAERN C[C@@]1(F)CNCCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000333255830 901946123 /nfs/dbraw/zinc/94/61/23/901946123.db2.gz DFCSAYZOFROFAR-FOIQADDNSA-N 0 0 388.512 3.581 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)NC[C@@H]3C[C@@H](C(C)C)c4ccccc43)CCO2)cn1 ZINC000333312604 901996995 /nfs/dbraw/zinc/99/69/95/901996995.db2.gz NTYCCAMXNAXTKW-HSQYWUDLSA-N 0 0 396.535 3.913 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@@H](c4ccccc4)CC3)O2)n1 ZINC000333759226 902313932 /nfs/dbraw/zinc/31/39/32/902313932.db2.gz VFSOIWAPJOBVKR-QRVBRYPASA-N 0 0 384.480 3.577 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccccc1Br)C2 ZINC000182861878 907279432 /nfs/dbraw/zinc/27/94/32/907279432.db2.gz NDFDHDMAZNDDSW-UHFFFAOYSA-N 0 0 377.286 3.896 10 0 GHAERN CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000183071612 907322446 /nfs/dbraw/zinc/32/24/46/907322446.db2.gz OROAOJQFLHCZTO-SFHVURJKSA-N 0 0 398.511 3.826 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cs1 ZINC000187118034 908041773 /nfs/dbraw/zinc/04/17/73/908041773.db2.gz AWSHMDQDSOYANK-KRWDZBQOSA-N 0 0 381.505 3.896 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(F)cc1F ZINC000187123517 908041787 /nfs/dbraw/zinc/04/17/87/908041787.db2.gz HJKVFKXOMRUANB-WMZOPIPTSA-N 0 0 393.459 3.661 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188754460 908244392 /nfs/dbraw/zinc/24/43/92/908244392.db2.gz TZSGVRVLUUDTJG-PXAZEXFGSA-N 0 0 388.493 3.794 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000189070792 908279442 /nfs/dbraw/zinc/27/94/42/908279442.db2.gz HGPLADAJIAPZGJ-GFCCVEGCSA-N 0 0 386.200 3.605 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000190009768 908402392 /nfs/dbraw/zinc/40/23/92/908402392.db2.gz XTPWLZBDXQKAGC-RHSMWYFYSA-N 0 0 391.427 3.604 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000190026035 908406467 /nfs/dbraw/zinc/40/64/67/908406467.db2.gz ZJMIDLJKHNLQHG-IUODEOHRSA-N 0 0 387.823 3.894 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000190057796 908414746 /nfs/dbraw/zinc/41/47/46/908414746.db2.gz AYHRLTLSGQEUHE-YPMHNXCESA-N 0 0 387.383 3.592 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000190069053 908419027 /nfs/dbraw/zinc/41/90/27/908419027.db2.gz IPMVSWGPHSWAEJ-VQIMIIECSA-N 0 0 391.427 3.809 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 ZINC000190114005 908429739 /nfs/dbraw/zinc/42/97/39/908429739.db2.gz ISNZJNKDZUSYBA-NVXWUHKLSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N(C)C2CCCC2)C1 ZINC000190134542 908435436 /nfs/dbraw/zinc/43/54/36/908435436.db2.gz GSPQWAVYRAFWLF-VQIMIIECSA-N 0 0 399.495 3.751 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000191585452 908646527 /nfs/dbraw/zinc/64/65/27/908646527.db2.gz YIKZMDNQJYZEQF-SJCJKPOMSA-N 0 0 380.851 3.540 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000192371635 908770406 /nfs/dbraw/zinc/77/04/06/908770406.db2.gz NMNREJWNMFITCM-DOPJRALCSA-N 0 0 386.496 3.908 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCSc4ccccc43)CCO2)n1 ZINC000194019297 908909875 /nfs/dbraw/zinc/90/98/75/908909875.db2.gz NGPILMYEMFWQBE-CABCVRRESA-N 0 0 375.519 3.772 10 0 GHAERN Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)CCc1ccc(F)cc1 ZINC000103816022 911181472 /nfs/dbraw/zinc/18/14/72/911181472.db2.gz ULIRRAMRDXMEPZ-IBGZPJMESA-N 0 0 386.467 3.725 10 0 GHAERN COc1cccc([C@@H](NC(=O)N(C)Cc2ccccc2C)c2nccn2C)c1 ZINC000361582734 916805712 /nfs/dbraw/zinc/80/57/12/916805712.db2.gz NDKSYACGQMWJMO-HXUWFJFHSA-N 0 0 378.476 3.668 10 0 GHAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@H]1C[C@@H]1CCCc2ccccc21 ZINC000365140930 920426292 /nfs/dbraw/zinc/42/62/92/920426292.db2.gz XPHWGHKVKSVKDT-IRXDYDNUSA-N 0 0 376.460 3.550 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000185253318 1014577176 /nfs/dbraw/zinc/57/71/76/1014577176.db2.gz BJBYGAZFTZBXGF-LHSJRXKWSA-N 0 0 399.466 3.727 10 0 GHAERN O=C1C(=Cc2ccc(Br)s2)NC(=S)N1c1ccc(F)cc1 ZINC000035657300 230922834 /nfs/dbraw/zinc/92/28/34/230922834.db2.gz HYTODPSPASSBBJ-YRNVUSSQSA-N 0 0 383.267 3.912 10 0 GHAERN CCCN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000004672671 204062079 /nfs/dbraw/zinc/06/20/79/204062079.db2.gz OBDAPYFEZLYYMU-NRFANRHFSA-N 0 0 388.508 3.549 10 0 GHAERN CCCN(CCC)C(=O)CS(=O)(=O)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000005058399 204108336 /nfs/dbraw/zinc/10/83/36/204108336.db2.gz VRIVDBQSUUVZEB-UHFFFAOYSA-N 0 0 392.521 3.522 10 0 GHAERN COc1cccc(OC)c1C(=O)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O ZINC000005697484 204147663 /nfs/dbraw/zinc/14/76/63/204147663.db2.gz HPPSNOXHVKDGNF-UHFFFAOYSA-N 0 0 382.368 3.540 10 0 GHAERN Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000006029614 204161815 /nfs/dbraw/zinc/16/18/15/204161815.db2.gz KGFACBXTOKAQCI-NEAWWFDSSA-N 0 0 387.435 3.568 10 0 GHAERN CCN(CCNC(=O)c1ccc(C[S@](=O)c2ccccc2)o1)c1ccccc1 ZINC000006746370 204198873 /nfs/dbraw/zinc/19/88/73/204198873.db2.gz HVKMXKCBDOQTAP-MUUNZHRXSA-N 0 0 396.512 3.844 10 0 GHAERN CCOc1ccc2nc(Cl)c(CN(CCOC)C(=O)c3ccncc3)cc2c1 ZINC000006949785 204227587 /nfs/dbraw/zinc/22/75/87/204227587.db2.gz VGKGGPWMDJZXMB-UHFFFAOYSA-N 0 0 399.878 3.971 10 0 GHAERN C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1Br ZINC000007306131 204239275 /nfs/dbraw/zinc/23/92/75/204239275.db2.gz HUAIAUNEHXYQAF-SECBINFHSA-N 0 0 376.222 3.767 10 0 GHAERN Cc1cccc(N2CCN(c3nncc(-c4ccc5ccccc5c4)n3)CC2)n1 ZINC000011841988 204357069 /nfs/dbraw/zinc/35/70/69/204357069.db2.gz NYUICFUYXLDHQD-UHFFFAOYSA-N 0 0 382.471 3.722 10 0 GHAERN O=C(NC[C@H]1Cc2cc(-c3cncnc3)ccc2O1)c1scc2c1CCCC2 ZINC000012040808 204368921 /nfs/dbraw/zinc/36/89/21/204368921.db2.gz GTPXHZRVOZURPY-GOSISDBHSA-N 0 0 391.496 3.817 10 0 GHAERN CCCCc1nc2cc(C(=O)N3CCC(CN4CCCC4=O)CC3)ccc2o1 ZINC000012050979 204369125 /nfs/dbraw/zinc/36/91/25/204369125.db2.gz SNUBSZZWIRGEEE-UHFFFAOYSA-N 0 0 383.492 3.645 10 0 GHAERN COc1ccc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c(C)nc2c1 ZINC000014701234 204538810 /nfs/dbraw/zinc/53/88/10/204538810.db2.gz KYQJOYKTLUNZPO-ZDUSSCGKSA-N 0 0 378.428 3.814 10 0 GHAERN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2)cc1 ZINC000020319176 204709817 /nfs/dbraw/zinc/70/98/17/204709817.db2.gz JFIUMAGPGVXXRM-OAQYLSRUSA-N 0 0 375.428 3.866 10 0 GHAERN CCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000021705776 204762059 /nfs/dbraw/zinc/76/20/59/204762059.db2.gz OCUHPXLFQDPTKH-GOSISDBHSA-N 0 0 399.535 3.726 10 0 GHAERN O=C(/C=C\c1ccc(OCCCF)cc1)Nc1ccnc(-c2ccncc2)n1 ZINC000033896698 204968706 /nfs/dbraw/zinc/96/87/06/204968706.db2.gz HWBPTFXLSJJCSJ-DAXSKMNVSA-N 0 0 378.407 3.929 10 0 GHAERN CC(C)C(=O)Nc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)C(=O)[C@@H](C)O2 ZINC000035909500 204998955 /nfs/dbraw/zinc/99/89/55/204998955.db2.gz LHTOJIOYVBZLGV-CYBMUJFWSA-N 0 0 388.414 3.869 10 0 GHAERN CCOC(=O)C(Cc1ccccc1F)(Cc1ccccc1F)C(=O)OCC ZINC000038536781 205037477 /nfs/dbraw/zinc/03/74/77/205037477.db2.gz HBHRHTJSQFWASL-UHFFFAOYSA-N 0 0 376.399 3.863 10 0 GHAERN COc1ccccc1NC(=O)C=C(C)c1c(C)[nH]c2c(OC)cccc2c1=O ZINC000038537231 205037853 /nfs/dbraw/zinc/03/78/53/205037853.db2.gz DRIRBMCODRUJKT-SEYXRHQNSA-N 0 0 378.428 3.896 10 0 GHAERN C[C@@H](C(=O)NN1CCCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000038806905 205038357 /nfs/dbraw/zinc/03/83/57/205038357.db2.gz JLJNXXAJRBPRHW-AWEZNQCLSA-N 0 0 389.858 3.641 10 0 GHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000044416201 205084386 /nfs/dbraw/zinc/08/43/86/205084386.db2.gz MYOHYPGQYZVOMJ-AHIWAGSCSA-N 0 0 381.303 3.714 10 0 GHAERN Nc1c(Nc2ccccn2)ncnc1Nc1ccc(Br)cc1F ZINC000040779121 205071072 /nfs/dbraw/zinc/07/10/72/205071072.db2.gz VPWKVMDDCKKWLQ-UHFFFAOYSA-N 0 0 375.205 3.843 10 0 GHAERN COc1ccc(CN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C2CC2)cc1 ZINC000052952881 205134838 /nfs/dbraw/zinc/13/48/38/205134838.db2.gz QALRFGVHOCLHOR-KRWDZBQOSA-N 0 0 388.508 3.833 10 0 GHAERN COc1cc([C@H]2CC(c3ccc(Br)cc3)=NN2)cc(OC)c1OC ZINC000058592303 205175945 /nfs/dbraw/zinc/17/59/45/205175945.db2.gz GIYZIGUWIAYXMS-OAHLLOKOSA-N 0 0 391.265 3.914 10 0 GHAERN Cc1cc2[nH]c(C(=O)NCc3ccccc3C)c(CN3CCOCC3)c2s1 ZINC000065139021 205212934 /nfs/dbraw/zinc/21/29/34/205212934.db2.gz NSTXWZQYKCCZRQ-UHFFFAOYSA-N 0 0 383.517 3.608 10 0 GHAERN COc1ccc(-c2nc(-c3ccc(C(=O)NCc4ccccn4)s3)no2)cc1 ZINC000065305647 205227719 /nfs/dbraw/zinc/22/77/19/205227719.db2.gz YXCAJKHTGRRJID-UHFFFAOYSA-N 0 0 392.440 3.799 10 0 GHAERN Cc1ccccc1CC(=O)N[C@@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209618 205218667 /nfs/dbraw/zinc/21/86/67/205218667.db2.gz VPBPSSROFIWGQA-OAQYLSRUSA-N 0 0 390.487 3.817 10 0 GHAERN CCNC(=O)c1ccnc(N2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000067714874 205256766 /nfs/dbraw/zinc/25/67/66/205256766.db2.gz QICJMKOHDKELNA-QGZVFWFLSA-N 0 0 393.466 3.745 10 0 GHAERN CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2O)ncn1 ZINC000071973741 205300813 /nfs/dbraw/zinc/30/08/13/205300813.db2.gz YNADFEGFUROIDY-NTCAYCPXSA-N 0 0 394.383 3.927 10 0 GHAERN COc1ccc(COCc2cc(=O)c(OCc3ccc(OC)cc3)c[nH]2)cc1 ZINC000072202822 205318737 /nfs/dbraw/zinc/31/87/37/205318737.db2.gz PNJPROPKBQGPAL-UHFFFAOYSA-N 0 0 381.428 3.688 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](C[S@](=O)Cc2cnc(Cl)s2)C1 ZINC000095085660 205437586 /nfs/dbraw/zinc/43/75/86/205437586.db2.gz OGJOCMWFKCLPBY-BSNNYGBQSA-N 0 0 378.947 3.692 10 0 GHAERN Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)o1 ZINC000064662805 136157350 /nfs/dbraw/zinc/15/73/50/136157350.db2.gz GWFXHTQPEAXQHL-LJQANCHMSA-N 0 0 390.487 3.886 10 0 GHAERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC(=O)OCc3ccccc3)[C@@]2(F)C1 ZINC000306950364 526427173 /nfs/dbraw/zinc/42/71/73/526427173.db2.gz YRULFPYQAOEHCA-RZQQEMMASA-N 0 0 378.444 3.650 10 0 GHAERN COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@H]3N(C)CC2 ZINC000014645567 560223663 /nfs/dbraw/zinc/22/36/63/560223663.db2.gz SXGHNTVPXYHQSN-CQSZACIVSA-N 0 0 385.460 3.569 10 0 in-vitro GHAERN O=C(Nc1ccccc1O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000035553625 570395494 /nfs/dbraw/zinc/39/54/94/570395494.db2.gz USFWBEMEUCRAGO-UHFFFAOYSA-N 0 0 388.832 3.526 10 0 GHAERN CCCC[C@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC ZINC000078278561 570444573 /nfs/dbraw/zinc/44/45/73/570444573.db2.gz OJLOPKGSLYJEMD-BVVMOGRCSA-N 0 0 382.541 3.954 10 0 in-vitro GHAERN CCOC(=O)[C@@H](C)Nc1ccc(C(=O)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000536554708 570465204 /nfs/dbraw/zinc/46/52/04/570465204.db2.gz UTJMLSHWMYNNCS-MRXNPFEDSA-N 0 0 394.471 3.517 10 0 GHAERN CCOC(=O)[C@H](C)Nc1ccc(C(=O)c2ccccc2)cc1C(=O)N1CCCC1 ZINC000536554707 570465421 /nfs/dbraw/zinc/46/54/21/570465421.db2.gz UTJMLSHWMYNNCS-INIZCTEOSA-N 0 0 394.471 3.517 10 0 GHAERN CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000583615187 570800433 /nfs/dbraw/zinc/80/04/33/570800433.db2.gz PVQUAZOAOZKDFS-BBWFWOEESA-N 0 0 388.899 3.642 10 0 GHAERN CC[C@H](C)N(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)CC(C)C ZINC000102847016 570867292 /nfs/dbraw/zinc/86/72/92/570867292.db2.gz HWSCSLAVVONCRX-HNNXBMFYSA-N 0 0 389.496 3.970 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000105094721 837517195 /nfs/dbraw/zinc/51/71/95/837517195.db2.gz XWCRCCVBSTUXAK-FUHWJXTLSA-N 0 0 397.479 3.878 10 0 GHAERN NC(=O)[C@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1 ZINC000105400647 837545624 /nfs/dbraw/zinc/54/56/24/837545624.db2.gz OLAFDQMRKAOMHH-ZWKOTPCHSA-N 0 0 385.261 3.948 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000105986771 837671549 /nfs/dbraw/zinc/67/15/49/837671549.db2.gz QBCFTEHSGNTFAD-OAHLLOKOSA-N 0 0 399.516 3.834 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)NCc3ccc(OC4CCCCC4)cc3)C2)cn1 ZINC000116541545 834359722 /nfs/dbraw/zinc/35/97/22/834359722.db2.gz IDTQQIIIFZQHJN-SFHVURJKSA-N 0 0 382.508 3.831 10 0 GHAERN O=C(CN1CCO[C@H]2CCCC[C@H]21)N1c2ccccc2NC(=O)C12CCCC2 ZINC000329143199 834444509 /nfs/dbraw/zinc/44/45/09/834444509.db2.gz LWGYCNKNSFDSJM-MOPGFXCFSA-N 0 0 383.492 3.577 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc([S@@](C)=O)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000245464175 834616307 /nfs/dbraw/zinc/61/63/07/834616307.db2.gz HSGOEYZCSMVWJC-CTZXUXIISA-N 0 0 376.453 3.557 10 0 GHAERN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2F)n1N ZINC000003438989 834647867 /nfs/dbraw/zinc/64/78/67/834647867.db2.gz YAUAFQWESCURFN-UHFFFAOYSA-N 0 0 399.495 3.654 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067061527 834705683 /nfs/dbraw/zinc/70/56/83/834705683.db2.gz HHTLDNFQQGOTML-QZTJIDSGSA-N 0 0 380.444 3.828 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)n1 ZINC000110894701 834800515 /nfs/dbraw/zinc/80/05/15/834800515.db2.gz UCZKQPZLYLGCLM-CQSZACIVSA-N 0 0 388.537 3.618 10 0 GHAERN C[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000588612767 834874898 /nfs/dbraw/zinc/87/48/98/834874898.db2.gz XGYFPVQRCAHNDY-ZZKXABKFSA-N 0 0 375.822 3.527 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000588582708 835048654 /nfs/dbraw/zinc/04/86/54/835048654.db2.gz NQFNLIOUOCEZBG-SQFISAMPSA-N 0 0 376.435 3.996 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3CCC(C)(C)C[C@H]3C)CC2)no1 ZINC000175849966 835065340 /nfs/dbraw/zinc/06/53/40/835065340.db2.gz NUTSZJWFPSAHOV-CZUORRHYSA-N 0 0 376.501 3.558 10 0 GHAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H]2CC(C)(C)CCc3ccccc32)cnn1C ZINC000333096413 844014150 /nfs/dbraw/zinc/01/41/50/844014150.db2.gz PERWCAZWOUSRPL-PCCBWWKXSA-N 0 0 396.535 3.962 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246900501 835132968 /nfs/dbraw/zinc/13/29/68/835132968.db2.gz FGOHYORRCNTNCD-YEWWUXTCSA-N 0 0 381.314 3.847 10 0 GHAERN CCC(CC)n1ncc(C(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c1C ZINC000187286298 835207736 /nfs/dbraw/zinc/20/77/36/835207736.db2.gz JZTZZFYKXCTTSN-UHFFFAOYSA-N 0 0 398.555 3.737 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000247778492 835266103 /nfs/dbraw/zinc/26/61/03/835266103.db2.gz RHGDHKMZMQYNNH-PBHICJAKSA-N 0 0 391.313 3.618 10 0 GHAERN COC(=O)C[C@H](C)[S@@](=O)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000158381408 835339934 /nfs/dbraw/zinc/33/99/34/835339934.db2.gz MFHBGPQTZJAZRO-UXMMLNGASA-N 0 0 375.368 3.561 10 0 GHAERN CCn1nc(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)c(=O)c2ccccc21 ZINC000329627524 835453483 /nfs/dbraw/zinc/45/34/83/835453483.db2.gz UHAZMJSAHADLLW-HNNXBMFYSA-N 0 0 396.516 3.510 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)N1CC[C@]2(CCOC2)C1 ZINC000158612552 835472867 /nfs/dbraw/zinc/47/28/67/835472867.db2.gz KFPKXSYXVRTLRW-SFHVURJKSA-N 0 0 395.290 3.883 10 0 GHAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)C1CCC1 ZINC000104420849 835537991 /nfs/dbraw/zinc/53/79/91/835537991.db2.gz NRJZKPFYAAYSID-IBGZPJMESA-N 0 0 377.893 3.771 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(n2cncn2)CC1 ZINC000102026242 835778834 /nfs/dbraw/zinc/77/88/34/835778834.db2.gz CXWIEZWHXNIHHZ-UHFFFAOYSA-N 0 0 377.448 3.617 10 0 GHAERN O=C([C@H]1CCCN1c1ncnc2sccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000245995960 835852246 /nfs/dbraw/zinc/85/22/46/835852246.db2.gz BHYUWQFKPXOFPK-UKRRQHHQSA-N 0 0 399.545 3.523 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@@H]1CCSc2c(F)cccc21 ZINC000246215425 836034733 /nfs/dbraw/zinc/03/47/33/836034733.db2.gz CNUNHLJZWFCLLV-DWQUBVKVSA-N 0 0 382.526 3.717 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000246268431 836155326 /nfs/dbraw/zinc/15/53/26/836155326.db2.gz AVTAHMUQJYNMDO-KFWWJZLASA-N 0 0 391.302 3.672 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cc(-c3ccccc3Cl)n[nH]1)C2 ZINC000112671020 836199665 /nfs/dbraw/zinc/19/96/65/836199665.db2.gz ZTZMUZFTNQSJAB-UHFFFAOYSA-N 0 0 383.883 3.786 10 0 GHAERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)C(C)C ZINC000332789729 836625975 /nfs/dbraw/zinc/62/59/75/836625975.db2.gz KSBAMQUPADCVLE-MISYRCLQSA-N 0 0 385.508 3.553 10 0 GHAERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@@H]4C3)C[C@H]2CO)cn1 ZINC000332792292 836631237 /nfs/dbraw/zinc/63/12/37/836631237.db2.gz MBCKDBQMYPXURN-SYGLAOGMSA-N 0 0 388.556 3.540 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)C[C@H]1C ZINC000248974063 836836981 /nfs/dbraw/zinc/83/69/81/836836981.db2.gz SYWTXCIJZZNMKL-VMGRFDJRSA-N 0 0 396.434 3.506 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@H](c3ccccc3)C(C)C)C2)nn1 ZINC000332901159 836939277 /nfs/dbraw/zinc/93/92/77/836939277.db2.gz QRDJOTVDPDQBAS-CTNGQTDRSA-N 0 0 381.524 3.793 10 0 GHAERN O=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC(n2cncn2)CC1 ZINC000103433138 837329216 /nfs/dbraw/zinc/32/92/16/837329216.db2.gz QFGHAFQXIYKBTC-UHFFFAOYSA-N 0 0 396.878 3.988 10 0 GHAERN CCOc1ccc(F)c(NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)c1F ZINC000408047311 837888553 /nfs/dbraw/zinc/88/85/53/837888553.db2.gz GEWLAQJBLFFYAB-UHFFFAOYSA-N 0 0 395.450 3.762 10 0 GHAERN CC(=O)N(C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000333208088 844281303 /nfs/dbraw/zinc/28/13/03/844281303.db2.gz AZTGMNRCZNEFPF-XIRDDKMYSA-N 0 0 389.462 3.540 10 0 GHAERN CC(C)n1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c2ccccc2c1=O ZINC000408062297 838285942 /nfs/dbraw/zinc/28/59/42/838285942.db2.gz HAAYSPQJASDAIU-YCRNBWNJSA-N 0 0 397.519 3.523 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000179187365 838529546 /nfs/dbraw/zinc/52/95/46/838529546.db2.gz VTKVTRBBTSLCQS-YJBOKZPZSA-N 0 0 383.517 3.854 10 0 GHAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408063465 838553625 /nfs/dbraw/zinc/55/36/25/838553625.db2.gz IWJSTIBUBZTXLY-MAZHCROVSA-N 0 0 397.302 3.867 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1F)CCCC2 ZINC000408029766 838711276 /nfs/dbraw/zinc/71/12/76/838711276.db2.gz YMWPUZIJIZJLHO-MRXNPFEDSA-N 0 0 397.903 3.617 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3cccc(C)c3)C2)n1 ZINC000117040510 839538794 /nfs/dbraw/zinc/53/87/94/839538794.db2.gz GEHZIZNRCVHTDZ-LJQANCHMSA-N 0 0 383.540 3.603 10 0 GHAERN Cc1ccc(N2CCCN(C(=O)c3ccc(OC4CCCCC4)cc3)CC2)nn1 ZINC000117792645 839835477 /nfs/dbraw/zinc/83/54/77/839835477.db2.gz KMURATLZKGCFGS-UHFFFAOYSA-N 0 0 394.519 3.849 10 0 GHAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119117640 840044045 /nfs/dbraw/zinc/04/40/45/840044045.db2.gz NRMQLBUQBFMGSB-VGSWGCGISA-N 0 0 399.466 3.850 10 0 GHAERN O=C(/C=C\c1ccncn1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000588393430 840402515 /nfs/dbraw/zinc/40/25/15/840402515.db2.gz SCQIOFTXOUFYII-QXMHVHEDSA-N 0 0 395.466 3.718 10 0 GHAERN CC(C)(C)C[C@H](NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F ZINC000588394547 840443839 /nfs/dbraw/zinc/44/38/39/840443839.db2.gz XECITXPXDGIZKW-YHAOYDPOSA-N 0 0 392.443 3.555 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccccc3OC3CCCCC3)CCO2)n1 ZINC000119933505 840458218 /nfs/dbraw/zinc/45/82/18/840458218.db2.gz RBLOMWSIVORRMO-FQEVSTJZSA-N 0 0 397.519 3.753 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cc1 ZINC000110516078 840595589 /nfs/dbraw/zinc/59/55/89/840595589.db2.gz HMPIKLUYZXYEFV-YWZLYKJASA-N 0 0 398.890 3.744 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000332765078 844557911 /nfs/dbraw/zinc/55/79/11/844557911.db2.gz KVNFHHXIXRDKPA-RHSMWYFYSA-N 0 0 396.443 3.794 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106211153 840779269 /nfs/dbraw/zinc/77/92/69/840779269.db2.gz VGRKGXPIWFYTRV-GWZYHKFFSA-N 0 0 384.568 3.647 10 0 GHAERN O=C(NCc1ccc(Br)s1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408128983 841072589 /nfs/dbraw/zinc/07/25/89/841072589.db2.gz MRIFKPYYPFLEAM-BFHYXJOUSA-N 0 0 387.343 3.736 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nc(C)c(C)s2)C1)c1cccs1 ZINC000332888927 844608175 /nfs/dbraw/zinc/60/81/75/844608175.db2.gz IBHZNACDPZOTBM-CVEARBPZSA-N 0 0 391.562 3.795 10 0 GHAERN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000332889104 844609483 /nfs/dbraw/zinc/60/94/83/844609483.db2.gz MCSGWBPUSVOOKR-YKSBVNFPSA-N 0 0 391.515 3.819 10 0 GHAERN O=C(NC[C@@H]1COc2ccccc2O1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000105743285 841784824 /nfs/dbraw/zinc/78/48/24/841784824.db2.gz KPQNPQHLYKWOSR-QGZVFWFLSA-N 0 0 391.398 3.627 10 0 GHAERN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408182366 841902666 /nfs/dbraw/zinc/90/26/66/841902666.db2.gz JMBTYSVNMALQBN-AFYVEPGGSA-N 0 0 391.943 3.644 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000153865089 842235391 /nfs/dbraw/zinc/23/53/91/842235391.db2.gz KVGBIMXYGPEQKR-FGZHOGPDSA-N 0 0 382.479 3.517 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000247271905 842432752 /nfs/dbraw/zinc/43/27/52/842432752.db2.gz CEADOTFOTZOQOV-RDBSUJKOSA-N 0 0 393.318 3.943 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000588434693 842520267 /nfs/dbraw/zinc/52/02/67/842520267.db2.gz UOGPKXKXGMXHOX-PLNGDYQASA-N 0 0 380.872 3.500 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000588443503 842765043 /nfs/dbraw/zinc/76/50/43/842765043.db2.gz SJIQAZAEYIMUPF-HUUCEWRRSA-N 0 0 395.532 3.689 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N2CCOc3ccc(F)cc3C2)C[C@@H](C)O1 ZINC000408359797 842799475 /nfs/dbraw/zinc/79/94/75/842799475.db2.gz WUAVDMYXTVYBMF-HZPDHXFCSA-N 0 0 399.466 3.866 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H](c3nnc[nH]3)C2)cc(C)c1Br ZINC000408366090 842893302 /nfs/dbraw/zinc/89/33/02/842893302.db2.gz KNAJNUCMLYDHQG-LBPRGKRZSA-N 0 0 378.274 3.596 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1 ZINC000408367497 842902619 /nfs/dbraw/zinc/90/26/19/842902619.db2.gz WMHJFOXAYDTDHB-SOLBZPMBSA-N 0 0 382.526 3.571 10 0 GHAERN COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3ccc(C)cn3)CC2)o1 ZINC000163177967 842963411 /nfs/dbraw/zinc/96/34/11/842963411.db2.gz YBCIHKKZEQTINA-LJQANCHMSA-N 0 0 398.507 3.645 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492260 843265502 /nfs/dbraw/zinc/26/55/02/843265502.db2.gz HYOZPKIDGCAXOA-IFXJQAMLSA-N 0 0 377.448 3.510 10 0 GHAERN CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)/C=C\c2ncccc2C)cc1 ZINC000588453914 843331890 /nfs/dbraw/zinc/33/18/90/843331890.db2.gz YRCLLJCWTIRGSN-HWOXTHGCSA-N 0 0 395.503 3.576 10 0 GHAERN CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)/C=C\c2ncccc2C)cc1 ZINC000588453915 843332139 /nfs/dbraw/zinc/33/21/39/843332139.db2.gz YRCLLJCWTIRGSN-SWNWVQGVSA-N 0 0 395.503 3.576 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000588455269 843345538 /nfs/dbraw/zinc/34/55/38/843345538.db2.gz CGRIZRBCGNXUGI-IBSYWUHOSA-N 0 0 396.466 3.603 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000112307323 843352320 /nfs/dbraw/zinc/35/23/20/843352320.db2.gz WCWMVGQXCYGKII-HZPDHXFCSA-N 0 0 388.920 3.880 10 0 GHAERN C[C@@H]1CCc2c(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)csc2C1 ZINC000021496994 843484949 /nfs/dbraw/zinc/48/49/49/843484949.db2.gz PGYBDPIIXWIWTO-WBMJQRKESA-N 0 0 375.515 3.521 10 0 GHAERN CC(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC12CCCCC2 ZINC000408256592 843620028 /nfs/dbraw/zinc/62/00/28/843620028.db2.gz NVKKSDZCKWJTFV-UHFFFAOYSA-N 0 0 385.295 3.787 10 0 GHAERN C[C@@]12CN(C(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333049553 843916085 /nfs/dbraw/zinc/91/60/85/843916085.db2.gz BILBDNKIFVSSLA-MJXOLFLWSA-N 0 0 375.856 3.571 10 0 GHAERN O=C(/C=C\c1ccccc1Cl)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000588477153 844707541 /nfs/dbraw/zinc/70/75/41/844707541.db2.gz FTNLBAOUMKUWMK-QXPKXGMISA-N 0 0 381.925 3.702 10 0 GHAERN COc1ccc(/C=C/C(=O)NCc2nnc(-c3ccccc3)s2)c(OC)c1 ZINC000151023234 845119053 /nfs/dbraw/zinc/11/90/53/845119053.db2.gz ACWFFPCGBMXYFU-PKNBQFBNSA-N 0 0 381.457 3.552 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085649 845145740 /nfs/dbraw/zinc/14/57/40/845145740.db2.gz CPBYKNBLOFBTLO-GOSISDBHSA-N 0 0 393.487 3.976 10 0 GHAERN CC(C)c1ccc(N2CC[C@H](C(=O)N3CCCc4c(N)cccc43)C2=O)cc1 ZINC000236644504 845148918 /nfs/dbraw/zinc/14/89/18/845148918.db2.gz YNIIOESAIVOXFI-IBGZPJMESA-N 0 0 377.488 3.725 10 0 GHAERN O=C(Nc1ccccc1-c1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000151423966 845204232 /nfs/dbraw/zinc/20/42/32/845204232.db2.gz WAVKNJIWVHBJNT-UHFFFAOYSA-N 0 0 390.487 3.954 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)C1 ZINC000248947781 845479429 /nfs/dbraw/zinc/47/94/29/845479429.db2.gz JLVYYLXSBHERTJ-OGWOLHLISA-N 0 0 386.496 3.745 10 0 GHAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@@H]3c3ccc(C)o3)C2)n(C)n1 ZINC000408446271 845488946 /nfs/dbraw/zinc/48/89/46/845488946.db2.gz JCTMPVPERVKVJA-QZTJIDSGSA-N 0 0 385.512 3.536 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000151748000 845639612 /nfs/dbraw/zinc/63/96/12/845639612.db2.gz CPKFKQFPCANOBE-MAUKXSAKSA-N 0 0 393.487 3.997 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000151776360 845705772 /nfs/dbraw/zinc/70/57/72/845705772.db2.gz CVVVCKJJNYPCFD-YJBOKZPZSA-N 0 0 393.487 3.997 10 0 GHAERN CC(C)CCn1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nn1 ZINC000151956541 846067305 /nfs/dbraw/zinc/06/73/05/846067305.db2.gz HQKLVUDXTACPGN-SFHVURJKSA-N 0 0 392.507 3.734 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000588513653 846898891 /nfs/dbraw/zinc/89/88/91/846898891.db2.gz NEDDTKXMNWXIEY-CDNLZTBQSA-N 0 0 375.394 3.817 10 0 GHAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588513156 846900841 /nfs/dbraw/zinc/90/08/41/846900841.db2.gz FRYYMLBHHVVXSM-QKQONQEDSA-N 0 0 380.419 3.611 10 0 GHAERN Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333630765 847585685 /nfs/dbraw/zinc/58/56/85/847585685.db2.gz GNNYJRQXSIAOMH-VQHPVUNQSA-N 0 0 375.856 3.504 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C2)cc1 ZINC000152710938 847644007 /nfs/dbraw/zinc/64/40/07/847644007.db2.gz BNNXDEHAPDOIDS-AAEUAGOBSA-N 0 0 395.381 3.812 10 0 GHAERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588527845 847659663 /nfs/dbraw/zinc/65/96/63/847659663.db2.gz VVBOMVXJATWUAA-YTELKSAQSA-N 0 0 379.888 3.510 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H](c3nccs3)C2)c2ccccc21 ZINC000329632905 861852379 /nfs/dbraw/zinc/85/23/79/861852379.db2.gz RZVWHGRZPHVSAT-IRXDYDNUSA-N 0 0 383.517 3.780 10 0 GHAERN CC(=O)N1CCN(Cc2cccc(NC(=O)/C=C\c3ccccc3Cl)c2)CC1 ZINC000588538761 848022271 /nfs/dbraw/zinc/02/22/71/848022271.db2.gz HHXATMCWTDRAHL-KTKRTIGZSA-N 0 0 397.906 3.656 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000153601742 848727264 /nfs/dbraw/zinc/72/72/64/848727264.db2.gz TTYBXSMOAFLNGX-QYZOEREBSA-N 0 0 397.523 3.534 10 0 GHAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000153669145 848880375 /nfs/dbraw/zinc/88/03/75/848880375.db2.gz UWYSYXPAIFBOIW-KUHUBIRLSA-N 0 0 385.464 3.722 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([C@H](C)N4CCOCC4)cc3)CCO2)o1 ZINC000154052093 849175627 /nfs/dbraw/zinc/17/56/27/849175627.db2.gz IHDLLVXMTUFISS-UWJYYQICSA-N 0 0 399.491 3.587 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 ZINC000329126383 849306455 /nfs/dbraw/zinc/30/64/55/849306455.db2.gz YMTTZIYJDVMSEP-RBUKOAKNSA-N 0 0 397.544 3.862 10 0 GHAERN C[C@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1c(F)cccc1F ZINC000154858404 849381725 /nfs/dbraw/zinc/38/17/25/849381725.db2.gz GAKLBPRJNLNZBT-ZDUSSCGKSA-N 0 0 378.444 3.505 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)C1 ZINC000329679098 862011989 /nfs/dbraw/zinc/01/19/89/862011989.db2.gz VVCBDPHPJFBMIU-WBAXXEDZSA-N 0 0 391.581 3.751 10 0 GHAERN Cc1cc(C)c(N2CC[C@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2=O)c(C)c1 ZINC000588574476 849559111 /nfs/dbraw/zinc/55/91/11/849559111.db2.gz PZGOVVKQKCDUSX-CHYADLBTSA-N 0 0 383.879 3.595 10 0 GHAERN COc1ccc([C@H](C)NC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1OC ZINC000333787954 851119906 /nfs/dbraw/zinc/11/99/06/851119906.db2.gz CTKKJYNJLBBRLB-JQHSSLGASA-N 0 0 388.508 3.756 10 0 GHAERN CCC(C)(C)NC(=O)COc1cccc(C(=O)N2CCc3ccccc3C2)c1 ZINC000101541720 851656612 /nfs/dbraw/zinc/65/66/12/851656612.db2.gz XAOYDGRRPABYAB-UHFFFAOYSA-N 0 0 380.488 3.569 10 0 GHAERN COc1c(C)cc(CN(C)[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1C ZINC000101566225 851665537 /nfs/dbraw/zinc/66/55/37/851665537.db2.gz UKOZEWDVTVXNPB-MRXNPFEDSA-N 0 0 383.492 3.729 10 0 GHAERN CC(C)CCOc1ccccc1CNC(=O)NC1CCN(c2ccccn2)CC1 ZINC000101615669 851755015 /nfs/dbraw/zinc/75/50/15/851755015.db2.gz GQHGBROREZKAGK-UHFFFAOYSA-N 0 0 396.535 3.975 10 0 GHAERN Cc1noc(CCNC(=O)Cc2c(C)nc3ccccc3c2-c2ccccc2)n1 ZINC000101663569 851808462 /nfs/dbraw/zinc/80/84/62/851808462.db2.gz PIOATRQSKRDJBV-UHFFFAOYSA-N 0 0 386.455 3.803 10 0 GHAERN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247970831 852858236 /nfs/dbraw/zinc/85/82/36/852858236.db2.gz JGSCCDOKOGBHDZ-NHYWBVRUSA-N 0 0 397.846 3.675 10 0 GHAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC12CCCC2 ZINC000333967210 853285921 /nfs/dbraw/zinc/28/59/21/853285921.db2.gz RSYMMUBOZZWHRG-WMZOPIPTSA-N 0 0 376.522 3.515 10 0 GHAERN CC(C)(C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000102217479 854204632 /nfs/dbraw/zinc/20/46/32/854204632.db2.gz RFHSVLXOWNSYMF-UHFFFAOYSA-N 0 0 396.306 3.769 10 0 GHAERN O=S(=O)(Nc1ccc(Br)cc1F)c1cccc2ncccc21 ZINC000102319713 854300824 /nfs/dbraw/zinc/30/08/24/854300824.db2.gz JYAYILQMHHIIBD-UHFFFAOYSA-N 0 0 381.226 3.937 10 0 GHAERN C[C@@H]1CC(=O)CC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330080346 862559750 /nfs/dbraw/zinc/55/97/50/862559750.db2.gz PASVOUKGJDRGFX-DGROVODQSA-N 0 0 393.487 3.622 10 0 GHAERN C[C@H]1CC(=O)CC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330080344 862560561 /nfs/dbraw/zinc/56/05/61/862560561.db2.gz PASVOUKGJDRGFX-AYLOKRBSSA-N 0 0 393.487 3.622 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330147902 862614180 /nfs/dbraw/zinc/61/41/80/862614180.db2.gz UJCCXEJRVGVAJO-HGHGUNKESA-N 0 0 382.508 3.824 10 0 GHAERN CC[S@](=O)c1ccccc1C(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000102378957 854968910 /nfs/dbraw/zinc/96/89/10/854968910.db2.gz TYELJBPUSNIQBK-HHHXNRCGSA-N 0 0 385.529 3.918 10 0 GHAERN Cc1c(C(=O)NCc2cccc(C)n2)cnn1-c1cccc(Br)c1 ZINC000106016363 855168651 /nfs/dbraw/zinc/16/86/51/855168651.db2.gz FXUDUJUUSFUVRP-UHFFFAOYSA-N 0 0 385.265 3.577 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000190003981 855403931 /nfs/dbraw/zinc/40/39/31/855403931.db2.gz NRKOAEVMJRVVAW-WBVHZDCISA-N 0 0 389.908 3.822 10 0 GHAERN O=C(NC[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000030894834 856129970 /nfs/dbraw/zinc/12/99/70/856129970.db2.gz LGBUEVQEVOANFI-HXUWFJFHSA-N 0 0 394.490 3.914 10 0 GHAERN COc1ccccc1CCN(C)CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000104710926 856373767 /nfs/dbraw/zinc/37/37/67/856373767.db2.gz HGZXTDDORAVMFJ-UHFFFAOYSA-N 0 0 392.503 3.611 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(Br)cc1Cl ZINC000104979578 856454043 /nfs/dbraw/zinc/45/40/43/856454043.db2.gz SFCOKQJAYQLPNX-ZDUSSCGKSA-N 0 0 383.673 3.828 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000045514107 856733819 /nfs/dbraw/zinc/73/38/19/856733819.db2.gz KQZXIIMGSMBYPS-UHFFFAOYSA-N 0 0 378.444 3.932 10 0 GHAERN CC(C)(C)C(=O)NCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217553 856995005 /nfs/dbraw/zinc/99/50/05/856995005.db2.gz HLLZJKHMYCZMOE-SFHVURJKSA-N 0 0 396.535 3.725 10 0 GHAERN O=C(N[C@H]1CCc2c1cccc2Br)N1CCC(c2cc[nH]n2)CC1 ZINC000158823231 858290044 /nfs/dbraw/zinc/29/00/44/858290044.db2.gz BSSJKVVPSARNBN-KRWDZBQOSA-N 0 0 389.297 3.749 10 0 GHAERN Cc1ccc2[nH]c3c(c2c1)C[C@H](N1C(=O)[C@@H]2C[C@H]4CCCC[C@H]4N2C1=O)CC3 ZINC000330353527 863059686 /nfs/dbraw/zinc/05/96/86/863059686.db2.gz OOKNNQYCBTUXMH-LYDRAKHJSA-N 0 0 377.488 3.929 10 0 GHAERN C[C@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H]1CO ZINC000132779450 858794228 /nfs/dbraw/zinc/79/42/28/858794228.db2.gz AIHRXZKCICHLPG-GUYCJALGSA-N 0 0 396.329 3.674 10 0 GHAERN CCCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130112486 859372044 /nfs/dbraw/zinc/37/20/44/859372044.db2.gz WZNCJBXIGITAJA-IRXDYDNUSA-N 0 0 388.533 3.641 10 0 GHAERN CC(C)(C)c1nsc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 ZINC000272565765 859954750 /nfs/dbraw/zinc/95/47/50/859954750.db2.gz QEHQYBNPFVMBJG-GFCCVEGCSA-N 0 0 389.529 3.523 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000156120833 859992102 /nfs/dbraw/zinc/99/21/02/859992102.db2.gz RVRQQGWMBMQQIT-DOMZBBRYSA-N 0 0 397.846 3.675 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2cccc3c2OCCO3)CC1 ZINC000102532393 860319870 /nfs/dbraw/zinc/31/98/70/860319870.db2.gz MNGSGALYIYAVTO-UHFFFAOYSA-N 0 0 382.460 3.953 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)C2)n1 ZINC000173070875 860435729 /nfs/dbraw/zinc/43/57/29/860435729.db2.gz PDJVKOWQVMORTF-AVRDEDQJSA-N 0 0 397.544 3.852 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)C2)n1 ZINC000173070882 860435776 /nfs/dbraw/zinc/43/57/76/860435776.db2.gz PDJVKOWQVMORTF-XMSQKQJNSA-N 0 0 397.544 3.852 10 0 GHAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000027243084 860614021 /nfs/dbraw/zinc/61/40/21/860614021.db2.gz FTTUQYIRYIRJFG-UJGDBWEASA-N 0 0 386.455 3.520 10 0 GHAERN O=C([C@H]1CCCc2sccc21)N1CCOC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000329146178 861065738 /nfs/dbraw/zinc/06/57/38/861065738.db2.gz AMIXLCQEIGQHFO-IRXDYDNUSA-N 0 0 395.484 3.818 10 0 GHAERN COc1ccc(Br)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164751396 861172420 /nfs/dbraw/zinc/17/24/20/861172420.db2.gz WZWUIXAEQFSZDA-PXAZEXFGSA-N 0 0 383.286 3.617 10 0 GHAERN CCOc1ccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)cc1OC ZINC000103178860 863901848 /nfs/dbraw/zinc/90/18/48/863901848.db2.gz XZUCETDVLDBSOS-UHFFFAOYSA-N 0 0 381.476 3.926 10 0 GHAERN CCCNC(=O)c1cccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103235242 863918384 /nfs/dbraw/zinc/91/83/84/863918384.db2.gz MNQLMTURCPZXKR-UHFFFAOYSA-N 0 0 378.476 3.980 10 0 GHAERN CCCOc1ncccc1CNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103310757 863954092 /nfs/dbraw/zinc/95/40/92/863954092.db2.gz HXVJZYNXJKXIAZ-HXUWFJFHSA-N 0 0 376.460 3.854 10 0 GHAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H](C)c1ccc(SC(C)C)cc1 ZINC000103445779 863986252 /nfs/dbraw/zinc/98/62/52/863986252.db2.gz HLGRWQRVBWIUGH-GFCCVEGCSA-N 0 0 398.575 3.695 10 0 GHAERN C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1nccn1-c1cccc(Cl)c1 ZINC000103622843 864024990 /nfs/dbraw/zinc/02/49/90/864024990.db2.gz OGYDNHHPOZDHMT-NSHDSACASA-N 0 0 394.884 3.741 10 0 GHAERN O=C(NCc1ccccc1OC1CCCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103764426 864086346 /nfs/dbraw/zinc/08/63/46/864086346.db2.gz CTCGMPVDPJIASR-UHFFFAOYSA-N 0 0 397.866 3.567 10 0 GHAERN COc1ccccc1CCN(C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000104710387 864554814 /nfs/dbraw/zinc/55/48/14/864554814.db2.gz GAZYPURFDVGPLB-UHFFFAOYSA-N 0 0 392.253 3.775 10 0 GHAERN CCn1c(SCC(=O)N(C)Cc2ccc(C)o2)nnc1-c1cccc(C)c1 ZINC000104980241 864759846 /nfs/dbraw/zinc/75/98/46/864759846.db2.gz UXBQQXRLBWAFPM-UHFFFAOYSA-N 0 0 384.505 3.926 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c2ccccc2O1 ZINC000121059229 881883125 /nfs/dbraw/zinc/88/31/25/881883125.db2.gz CUZAHHBRSLQAAY-MOPGFXCFSA-N 0 0 393.487 3.562 10 0 GHAERN CCc1cc(=O)[nH]c(-c2ccc(NCc3cccc(-c4cnn(C)c4)c3)nc2)n1 ZINC000301875818 865582312 /nfs/dbraw/zinc/58/23/12/865582312.db2.gz KCMAVOREWVAORA-UHFFFAOYSA-N 0 0 386.459 3.819 10 0 GHAERN COc1cc(C2(C(=O)N3CCC[C@H](Cc4noc(C)n4)C3)CCCC2)ccc1C ZINC000108172368 866507011 /nfs/dbraw/zinc/50/70/11/866507011.db2.gz GWIWPMAPCPZWJU-GOSISDBHSA-N 0 0 397.519 3.988 10 0 GHAERN COc1ccc(Sc2ccc(NC(=O)NCCc3nc(C)no3)cc2)cc1 ZINC000105037119 866648483 /nfs/dbraw/zinc/64/84/83/866648483.db2.gz FKNXEODDOPOBMT-UHFFFAOYSA-N 0 0 384.461 3.902 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3oc4ccc(Cl)cc4c3C)CCO2)n1 ZINC000110899155 866661141 /nfs/dbraw/zinc/66/11/41/866661141.db2.gz REXKLOHOTUMNDX-INIZCTEOSA-N 0 0 387.867 3.749 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3ccc(Cl)c(Cl)c3)CCO2)n1 ZINC000111416566 866682986 /nfs/dbraw/zinc/68/29/86/866682986.db2.gz ONLUOSDQEJFEHV-AWEZNQCLSA-N 0 0 383.279 3.740 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)c1 ZINC000112107526 866716885 /nfs/dbraw/zinc/71/68/85/866716885.db2.gz OYPUPALWDAWVDM-FXAWDEMLSA-N 0 0 384.524 3.661 10 0 GHAERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114741444 866770321 /nfs/dbraw/zinc/77/03/21/866770321.db2.gz VJMOQRBEJKDECL-SNVBAGLBSA-N 0 0 394.415 3.869 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)N1Cc3ccccc3-c3ccccc3C1)CC2 ZINC000114976366 866776861 /nfs/dbraw/zinc/77/68/61/866776861.db2.gz BCWPWTQWCLTBLD-GOSISDBHSA-N 0 0 387.487 3.548 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1ccccc1F ZINC000169854501 882029612 /nfs/dbraw/zinc/02/96/12/882029612.db2.gz IYDXOJYHVPLSOP-UHFFFAOYSA-N 0 0 391.446 3.651 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000245521016 867436470 /nfs/dbraw/zinc/43/64/70/867436470.db2.gz KFTOCYSLWRGZSC-ZGZIKQBOSA-N 0 0 392.425 3.761 10 0 GHAERN O=C(CCn1c(=S)[nH]nc1-c1cccs1)Nc1cccc(-c2ncon2)c1 ZINC000171308901 882099124 /nfs/dbraw/zinc/09/91/24/882099124.db2.gz PLDJEJBLIRYUOT-UHFFFAOYSA-N 0 0 398.473 3.748 10 0 GHAERN COc1ccc(NC(=O)N2CCC(n3cncn3)CC2)cc1Cc1ccccc1 ZINC000171361162 882100411 /nfs/dbraw/zinc/10/04/11/882100411.db2.gz YPPQHJPQCSKRNQ-UHFFFAOYSA-N 0 0 391.475 3.747 10 0 GHAERN O=C(CCc1nc(-c2cccs2)no1)N1CCC(Cc2ccccn2)CC1 ZINC000171615519 882116416 /nfs/dbraw/zinc/11/64/16/882116416.db2.gz RGPJVJRYFOMZHH-UHFFFAOYSA-N 0 0 382.489 3.607 10 0 GHAERN COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000171640728 882120350 /nfs/dbraw/zinc/12/03/50/882120350.db2.gz ODTWERGSMNBBBT-OAHLLOKOSA-N 0 0 382.489 3.666 10 0 GHAERN Cc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)c2cnn(C(C)C)c2n1 ZINC000171612411 882146050 /nfs/dbraw/zinc/14/60/50/882146050.db2.gz GLWLAHRIZMNHLL-UHFFFAOYSA-N 0 0 377.492 3.811 10 0 GHAERN COC(=O)c1ccc(-c2noc(C3CCN(C(=O)c4cccs4)CC3)n2)cc1 ZINC000171803691 882161349 /nfs/dbraw/zinc/16/13/49/882161349.db2.gz SMTMKGFOPCIQKR-UHFFFAOYSA-N 0 0 397.456 3.605 10 0 GHAERN CC(=O)N(c1nc(CN[C@H]2Cc3ccccc3[C@H]2O)cs1)c1ccc(C)cc1 ZINC000172068206 882167532 /nfs/dbraw/zinc/16/75/32/882167532.db2.gz HQCWIWGXGVNHTP-LEWJYISDSA-N 0 0 393.512 3.884 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000172043715 882183891 /nfs/dbraw/zinc/18/38/91/882183891.db2.gz UBKDMNSWFBABQQ-VLIAUNLRSA-N 0 0 376.412 3.713 10 0 GHAERN CCc1nc(COc2ccc(C(=O)Nc3cccc(-c4ncon4)c3)cc2)no1 ZINC000172209500 882186629 /nfs/dbraw/zinc/18/66/29/882186629.db2.gz OLYDMQANERDWOU-UHFFFAOYSA-N 0 0 391.387 3.513 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000245799000 868794339 /nfs/dbraw/zinc/79/43/39/868794339.db2.gz HTRXORLSZAFXDG-ZNOIYHFQSA-N 0 0 380.492 3.609 10 0 GHAERN CCc1ccc([C@H]2CCCCN2C(=O)C2CCN(c3nccc(OC)n3)CC2)o1 ZINC000172669183 882283274 /nfs/dbraw/zinc/28/32/74/882283274.db2.gz XSOGRGGWEYRELQ-GOSISDBHSA-N 0 0 398.507 3.611 10 0 GHAERN CC(C)c1cnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000172674241 882283953 /nfs/dbraw/zinc/28/39/53/882283953.db2.gz AETHNTTZPOVMIJ-UHFFFAOYSA-N 0 0 375.469 3.897 10 0 GHAERN CCc1ccc([C@@H]2CCCCCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000172473310 882287913 /nfs/dbraw/zinc/28/79/13/882287913.db2.gz ATCNNZANOYNVLX-SFHVURJKSA-N 0 0 394.479 3.645 10 0 GHAERN O=C(NCCc1cc2ccccc2o1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172494893 882290116 /nfs/dbraw/zinc/29/01/16/882290116.db2.gz WWTRFQIIIYWOSF-QGZVFWFLSA-N 0 0 389.459 3.607 10 0 GHAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc2ccccc21 ZINC000172504242 882291094 /nfs/dbraw/zinc/29/10/94/882291094.db2.gz ZOUDXAODDBLDRG-AWEZNQCLSA-N 0 0 386.411 3.706 10 0 GHAERN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000172718088 882302055 /nfs/dbraw/zinc/30/20/55/882302055.db2.gz LARWAOZMPZATIQ-GOSISDBHSA-N 0 0 385.895 3.855 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172597141 882297054 /nfs/dbraw/zinc/29/70/54/882297054.db2.gz DSPWQAXJTJZYHL-NHCUHLMSSA-N 0 0 380.463 3.612 10 0 GHAERN C[C@@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1cccs1 ZINC000172804760 882309016 /nfs/dbraw/zinc/30/90/16/882309016.db2.gz LQMFUPFJZMPUJK-CQSZACIVSA-N 0 0 376.547 3.657 10 0 GHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172745005 882304455 /nfs/dbraw/zinc/30/44/55/882304455.db2.gz XTPWOOLQNPUZMB-OAHLLOKOSA-N 0 0 385.895 3.807 10 0 GHAERN C[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000172800560 882308166 /nfs/dbraw/zinc/30/81/66/882308166.db2.gz VXUDLPZMFQPKLV-OAHLLOKOSA-N 0 0 388.508 3.734 10 0 GHAERN Cc1nc([C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2F)no1 ZINC000114649947 869702840 /nfs/dbraw/zinc/70/28/40/869702840.db2.gz RJAXVSCVCPGRSS-ZDUSSCGKSA-N 0 0 381.194 3.738 10 0 GHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCC[C@H]2c3ccccc3NC2=O)s1 ZINC000173463428 882363785 /nfs/dbraw/zinc/36/37/85/882363785.db2.gz HXPTWSUAJQIEJJ-HIFRSBDPSA-N 0 0 386.521 3.842 10 0 GHAERN O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915980 870242612 /nfs/dbraw/zinc/24/26/12/870242612.db2.gz LBLYRTVSRUVTNS-ZIAGYGMSSA-N 0 0 385.411 3.543 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000043164677 870284940 /nfs/dbraw/zinc/28/49/40/870284940.db2.gz ODERGVSZBVWOAF-QGZVFWFLSA-N 0 0 376.460 3.976 10 0 GHAERN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046494688 870435704 /nfs/dbraw/zinc/43/57/04/870435704.db2.gz HIEHIMREDUCSAO-SFTDATJTSA-N 0 0 392.503 3.602 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000173848454 882410135 /nfs/dbraw/zinc/41/01/35/882410135.db2.gz ABAPOJSGQAHYJX-LPHOPBHVSA-N 0 0 376.460 3.603 10 0 GHAERN Cc1c(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)cccc1N1CCNC1=O ZINC000173875700 882411535 /nfs/dbraw/zinc/41/15/35/882411535.db2.gz HSEODXFYJKWDPR-HNNXBMFYSA-N 0 0 390.443 3.671 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)NC1CCC(C(F)(F)F)CC1 ZINC000056762103 870584761 /nfs/dbraw/zinc/58/47/61/870584761.db2.gz FZIKYKQGTPRTAW-UHFFFAOYSA-N 0 0 399.457 3.804 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174080979 882422806 /nfs/dbraw/zinc/42/28/06/882422806.db2.gz FDPPPHSTBQSRAK-DHZHZOJOSA-N 0 0 381.451 3.900 10 0 GHAERN C[C@H](CC(=O)N1CCC(Nc2ccccc2F)CC1)NC(=O)C1CCCCC1 ZINC000174083132 882422830 /nfs/dbraw/zinc/42/28/30/882422830.db2.gz NMEZJNFTSHIDTL-MRXNPFEDSA-N 0 0 389.515 3.704 10 0 GHAERN O=C(Nc1ccnn1-c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000174186579 882433726 /nfs/dbraw/zinc/43/37/26/882433726.db2.gz AXKYEDGWIUDDCT-UHFFFAOYSA-N 0 0 392.434 3.502 10 0 GHAERN CCc1nsc(N2CCCN(C(=O)N[C@H](CC)c3cccs3)CC2)n1 ZINC000174209087 882435435 /nfs/dbraw/zinc/43/54/35/882435435.db2.gz GCFQJOJACCWPMY-CYBMUJFWSA-N 0 0 379.555 3.535 10 0 GHAERN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)N1CCC(n2cncn2)CC1 ZINC000174412073 882467577 /nfs/dbraw/zinc/46/75/77/882467577.db2.gz KSRRRGAEMAAFNN-LJQANCHMSA-N 0 0 385.512 3.811 10 0 GHAERN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000174525253 882477447 /nfs/dbraw/zinc/47/74/47/882477447.db2.gz OOSCBIAOIOCHLS-INIZCTEOSA-N 0 0 394.475 3.697 10 0 GHAERN CCCc1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000174623635 882487171 /nfs/dbraw/zinc/48/71/71/882487171.db2.gz BKAXEJWBUHDUNL-UHFFFAOYSA-N 0 0 383.496 3.639 10 0 GHAERN COc1cc(OC)c(CNC(=O)NC(C)(C)c2ccc(F)cc2)c(OC)c1 ZINC000103308395 871673614 /nfs/dbraw/zinc/67/36/14/871673614.db2.gz NOZQXFDAVVORPK-UHFFFAOYSA-N 0 0 376.428 3.586 10 0 GHAERN Cc1onc2c1c(-c1ccccc1)nn(CN(C)CCc1ccc(F)cc1)c2=O ZINC000101535982 872073882 /nfs/dbraw/zinc/07/38/82/872073882.db2.gz MQNBHVWNBQLWRI-UHFFFAOYSA-N 0 0 392.434 3.631 10 0 GHAERN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101843169 872320888 /nfs/dbraw/zinc/32/08/88/872320888.db2.gz KOXIYDXYUWSGQQ-UHFFFAOYSA-N 0 0 399.454 3.804 10 0 GHAERN Cc1cc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c2cnn(C)c2n1 ZINC000175620199 882605424 /nfs/dbraw/zinc/60/54/24/882605424.db2.gz FSFCWKGICVSXKX-UHFFFAOYSA-N 0 0 391.450 3.917 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000175911206 882615002 /nfs/dbraw/zinc/61/50/02/882615002.db2.gz BUTQBDDUVAINJS-JKSUJKDBSA-N 0 0 393.553 3.851 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1noc(Cc2ccccc2)n1 ZINC000175739847 882619536 /nfs/dbraw/zinc/61/95/36/882619536.db2.gz BBCXHNYYPTYFNR-ZBFHGGJFSA-N 0 0 397.504 3.767 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)nc21 ZINC000176216518 882647287 /nfs/dbraw/zinc/64/72/87/882647287.db2.gz SGNRCHLNDSRTCV-QGZVFWFLSA-N 0 0 377.444 3.896 10 0 GHAERN CC(C)(C(=O)Oc1cccc(S(C)(=O)=O)c1)c1cccc(Br)c1 ZINC000102231554 872763876 /nfs/dbraw/zinc/76/38/76/872763876.db2.gz GVRFHPXFSFIRGT-UHFFFAOYSA-N 0 0 397.290 3.736 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000176004834 882656387 /nfs/dbraw/zinc/65/63/87/882656387.db2.gz SVGVVIMPNOYAOW-VABKMULXSA-N 0 0 383.580 3.542 10 0 GHAERN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)c1ncncc1Cl ZINC000176011854 882656653 /nfs/dbraw/zinc/65/66/53/882656653.db2.gz GXQJXRBPRHKAMY-ZDUSSCGKSA-N 0 0 396.672 3.878 10 0 GHAERN CC(C)NC(=O)Nc1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1 ZINC000102319804 872899130 /nfs/dbraw/zinc/89/91/30/872899130.db2.gz PIBKDRDLUQNVHH-UHFFFAOYSA-N 0 0 384.461 3.566 10 0 GHAERN COCCn1cc(C(=O)NC2CCN(c3cccs3)CC2)c2ccccc21 ZINC000176156657 882672562 /nfs/dbraw/zinc/67/25/62/882672562.db2.gz JSQAUIFIZPQHQM-UHFFFAOYSA-N 0 0 383.517 3.748 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000116199591 873306301 /nfs/dbraw/zinc/30/63/01/873306301.db2.gz VQVFAVBIHZHUJO-UONOGXRCSA-N 0 0 390.455 3.505 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCCOc4ccccc43)CC2)n1 ZINC000116952389 873797443 /nfs/dbraw/zinc/79/74/43/873797443.db2.gz KJPWXTNANOCFRG-LJQANCHMSA-N 0 0 380.492 3.572 10 0 GHAERN Cc1nn(C)c(=O)c(-c2nc(CN3CC=C(c4cccs4)CC3)cs2)c1C ZINC000177201321 882773264 /nfs/dbraw/zinc/77/32/64/882773264.db2.gz CMSDTNPRFORFKF-UHFFFAOYSA-N 0 0 398.557 3.871 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)Nc2cc3ccccc3cc2C(=O)OC)C1 ZINC000103979776 874043813 /nfs/dbraw/zinc/04/38/13/874043813.db2.gz VIPYGTFTWBNRAT-KRWDZBQOSA-N 0 0 382.460 3.604 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177514167 882810549 /nfs/dbraw/zinc/81/05/49/882810549.db2.gz DWZQYXVQVGQERG-AWEZNQCLSA-N 0 0 398.513 3.611 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177795440 882826150 /nfs/dbraw/zinc/82/61/50/882826150.db2.gz RIRPPSSIBWKBDL-OAHLLOKOSA-N 0 0 390.274 3.680 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H]1Cn1ccnc1 ZINC000177804130 882828045 /nfs/dbraw/zinc/82/80/45/882828045.db2.gz FAIPLUIOYLHPKV-ZDUSSCGKSA-N 0 0 392.937 3.955 10 0 GHAERN O=C(NCCc1ccc(Cl)nc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000177625414 882837460 /nfs/dbraw/zinc/83/74/60/882837460.db2.gz WXTVGGMAKSZUHM-UHFFFAOYSA-N 0 0 376.863 3.703 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161899382 874783696 /nfs/dbraw/zinc/78/36/96/874783696.db2.gz PNAXCLCCUIQDLS-WOJBJXKFSA-N 0 0 375.557 3.826 10 0 GHAERN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000178221636 882876124 /nfs/dbraw/zinc/87/61/24/882876124.db2.gz JWRRIEOOFKNCIS-GOSISDBHSA-N 0 0 391.431 3.694 10 0 GHAERN COc1ccccc1[C@@H](O)CNC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000105054208 875022400 /nfs/dbraw/zinc/02/24/00/875022400.db2.gz QDXBRXLXAIOIBL-FQEVSTJZSA-N 0 0 390.439 3.781 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000105195008 875109748 /nfs/dbraw/zinc/10/97/48/875109748.db2.gz SDMXCYCRZKZPQM-GOSISDBHSA-N 0 0 394.519 3.934 10 0 GHAERN COCc1cccc(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000178391018 882909374 /nfs/dbraw/zinc/90/93/74/882909374.db2.gz FEGNCKNPUYUHTM-IBGZPJMESA-N 0 0 387.501 3.948 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000178733333 882917016 /nfs/dbraw/zinc/91/70/16/882917016.db2.gz HDKJXAMJPUKVJB-AWEZNQCLSA-N 0 0 391.393 3.555 10 0 GHAERN C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C[C@@H](c2ccsc2)O1 ZINC000119541359 875314728 /nfs/dbraw/zinc/31/47/28/875314728.db2.gz PNIRRVYEWZGQKZ-HFAKWTLXSA-N 0 0 399.438 3.584 10 0 GHAERN COc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000178579173 882922975 /nfs/dbraw/zinc/92/29/75/882922975.db2.gz GYQJENWQZZDSJL-UHFFFAOYSA-N 0 0 392.908 3.579 10 0 GHAERN CCOc1ccc(CNC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1F ZINC000106033698 875711320 /nfs/dbraw/zinc/71/13/20/875711320.db2.gz JWTYONLEFJQCFD-UHFFFAOYSA-N 0 0 392.481 3.523 10 0 GHAERN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000120588727 876114990 /nfs/dbraw/zinc/11/49/90/876114990.db2.gz UHBIBTQQDXCWCO-UHFFFAOYSA-N 0 0 388.464 3.692 10 0 GHAERN Cn1c2ccccc2nc1[C@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179737216 882996740 /nfs/dbraw/zinc/99/67/40/882996740.db2.gz ODJWXABWULLPJP-FYYLOGMGSA-N 0 0 385.467 3.903 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)n1 ZINC000120736987 876252665 /nfs/dbraw/zinc/25/26/65/876252665.db2.gz FRWIAPPWXOHVQP-UHFFFAOYSA-N 0 0 385.411 3.807 10 0 GHAERN Fc1ccc(C(NCc2cccnc2-n2cncn2)c2ccc(F)cc2)cc1 ZINC000180122280 883021466 /nfs/dbraw/zinc/02/14/66/883021466.db2.gz NGYIVRHEQXHXLC-UHFFFAOYSA-N 0 0 377.398 3.820 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000179811069 883030237 /nfs/dbraw/zinc/03/02/37/883030237.db2.gz UGNUOAVBUJFEPU-CQSZACIVSA-N 0 0 387.505 3.896 10 0 GHAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000302853091 876479214 /nfs/dbraw/zinc/47/92/14/876479214.db2.gz WRJGNSSEGIAERK-AWEZNQCLSA-N 0 0 394.862 3.565 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000179933974 883039250 /nfs/dbraw/zinc/03/92/50/883039250.db2.gz NURAYCDJPDKJJD-MORSLUCNSA-N 0 0 392.862 3.621 10 0 GHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C1 ZINC000097505459 883086241 /nfs/dbraw/zinc/08/62/41/883086241.db2.gz WWEDYIGFUFHZKM-GFCCVEGCSA-N 0 0 398.463 3.855 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180852196 883103768 /nfs/dbraw/zinc/10/37/68/883103768.db2.gz QXEYWFBDAUUUSJ-UHFFFAOYSA-N 0 0 398.551 3.862 10 0 GHAERN C[C@H](SCC(=O)N1CCC(Cc2nccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000121953179 878066435 /nfs/dbraw/zinc/06/64/35/878066435.db2.gz SNOKYCGEDZDHCJ-HNNXBMFYSA-N 0 0 397.548 3.572 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnc(-c4ncccn4)s3)C2)cc1 ZINC000122005060 878220822 /nfs/dbraw/zinc/22/08/22/878220822.db2.gz JNSHHCXSBAZUHU-UKRRQHHQSA-N 0 0 380.473 3.627 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122035757 878238662 /nfs/dbraw/zinc/23/86/62/878238662.db2.gz UYGXHEOECGGKKW-WBVHZDCISA-N 0 0 387.501 3.507 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000122395365 878793423 /nfs/dbraw/zinc/79/34/23/878793423.db2.gz UVYQWKIXMNPMCF-AWEZNQCLSA-N 0 0 397.401 3.686 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000122643121 879238016 /nfs/dbraw/zinc/23/80/16/879238016.db2.gz VBKWQOHAGBSRKV-HOCLYGCPSA-N 0 0 380.391 3.679 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000123296982 880188852 /nfs/dbraw/zinc/18/88/52/880188852.db2.gz CLNMERSFRRHNMJ-PXRHPAFUSA-N 0 0 397.478 3.893 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC(=O)Nc2ccccc21 ZINC000181587672 883165059 /nfs/dbraw/zinc/16/50/59/883165059.db2.gz QNFLDHWRMJUUSA-MEDUHNTESA-N 0 0 384.304 3.810 10 0 GHAERN Cc1cccc(C(=O)N2CCCN(C(=O)c3c(C)cc(C)nc3Cl)CC2)c1 ZINC000181758707 883182462 /nfs/dbraw/zinc/18/24/62/883182462.db2.gz AXPDBZITFIXIEU-UHFFFAOYSA-N 0 0 385.895 3.649 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@H]3c4cc(C)ccc4C[C@@H]3C)CC2)no1 ZINC000181912038 883192126 /nfs/dbraw/zinc/19/21/26/883192126.db2.gz LFCYOHBNMDFHPT-VBKZILBWSA-N 0 0 396.491 3.585 10 0 GHAERN Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cnn(C)c2)c1 ZINC000182480031 883223206 /nfs/dbraw/zinc/22/32/06/883223206.db2.gz IICIMKDBLJTQTB-GOSISDBHSA-N 0 0 399.495 3.554 10 0 GHAERN CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(n3cncn3)CC2)cc1F ZINC000183533702 883269783 /nfs/dbraw/zinc/26/97/83/883269783.db2.gz ILVVKRGPNYOICR-UHFFFAOYSA-N 0 0 379.411 3.603 10 0 GHAERN Cc1nnc([C@@H](NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000183520379 883269838 /nfs/dbraw/zinc/26/98/38/883269838.db2.gz MFTMKFHJLKCPPR-YJYMSZOUSA-N 0 0 396.878 3.881 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000183796442 883287377 /nfs/dbraw/zinc/28/73/77/883287377.db2.gz OVBNKCKTZLGZAC-IWAYRVGRSA-N 0 0 379.382 3.535 10 0 GHAERN COc1ccccc1C(=O)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183797665 883287911 /nfs/dbraw/zinc/28/79/11/883287911.db2.gz ZKPFIYDIJCDPEP-KRWDZBQOSA-N 0 0 389.455 3.674 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1F ZINC000183580592 883288736 /nfs/dbraw/zinc/28/87/36/883288736.db2.gz UFWXCRYNPFYNSK-ZDUSSCGKSA-N 0 0 396.422 3.815 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3[C@H]2C)c2ccc(F)cc2C1 ZINC000184009901 883296747 /nfs/dbraw/zinc/29/67/47/883296747.db2.gz JYSPYBRGQZNWFV-QRQCRPRQSA-N 0 0 395.478 3.948 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)CC(C)C)c2ccc(F)cc2C1 ZINC000184008683 883296905 /nfs/dbraw/zinc/29/69/05/883296905.db2.gz QUXBDDKAXCERJT-LJQANCHMSA-N 0 0 377.504 3.991 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)Cc2cccs2)c2ccc(F)cc2C1 ZINC000184010256 883296933 /nfs/dbraw/zinc/29/69/33/883296933.db2.gz KMXZYIZDLFJHCH-ORAYPTAESA-N 0 0 389.496 3.611 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184015857 883299122 /nfs/dbraw/zinc/29/91/22/883299122.db2.gz HTYLVHXSNDBSMP-AOMKIAJQSA-N 0 0 397.494 3.858 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1C ZINC000184022328 883300112 /nfs/dbraw/zinc/30/01/12/883300112.db2.gz PAQUMTDQQNWNHR-UHFFFAOYSA-N 0 0 376.844 3.570 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3cc(F)ccc3C2)c2ccc(F)cc2C1 ZINC000184031751 883301498 /nfs/dbraw/zinc/30/14/98/883301498.db2.gz RPQLILYGMYGNMF-OAQYLSRUSA-N 0 0 399.441 3.526 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCCSCC(C)C)c2ccc(F)cc2C1 ZINC000184035969 883302001 /nfs/dbraw/zinc/30/20/01/883302001.db2.gz MHGNUWGQJQBVDW-LJQANCHMSA-N 0 0 395.544 3.698 10 0 GHAERN O=C(Nc1cccc(COCC2CC2)c1)N1CCCN(c2ccccn2)CC1 ZINC000184093520 883317020 /nfs/dbraw/zinc/31/70/20/883317020.db2.gz DOZJLGTUJAQQEY-UHFFFAOYSA-N 0 0 380.492 3.752 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)c1C ZINC000184052566 883331138 /nfs/dbraw/zinc/33/11/38/883331138.db2.gz ZHRWUXUSFYYRFA-GFCCVEGCSA-N 0 0 392.843 3.538 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1nc2ccccc2[nH]1 ZINC000184250161 883339923 /nfs/dbraw/zinc/33/99/23/883339923.db2.gz IVJJJVAUBVQWBE-FQEVSTJZSA-N 0 0 392.507 3.577 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)c(F)c2F)c2ccc(F)cc2C1 ZINC000184829523 883384817 /nfs/dbraw/zinc/38/48/17/883384817.db2.gz XIJBQLQIFFXOMI-OAHLLOKOSA-N 0 0 395.356 3.858 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N(C)CCc3ccc(F)cc3)C2)c1 ZINC000102463768 883425021 /nfs/dbraw/zinc/42/50/21/883425021.db2.gz LMYKVCKMYLDQPQ-SFHVURJKSA-N 0 0 385.483 3.545 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1NC(=O)C(C)(C)C ZINC000185335085 883437658 /nfs/dbraw/zinc/43/76/58/883437658.db2.gz GFCNIABOAYHREC-INIZCTEOSA-N 0 0 384.484 3.857 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2csc(C(C)C)n2)c2ccc(F)cc2C1 ZINC000185505452 883547166 /nfs/dbraw/zinc/54/71/66/883547166.db2.gz VFHIJNVWLBLGIV-MRXNPFEDSA-N 0 0 375.469 3.629 10 0 GHAERN COc1ccc(C[C@H](C)C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185508319 883547510 /nfs/dbraw/zinc/54/75/10/883547510.db2.gz PIYUAHYVKVFYOC-OYHNWAKOSA-N 0 0 398.478 3.623 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2nc(C)c(C)s2)c2ccc(F)cc2C1 ZINC000185515859 883548747 /nfs/dbraw/zinc/54/87/47/883548747.db2.gz NLRYJLBDVWRQBP-INIZCTEOSA-N 0 0 376.457 3.514 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CSc2ccccc2C)c2ccc(F)cc2C1 ZINC000185516554 883549141 /nfs/dbraw/zinc/54/91/41/883549141.db2.gz SKFPPZRZYRNXES-IBGZPJMESA-N 0 0 386.492 3.836 10 0 GHAERN CC[C@@H](C)Oc1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccn1 ZINC000185523603 883550333 /nfs/dbraw/zinc/55/03/33/883550333.db2.gz ZPLLGBTURRYUMW-JLTOFOAXSA-N 0 0 399.466 3.621 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2ccc(F)cc2C1 ZINC000185534796 883551040 /nfs/dbraw/zinc/55/10/40/883551040.db2.gz RMHQIXKMDWLQJD-AWEZNQCLSA-N 0 0 384.238 3.684 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc3ncsc3c2)c2ccc(F)cc2C1 ZINC000185533538 883551744 /nfs/dbraw/zinc/55/17/44/883551744.db2.gz DVCIFJCPDOJCFX-KRWDZBQOSA-N 0 0 383.448 3.659 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185547291 883553834 /nfs/dbraw/zinc/55/38/34/883553834.db2.gz SWFVUAGXXGEKTI-OPAMFIHVSA-N 0 0 382.479 3.922 10 0 GHAERN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186434237 883644665 /nfs/dbraw/zinc/64/46/65/883644665.db2.gz BWXYZTCYDUMABC-UHFFFAOYSA-N 0 0 392.528 3.790 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)n1 ZINC000186588492 883667205 /nfs/dbraw/zinc/66/72/05/883667205.db2.gz INKFUIYIZYQHMX-KRWDZBQOSA-N 0 0 376.504 3.770 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2NC1=O ZINC000186588323 883667585 /nfs/dbraw/zinc/66/75/85/883667585.db2.gz LNUUSLKHXGXJBW-UHFFFAOYSA-N 0 0 399.882 3.671 10 0 GHAERN COCC(=O)N1CCc2c1cccc2N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000186605358 883673803 /nfs/dbraw/zinc/67/38/03/883673803.db2.gz IHFOFWODUIQCGV-MRXNPFEDSA-N 0 0 393.487 3.522 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(OC4COC4)cc3)C2)cc1 ZINC000187207627 883766303 /nfs/dbraw/zinc/76/63/03/883766303.db2.gz ZDPHTJMDZAWAPJ-NVXWUHKLSA-N 0 0 382.460 3.883 10 0 GHAERN O=C(c1cc(Br)ncc1Cl)N1CC[C@@H](Nc2ccccc2)C1 ZINC000187478936 883793777 /nfs/dbraw/zinc/79/37/77/883793777.db2.gz AHFCEKVUTAWKKE-GFCCVEGCSA-N 0 0 380.673 3.824 10 0 GHAERN O=C(Oc1ccc2c(c1)CCC2=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000187577621 883800599 /nfs/dbraw/zinc/80/05/99/883800599.db2.gz UMHCNHYBFPYPJF-UHFFFAOYSA-N 0 0 376.412 3.779 10 0 GHAERN CCC(CC)[C@H]1C[C@@H](NC(=O)N2CCC(Nc3nccs3)CC2)CCO1 ZINC000187776899 883807509 /nfs/dbraw/zinc/80/75/09/883807509.db2.gz RJGFVYHGQNLINT-DLBZAZTESA-N 0 0 380.558 3.713 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000188078628 883821450 /nfs/dbraw/zinc/82/14/50/883821450.db2.gz HBCMSMJZQJIPSL-KRWDZBQOSA-N 0 0 391.254 3.702 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C)nc(C(F)(F)F)n3)C2)cc1 ZINC000188155795 883829011 /nfs/dbraw/zinc/82/90/11/883829011.db2.gz XBWLNOSFLKTODN-OCCSQVGLSA-N 0 0 379.382 3.831 10 0 GHAERN CC(C)c1ccc(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000188462964 883851553 /nfs/dbraw/zinc/85/15/53/883851553.db2.gz IHSGNEPUSGITSE-MAUKXSAKSA-N 0 0 375.900 3.783 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000188681048 883869897 /nfs/dbraw/zinc/86/98/97/883869897.db2.gz QOHREKMJCSGZMR-SFHVURJKSA-N 0 0 387.439 3.636 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1nc(-c2cccs2)cs1 ZINC000188679204 883870244 /nfs/dbraw/zinc/87/02/44/883870244.db2.gz UQNSPZPONHVYLQ-ZDUSSCGKSA-N 0 0 399.497 3.759 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N3CC=C(c4cccs4)CC3)c2)C[C@H](C)O1 ZINC000189049776 883900371 /nfs/dbraw/zinc/90/03/71/883900371.db2.gz ZATXSLKBUPMZCO-IYBDPMFKSA-N 0 0 383.517 3.686 10 0 GHAERN O=C(Nc1cnn(-c2ccccc2F)c1)N1CCC(Nc2nccs2)CC1 ZINC000189111963 883919863 /nfs/dbraw/zinc/91/98/63/883919863.db2.gz MTHZDYNIVOZBOE-UHFFFAOYSA-N 0 0 386.456 3.576 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000189113971 883920331 /nfs/dbraw/zinc/92/03/31/883920331.db2.gz SBNCZKZZWPADNL-RBUKOAKNSA-N 0 0 383.492 3.877 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccc1F)N1CC[C@]2(C1)OCc1ccccc12 ZINC000189588114 883966191 /nfs/dbraw/zinc/96/61/91/883966191.db2.gz UBYJQKOIVWIMTC-JOCHJYFZSA-N 0 0 392.434 3.734 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CC2(CCOCC2)c2ccccc21 ZINC000189791928 883995495 /nfs/dbraw/zinc/99/54/95/883995495.db2.gz BVTFKJVJOFDBLF-UHFFFAOYSA-N 0 0 394.496 3.830 10 0 GHAERN Cc1noc(-c2ccccc2C(=O)N2CC3(CCOCC3)c3ccccc32)n1 ZINC000189840341 884015668 /nfs/dbraw/zinc/01/56/68/884015668.db2.gz QYNGHFRBWMIYEH-UHFFFAOYSA-N 0 0 375.428 3.754 10 0 GHAERN O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000189971514 884029267 /nfs/dbraw/zinc/02/92/67/884029267.db2.gz OLTRGFXALFAJAA-CYBMUJFWSA-N 0 0 390.452 3.816 10 0 GHAERN O=C(CCc1nc(-c2ccccn2)no1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190285484 884064330 /nfs/dbraw/zinc/06/43/30/884064330.db2.gz DBZUWLDGEUJOGG-AWEZNQCLSA-N 0 0 398.413 3.749 10 0 GHAERN CC(C)(C)OC(=O)c1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190368067 884070810 /nfs/dbraw/zinc/07/08/10/884070810.db2.gz QXSRAKYDHHZBAG-UHFFFAOYSA-N 0 0 387.505 3.815 10 0 GHAERN Cc1cc(N2C[C@@H](c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2=O)ccc1F ZINC000190368360 884071089 /nfs/dbraw/zinc/07/10/89/884071089.db2.gz KPQUYAFAJLZQAE-YEWWUXTCSA-N 0 0 387.455 3.956 10 0 GHAERN O=C([C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190447796 884083291 /nfs/dbraw/zinc/08/32/91/884083291.db2.gz QQOKRDWUWACBQB-QWHCGFSZSA-N 0 0 381.423 3.767 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3nc(Br)ccc3C)CC2)n1 ZINC000190881421 884118896 /nfs/dbraw/zinc/11/88/96/884118896.db2.gz IIWZGRGOHAQCKY-UHFFFAOYSA-N 0 0 380.311 3.937 10 0 GHAERN CSc1cc(O)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000191180021 884142230 /nfs/dbraw/zinc/14/22/30/884142230.db2.gz IRXHCOWIWCEHGZ-UHFFFAOYSA-N 0 0 376.503 3.667 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191214390 884164223 /nfs/dbraw/zinc/16/42/23/884164223.db2.gz PETSIPSDMHRIBO-AWEZNQCLSA-N 0 0 393.455 3.778 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@@H](c3cccs3)C(C)(C)C)CCO2)cn1 ZINC000191282148 884167600 /nfs/dbraw/zinc/16/76/00/884167600.db2.gz JEUYDTONZZQBGQ-WBVHZDCISA-N 0 0 376.526 3.835 10 0 GHAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191530622 884196195 /nfs/dbraw/zinc/19/61/95/884196195.db2.gz FDSNPJFGVYGLQW-ZDUSSCGKSA-N 0 0 389.446 3.674 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N(c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000192059406 884231086 /nfs/dbraw/zinc/23/10/86/884231086.db2.gz VGTYTXKZXMCXAH-OAQYLSRUSA-N 0 0 396.462 3.500 10 0 GHAERN COc1ccc(NC(=O)[C@@H](C)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000192291014 884248957 /nfs/dbraw/zinc/24/89/57/884248957.db2.gz QZORBGIVPXQMDL-MRXNPFEDSA-N 0 0 396.487 3.599 10 0 GHAERN O=c1nc(CN2CC3(CCOCC3)c3ccccc32)[nH]c2sc3c(c21)CCC3 ZINC000192289560 884249066 /nfs/dbraw/zinc/24/90/66/884249066.db2.gz ODGLDLDJNVYKOX-UHFFFAOYSA-N 0 0 393.512 3.542 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000192371380 884254121 /nfs/dbraw/zinc/25/41/21/884254121.db2.gz LRPBMMYCIVEVLI-GUTXKFCHSA-N 0 0 378.498 3.698 10 0 GHAERN COc1cc(SC)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000192708229 884290206 /nfs/dbraw/zinc/29/02/06/884290206.db2.gz PFHMMHGJNRNAPA-UHFFFAOYSA-N 0 0 390.530 3.970 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000193263253 884334620 /nfs/dbraw/zinc/33/46/20/884334620.db2.gz TXWVXSBGUBDLRY-CQSZACIVSA-N 0 0 380.473 3.564 10 0 GHAERN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(CC)[nH]n2)[C@H]1c1ccccc1OC ZINC000102784916 884452037 /nfs/dbraw/zinc/45/20/37/884452037.db2.gz CKQUEGHBSIGFTF-DYESRHJHSA-N 0 0 398.507 3.699 10 0 GHAERN CN(Cc1ccc(F)cc1)C(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000102889798 884626828 /nfs/dbraw/zinc/62/68/28/884626828.db2.gz XMWLEXIPTZXCFS-UHFFFAOYSA-N 0 0 393.462 3.955 10 0 GHAERN COc1cccc2c1OC[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)C2 ZINC000102958508 884656596 /nfs/dbraw/zinc/65/65/96/884656596.db2.gz PYBDLMCTWYOFRX-YLJYHZDGSA-N 0 0 378.428 3.681 10 0 GHAERN COc1ccc(-c2nsc(NC(=O)c3coc(Br)c3)n2)cc1 ZINC000103035113 884710252 /nfs/dbraw/zinc/71/02/52/884710252.db2.gz GFAVFUATKKRLGQ-UHFFFAOYSA-N 0 0 380.223 3.822 10 0 GHAERN CCc1onc(C)c1C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1 ZINC000105370313 884766888 /nfs/dbraw/zinc/76/68/88/884766888.db2.gz SBQOPZDDCIWYPF-UHFFFAOYSA-N 0 0 385.445 3.637 10 0 GHAERN O=C(CC[S@](=O)Cc1coc(-c2ccc(F)cc2)n1)N1CCc2ccccc21 ZINC000105685550 884829090 /nfs/dbraw/zinc/82/90/90/884829090.db2.gz DKWKWOAKXCICEU-MUUNZHRXSA-N 0 0 398.459 3.709 10 0 GHAERN CSc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 ZINC000105894342 884900882 /nfs/dbraw/zinc/90/08/82/884900882.db2.gz WEMUQYWINSTXSC-KRWDZBQOSA-N 0 0 398.528 3.865 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000104461308 885458796 /nfs/dbraw/zinc/45/87/96/885458796.db2.gz GRNOIASCWRLSRV-UHFFFAOYSA-N 0 0 396.468 3.862 10 0 GHAERN CC(C)(C)c1cc(NC(=O)CCc2nc(-c3cccnc3)no2)n(C(C)(C)C)n1 ZINC000108951360 886090726 /nfs/dbraw/zinc/09/07/26/886090726.db2.gz YQPMIOSCSCRGED-UHFFFAOYSA-N 0 0 396.495 3.952 10 0 GHAERN O=C(c1cc(F)c(F)cc1Cl)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000109162618 886106510 /nfs/dbraw/zinc/10/65/10/886106510.db2.gz MVRLTRZQVFUICP-OAHLLOKOSA-N 0 0 380.826 3.913 10 0 GHAERN CCn1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 ZINC000110752661 886208219 /nfs/dbraw/zinc/20/82/19/886208219.db2.gz OWVSKABIGNCPHM-XVJNWHFHSA-N 0 0 378.398 3.736 10 0 GHAERN CCOc1cc(C)ccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112419968 886262083 /nfs/dbraw/zinc/26/20/83/886262083.db2.gz FZJGLPAWWQISQN-UHFFFAOYSA-N 0 0 387.505 3.835 10 0 GHAERN CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](c4nccs4)C3)cn2)CC1 ZINC000114821930 886328387 /nfs/dbraw/zinc/32/83/87/886328387.db2.gz BAANEOSSIAKFFW-SFHVURJKSA-N 0 0 399.564 3.864 10 0 GHAERN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000116253027 886358149 /nfs/dbraw/zinc/35/81/49/886358149.db2.gz FJKIIEUQVGXHPR-JXFKEZNVSA-N 0 0 399.922 3.725 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000117629193 886388337 /nfs/dbraw/zinc/38/83/37/886388337.db2.gz DZYAUSZCZSBKHL-KSFYIVLOSA-N 0 0 378.472 3.745 10 0 GHAERN C[C@H](C(=O)Nc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1)n1cccn1 ZINC000117605108 886388499 /nfs/dbraw/zinc/38/84/99/886388499.db2.gz NXWXTKVQWQIWII-STXHMFSFSA-N 0 0 390.443 3.586 10 0 GHAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117724389 886392619 /nfs/dbraw/zinc/39/26/19/886392619.db2.gz RBNNJKZPAPAYTK-UHFFFAOYSA-N 0 0 381.906 3.735 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC=C(c3cccs3)CC2)nn1-c1ccccc1F ZINC000117723699 886392837 /nfs/dbraw/zinc/39/28/37/886392837.db2.gz FNWFOKCVTOHHKP-UHFFFAOYSA-N 0 0 395.459 3.671 10 0 GHAERN COc1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)c(OC)c1OC ZINC000117959474 886396387 /nfs/dbraw/zinc/39/63/87/886396387.db2.gz YZCFJSJPPDDYGI-UHFFFAOYSA-N 0 0 388.489 3.773 10 0 GHAERN COc1cc(F)c([C@H](C)NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000119483203 886463042 /nfs/dbraw/zinc/46/30/42/886463042.db2.gz NFUPKROEKKUJBF-DJJJIMSYSA-N 0 0 392.427 3.588 10 0 GHAERN CN(C)C(=O)COc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000120778384 886532368 /nfs/dbraw/zinc/53/23/68/886532368.db2.gz NCPWBUIPFIQQOH-UHFFFAOYSA-N 0 0 397.450 3.614 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1cccc(N3CCCC3)c1)CCC2 ZINC000332674276 886538277 /nfs/dbraw/zinc/53/82/77/886538277.db2.gz AHSZACVSMKCNLL-IEBWSBKVSA-N 0 0 381.524 3.730 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)cc1 ZINC000332774616 886543277 /nfs/dbraw/zinc/54/32/77/886543277.db2.gz XNTWOLHBMBEINN-KTDPBYDISA-N 0 0 393.531 3.746 10 0 GHAERN CCO[C@H]1C[C@H](NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)C12CCOCC2 ZINC000332891767 886558375 /nfs/dbraw/zinc/55/83/75/886558375.db2.gz FIBNIGKHDRMQOL-UGUYLWEFSA-N 0 0 392.462 3.723 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000332928285 886562349 /nfs/dbraw/zinc/56/23/49/886562349.db2.gz MOSXDWCLPXVJAU-DSKINZAPSA-N 0 0 398.507 3.571 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccccc1N1CCCCCC1)CC2 ZINC000151826329 886624597 /nfs/dbraw/zinc/62/45/97/886624597.db2.gz VGNIFUQFZDKPLP-QGZVFWFLSA-N 0 0 396.539 3.918 10 0 GHAERN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)NCc1nnc2n1CCCC2 ZINC000041141816 886663232 /nfs/dbraw/zinc/66/32/32/886663232.db2.gz VJIQJZQFDDCJTK-RMKNXTFCSA-N 0 0 382.411 3.556 10 0 GHAERN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000123821588 886676813 /nfs/dbraw/zinc/67/68/13/886676813.db2.gz JZGDHYHGPCTJJA-UHFFFAOYSA-N 0 0 397.494 3.900 10 0 GHAERN O=C(c1cccc(N2CCOC2=O)c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124599869 886769649 /nfs/dbraw/zinc/76/96/49/886769649.db2.gz GVGPDQJMZQDJOQ-GOSISDBHSA-N 0 0 386.835 3.590 10 0 GHAERN O=C(CCCOc1ccc(F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042688811 886800471 /nfs/dbraw/zinc/80/04/71/886800471.db2.gz SVZOFEVXVOZBPS-UHFFFAOYSA-N 0 0 390.499 3.626 10 0 GHAERN CCCCCc1nnc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000043406387 886861755 /nfs/dbraw/zinc/86/17/55/886861755.db2.gz XQDGKJOKRPCUJU-CQSZACIVSA-N 0 0 399.524 3.725 10 0 GHAERN CN1C(=O)COc2ccc(NC(=O)N3CC=C(c4ccccc4F)CC3)cc21 ZINC000125456734 886867411 /nfs/dbraw/zinc/86/74/11/886867411.db2.gz WNHAOJPLBWTPSX-UHFFFAOYSA-N 0 0 381.407 3.502 10 0 GHAERN COc1ccc(CNC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1Cl ZINC000126494397 886973796 /nfs/dbraw/zinc/97/37/96/886973796.db2.gz PNOOMDOXVYVPFZ-UHFFFAOYSA-N 0 0 388.899 3.520 10 0 GHAERN COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1-c1ccccn1 ZINC000127120955 887034710 /nfs/dbraw/zinc/03/47/10/887034710.db2.gz UUTAVUGGTLCKGF-OAQYLSRUSA-N 0 0 378.428 3.872 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000045278921 887041419 /nfs/dbraw/zinc/04/14/19/887041419.db2.gz RIQAQKIGGZBHNY-OALUTQOASA-N 0 0 399.516 3.627 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000127604036 887083941 /nfs/dbraw/zinc/08/39/41/887083941.db2.gz CTWHPXPAKKNYQR-CXAGYDPISA-N 0 0 393.940 3.771 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000128052249 887139851 /nfs/dbraw/zinc/13/98/51/887139851.db2.gz XJZJSFUCTORKFW-KRWDZBQOSA-N 0 0 389.496 3.896 10 0 GHAERN COc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000047242195 887292075 /nfs/dbraw/zinc/29/20/75/887292075.db2.gz QHNUJTUDLKPBCW-VMPITWQZSA-N 0 0 399.878 3.634 10 0 GHAERN CC(C)n1cnc(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000154248224 887362541 /nfs/dbraw/zinc/36/25/41/887362541.db2.gz BANDFNPKBQPANX-MRXNPFEDSA-N 0 0 375.494 3.579 10 0 GHAERN CN(CCCOc1ccccc1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000048175998 887415008 /nfs/dbraw/zinc/41/50/08/887415008.db2.gz WNTLVGGYKDIKNW-UHFFFAOYSA-N 0 0 386.517 3.528 10 0 GHAERN O=C(NCc1cccc(N2CC=CC2)c1)NC1CCN(c2cccs2)CC1 ZINC000130895857 887485850 /nfs/dbraw/zinc/48/58/50/887485850.db2.gz XGJRGZVRVLCDQM-UHFFFAOYSA-N 0 0 382.533 3.593 10 0 GHAERN CC(=O)N(c1nc(CN2CCOC[C@@H]2c2cccn2C)cs1)c1ccccc1 ZINC000131818425 887578068 /nfs/dbraw/zinc/57/80/68/887578068.db2.gz CVAMEQDIMMCTJD-HXUWFJFHSA-N 0 0 396.516 3.740 10 0 GHAERN COCCCOc1cccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000131961301 887594990 /nfs/dbraw/zinc/59/49/90/887594990.db2.gz DWGSOUGNBHHMGJ-KRWDZBQOSA-N 0 0 389.521 3.648 10 0 GHAERN COc1cc(F)c(NC(=O)NC2CCN(c3cccs3)CC2)cc1OC ZINC000133519918 887773089 /nfs/dbraw/zinc/77/30/89/887773089.db2.gz NOQZHHCMSLSRNE-UHFFFAOYSA-N 0 0 379.457 3.695 10 0 GHAERN C[C@@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccncc1 ZINC000052499134 887845167 /nfs/dbraw/zinc/84/51/67/887845167.db2.gz VPAXUMPVSORQJW-OAHLLOKOSA-N 0 0 381.455 3.946 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000134395272 887867955 /nfs/dbraw/zinc/86/79/55/887867955.db2.gz OHVRUEBBZSTKKI-IERDGZPVSA-N 0 0 397.544 3.930 10 0 GHAERN Cc1nc2cc(NC(=O)C(=O)N3CCCCC[C@H]3c3c(C)n[nH]c3C)ccc2o1 ZINC000134646212 887895770 /nfs/dbraw/zinc/89/57/70/887895770.db2.gz QNNBAPIIBZFVIK-KRWDZBQOSA-N 0 0 395.463 3.559 10 0 GHAERN O=C(c1cc(-n2cccn2)ccn1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134943649 887929024 /nfs/dbraw/zinc/92/90/24/887929024.db2.gz GVIZKFUKKKVBSN-GOSISDBHSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccn1 ZINC000053164601 887932309 /nfs/dbraw/zinc/93/23/09/887932309.db2.gz BLGOQELCLLOSQC-UHFFFAOYSA-N 0 0 385.467 3.783 10 0 GHAERN CCCCOc1ccc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1OC ZINC000135254131 888225458 /nfs/dbraw/zinc/22/54/58/888225458.db2.gz XSSRLWSKECDXKX-YBHKSSGVSA-N 0 0 398.507 3.693 10 0 GHAERN CCN(C(=O)NCc1cccnc1-n1cncn1)[C@@H](C)c1cc2ccccc2o1 ZINC000056622934 888371663 /nfs/dbraw/zinc/37/16/63/888371663.db2.gz GUXHNOQAHDHGSU-HNNXBMFYSA-N 0 0 390.447 3.701 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CCO2)o1 ZINC000193733836 888520288 /nfs/dbraw/zinc/52/02/88/888520288.db2.gz MAFKAEFRBXKUDS-HXUWFJFHSA-N 0 0 399.491 3.982 10 0 GHAERN Cc1ccc(-c2cncc(C(=O)N3CCC(c4nc(N(C)C)no4)CC3)c2)cc1 ZINC000193962923 888544478 /nfs/dbraw/zinc/54/44/78/888544478.db2.gz AKRTXBRPFUAGLH-UHFFFAOYSA-N 0 0 391.475 3.526 10 0 GHAERN COc1cccc(C2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)c1 ZINC000194705318 888612241 /nfs/dbraw/zinc/61/22/41/888612241.db2.gz WPANVMRDAJCGJB-UHFFFAOYSA-N 0 0 392.499 3.837 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](c3cccs3)c3ncc[nH]3)cc2)CCC(=O)NC1=O ZINC000195105459 888646094 /nfs/dbraw/zinc/64/60/94/888646094.db2.gz GHEKENNIGMXNDI-NQIIRXRSSA-N 0 0 394.500 3.757 10 0 GHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[nH]c(Cc2ccccc2)n1 ZINC000195286423 888675821 /nfs/dbraw/zinc/67/58/21/888675821.db2.gz OUUGMCWYDHMUBM-CQSZACIVSA-N 0 0 394.456 3.585 10 0 GHAERN Cc1csc(C2CCN(CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)n1 ZINC000195319007 888677971 /nfs/dbraw/zinc/67/79/71/888677971.db2.gz GDKPSFITOXDNOU-UHFFFAOYSA-N 0 0 384.549 3.870 10 0 GHAERN O=C(CN1CCC[C@H](c2nccs2)C1)Nc1ccccc1Br ZINC000195346445 888681751 /nfs/dbraw/zinc/68/17/51/888681751.db2.gz SSHMDNPNDRIQQB-LBPRGKRZSA-N 0 0 380.311 3.724 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1cccc(Cl)c1 ZINC000245701631 889292877 /nfs/dbraw/zinc/29/28/77/889292877.db2.gz VMIBWKCRDAISON-RYQLBKOJSA-N 0 0 390.915 3.680 10 0 GHAERN Cc1sc2ncc(C(=O)N3[C@H](C)C[C@@H](c4ccccc4)[C@H]3C)c(=O)n2c1C ZINC000245867845 889890083 /nfs/dbraw/zinc/89/00/83/889890083.db2.gz IVFQWPDKYUVNDK-SUYBPPKGSA-N 0 0 381.501 3.780 10 0 GHAERN CC(=O)N(c1nc(CN2CCS[C@H]3COCC[C@H]32)cs1)c1ccccc1 ZINC000245909752 889997272 /nfs/dbraw/zinc/99/72/72/889997272.db2.gz MQMNQAGQCLQVDK-MSOLQXFVSA-N 0 0 389.546 3.534 10 0 GHAERN Cc1nn(C)c(Cl)c1C=CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000065818211 890189824 /nfs/dbraw/zinc/18/98/24/890189824.db2.gz OHAGGNPRFPSQDO-AATRIKPKSA-N 0 0 383.883 3.678 10 0 GHAERN CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246081407 890320922 /nfs/dbraw/zinc/32/09/22/890320922.db2.gz CASRWGGTAYBXGG-IPMKNSEASA-N 0 0 385.508 3.638 10 0 GHAERN CCN(C(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246161172 890527682 /nfs/dbraw/zinc/52/76/82/890527682.db2.gz UMGYWTHYZYMBQI-FUHWJXTLSA-N 0 0 399.514 3.541 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c1 ZINC000066626637 891125702 /nfs/dbraw/zinc/12/57/02/891125702.db2.gz WJRSWORMBIPBLA-BQYQJAHWSA-N 0 0 398.547 3.984 10 0 GHAERN O=C(NC1CCC(C(=O)N2CCC[C@H](c3nccs3)C2)CC1)C1CCCC1 ZINC000067048310 891140677 /nfs/dbraw/zinc/14/06/77/891140677.db2.gz CGDFYIMHLGWSGM-ADKAHSJRSA-N 0 0 389.565 3.714 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000068489823 891181654 /nfs/dbraw/zinc/18/16/54/891181654.db2.gz BZKFEZMYDVJVFD-MRXNPFEDSA-N 0 0 379.460 3.981 10 0 GHAERN C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000070670531 891217741 /nfs/dbraw/zinc/21/77/41/891217741.db2.gz FFCTZZMOZHQUJT-HNNXBMFYSA-N 0 0 392.459 3.744 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246714850 891300279 /nfs/dbraw/zinc/30/02/79/891300279.db2.gz NMGIPYMNWIOHRR-PWIZWCRZSA-N 0 0 394.471 3.634 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2)CCO1 ZINC000246736623 891302548 /nfs/dbraw/zinc/30/25/48/891302548.db2.gz NUKOFBKOSZVGNB-HRAATJIYSA-N 0 0 399.466 3.656 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246840145 891313652 /nfs/dbraw/zinc/31/36/52/891313652.db2.gz QJZPIRUEMQMIRQ-BHIYHBOVSA-N 0 0 385.508 3.638 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)oc2c1C(=O)CCC2 ZINC000246958301 891326563 /nfs/dbraw/zinc/32/65/63/891326563.db2.gz HRDBKMZYJREAHD-KXBFYZLASA-N 0 0 388.414 3.560 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247086908 891342856 /nfs/dbraw/zinc/34/28/56/891342856.db2.gz DMGBTGDRCFULJL-BXWFABGCSA-N 0 0 387.911 3.529 10 0 GHAERN C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000247350458 891371595 /nfs/dbraw/zinc/37/15/95/891371595.db2.gz YBRPRROYGBIROM-VJICWTENSA-N 0 0 391.471 3.589 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000247386314 891373436 /nfs/dbraw/zinc/37/34/36/891373436.db2.gz LUBFFRQKPWLTGP-BZUAXINKSA-N 0 0 393.553 3.933 10 0 GHAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000247462217 891379040 /nfs/dbraw/zinc/37/90/40/891379040.db2.gz QTTOQHFNNOMXEC-QRFQSNJMSA-N 0 0 394.544 3.512 10 0 GHAERN CN(C[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)C1)C(=O)OC(C)(C)C ZINC000247463793 891379251 /nfs/dbraw/zinc/37/92/51/891379251.db2.gz RBOIVTPEGVJODI-NVVBAYIOSA-N 0 0 384.520 3.606 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)OC(C)(C)C)o1 ZINC000248540262 891425366 /nfs/dbraw/zinc/42/53/66/891425366.db2.gz BEYJVCFUXLPFII-RNEVZHRXSA-N 0 0 389.496 3.708 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)n1 ZINC000248577528 891441907 /nfs/dbraw/zinc/44/19/07/891441907.db2.gz DVYDLDNYBOBWNC-ZMYBRWDISA-N 0 0 395.532 3.980 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2C[C@@H](C)C[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248639977 891450094 /nfs/dbraw/zinc/45/00/94/891450094.db2.gz WXLMPOLQEZHETQ-YRVVQQKDSA-N 0 0 375.488 3.743 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000249433955 891506153 /nfs/dbraw/zinc/50/61/53/891506153.db2.gz KIQVGGLVJQUVAQ-DOTOQJQBSA-N 0 0 397.924 3.815 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000249433960 891506343 /nfs/dbraw/zinc/50/63/43/891506343.db2.gz KIQVGGLVJQUVAQ-NVXWUHKLSA-N 0 0 397.924 3.815 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251658543 891636156 /nfs/dbraw/zinc/63/61/56/891636156.db2.gz HXIJCDHMSRUMDE-NUEKZKHPSA-N 0 0 394.302 3.844 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253554938 891879404 /nfs/dbraw/zinc/87/94/04/891879404.db2.gz WRAZLMIXQKGFNU-BPQIPLTHSA-N 0 0 391.471 3.675 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000253558338 891881169 /nfs/dbraw/zinc/88/11/69/891881169.db2.gz DUZASYDVZNEKAH-MSOLQXFVSA-N 0 0 391.874 3.842 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCNC[C@@H]1c1cccnc1 ZINC000261945597 892173552 /nfs/dbraw/zinc/17/35/52/892173552.db2.gz KZRZOWZMWLOARC-IIDMSEBBSA-N 0 0 376.287 3.665 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)cc1Cl ZINC000163024132 893074163 /nfs/dbraw/zinc/07/41/63/893074163.db2.gz WZILRFKHVGNCTF-IAQYHMDHSA-N 0 0 396.361 3.635 10 0 GHAERN COc1cc(CCC(=O)NCCc2c[nH]c3cccc(C)c23)cc(OC)c1OC ZINC000103129753 898067667 /nfs/dbraw/zinc/06/76/67/898067667.db2.gz OYQMNDUEWXVKRC-UHFFFAOYSA-N 0 0 396.487 3.794 10 0 GHAERN C[C@H](NC(=O)C[S@](=O)Cc1csc(Br)c1)c1cccs1 ZINC000103224379 898072845 /nfs/dbraw/zinc/07/28/45/898072845.db2.gz BDEMJESHYAGPAH-LXGOIASLSA-N 0 0 392.365 3.698 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000105043808 898182364 /nfs/dbraw/zinc/18/23/64/898182364.db2.gz HEMBTCSJMATNPY-CQSZACIVSA-N 0 0 381.436 3.557 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000105194745 898201320 /nfs/dbraw/zinc/20/13/20/898201320.db2.gz MJYTXKHNKSMSQM-GOSISDBHSA-N 0 0 394.519 3.934 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C12CCCC2 ZINC000333093374 899953681 /nfs/dbraw/zinc/95/36/81/899953681.db2.gz ZZUPJRPKCZPBBQ-KZNAEPCWSA-N 0 0 396.597 3.810 10 0 GHAERN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333871116 902385874 /nfs/dbraw/zinc/38/58/74/902385874.db2.gz BRUXXJRRCPRQPR-SGMGOOAPSA-N 0 0 385.938 3.645 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000282789810 904321446 /nfs/dbraw/zinc/32/14/46/904321446.db2.gz YTTUWPJHZJYAIC-XNTOXWQXSA-N 0 0 390.499 3.771 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176075968 905747090 /nfs/dbraw/zinc/74/70/90/905747090.db2.gz NNRKHURQMVSWCR-DYVFJYSZSA-N 0 0 382.501 3.654 10 0 GHAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182579086 907233017 /nfs/dbraw/zinc/23/30/17/907233017.db2.gz PZOFOABHACEYFQ-ZWKOTPCHSA-N 0 0 395.507 3.765 10 0 GHAERN COc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1OCC(F)(F)F ZINC000183597555 907417814 /nfs/dbraw/zinc/41/78/14/907417814.db2.gz CMXRBFQAVJRQAQ-LBPRGKRZSA-N 0 0 399.373 3.514 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCC(=O)N2CCc3ccccc32)cs1 ZINC000187083940 908033937 /nfs/dbraw/zinc/03/39/37/908033937.db2.gz QEBNUEVHYPKHKD-IBGZPJMESA-N 0 0 398.532 3.668 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N3CCC[C@H]3c3csc(C)n3)CC2)cs1 ZINC000188111572 908177978 /nfs/dbraw/zinc/17/79/78/908177978.db2.gz BKILEKPKJVQWLV-SFHVURJKSA-N 0 0 390.578 3.792 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(F)cc3Cl)CCO2)cn1 ZINC000189097629 908284255 /nfs/dbraw/zinc/28/42/55/908284255.db2.gz RXXRMPUCGXHBGT-YVEFUNNKSA-N 0 0 380.851 3.540 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)C1 ZINC000189128606 908288005 /nfs/dbraw/zinc/28/80/05/908288005.db2.gz RDTNCJWDSWVTTB-ZWKOTPCHSA-N 0 0 399.491 3.664 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 ZINC000189387535 908313851 /nfs/dbraw/zinc/31/38/51/908313851.db2.gz ZHHFGKPQZKQWMX-GXTWGEPZSA-N 0 0 384.358 3.699 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2c(C)noc2-c2ccccc2)cs1 ZINC000189448614 908324656 /nfs/dbraw/zinc/32/46/56/908324656.db2.gz AGKIINZYDDGFHU-INIZCTEOSA-N 0 0 396.472 3.717 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000190007192 908401132 /nfs/dbraw/zinc/40/11/32/908401132.db2.gz UKNLIRZUXXTPBF-APWZRJJASA-N 0 0 399.397 3.925 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000190110957 908428329 /nfs/dbraw/zinc/42/83/29/908428329.db2.gz SAJCJHGXKWNTMD-QUCCMNQESA-N 0 0 392.459 3.963 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC000190125865 908432804 /nfs/dbraw/zinc/43/28/04/908432804.db2.gz MVBMIDANELWWME-QZTJIDSGSA-N 0 0 388.468 3.797 10 0 GHAERN O=C(N[C@H]1CCOc2c(F)cccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000190999368 908556357 /nfs/dbraw/zinc/55/63/57/908556357.db2.gz ZQQMMWJRZVHYOF-DLBZAZTESA-N 0 0 399.470 3.514 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc3c([nH]c1=O)CCCCC3)CCCC2 ZINC000284633078 911961040 /nfs/dbraw/zinc/96/10/40/911961040.db2.gz OBMVQDDZVYTQFH-FQEVSTJZSA-N 0 0 394.519 3.646 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c3ccc(F)cc31)CCCC2 ZINC000284704214 911994515 /nfs/dbraw/zinc/99/45/15/911994515.db2.gz UKBQXTFTUMIXHF-IBGZPJMESA-N 0 0 394.450 3.669 10 0 GHAERN O=C(c1cnc2sccn2c1=O)N1CCC[C@H]1c1nc(C2CCCCC2)co1 ZINC000371063793 924412234 /nfs/dbraw/zinc/41/22/34/924412234.db2.gz MYPDCNWUTVUVDV-INIZCTEOSA-N 0 0 398.488 3.769 10 0 GHAERN COc1ccc(Br)cc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692460345 976491532 /nfs/dbraw/zinc/49/15/32/976491532.db2.gz FGMMNBVCWQVCQP-UHFFFAOYSA-N 0 0 378.266 3.935 10 0 GHAERN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000720645681 978048986 /nfs/dbraw/zinc/04/89/86/978048986.db2.gz XMHDHQKAJBJGAK-FUDCBSFHSA-N 0 0 395.525 3.670 10 0 GHAERN Cc1cc(C)c(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c(Cl)n1 ZINC000182014000 1014568751 /nfs/dbraw/zinc/56/87/51/1014568751.db2.gz GVWGHMVZSCUULF-UHFFFAOYSA-N 0 0 377.231 3.985 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2cccn2C)c2ccc(F)cc2C1 ZINC000185254033 1014577163 /nfs/dbraw/zinc/57/71/63/1014577163.db2.gz JSJLEPKRWGZNNO-TZIWHRDSSA-N 0 0 398.482 3.504 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCCc2csc(C)n2)c2ccc(F)cc2C1 ZINC000185529577 1014585328 /nfs/dbraw/zinc/58/53/28/1014585328.db2.gz WXXUBNQZQHJOON-IBGZPJMESA-N 0 0 389.496 3.523 10 0 GHAERN CC(=O)Nc1ccc(OC(=O)Cc2ccc(C(=O)c3ccc(C)cc3)n2C)cc1 ZINC000006070819 203827495 /nfs/dbraw/zinc/82/74/95/203827495.db2.gz FILYHFFLMZBUSY-UHFFFAOYSA-N 0 0 390.439 3.671 10 0 GHAERN COc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C)o4)no3)C2)cc1OC ZINC000001364756 203903003 /nfs/dbraw/zinc/90/30/03/203903003.db2.gz BJHRDJKCBPYUOY-OAHLLOKOSA-N 0 0 397.431 3.675 10 0 GHAERN CCC(=O)N1CCN(C(=O)c2cc3ccoc3n2Cc2ccccc2C)C[C@H]1C ZINC000004421792 204044899 /nfs/dbraw/zinc/04/48/99/204044899.db2.gz IXGVZOUZRQSOAU-QGZVFWFLSA-N 0 0 393.487 3.674 10 0 GHAERN Cc1ccccc1-c1nc2s/c(=C/c3ccc(Cl)c(Cl)c3)c(=O)n2n1 ZINC000006174300 204169393 /nfs/dbraw/zinc/16/93/93/204169393.db2.gz PEZJTPXBXKRFPI-OQLLNIDSSA-N 0 0 388.279 3.981 10 0 GHAERN C[C@@H](Cc1cccnc1)NC(=O)c1coc(COc2ccc3ncccc3c2)n1 ZINC000011818357 204354009 /nfs/dbraw/zinc/35/40/09/204354009.db2.gz UNRFMYJCRAXMQX-HNNXBMFYSA-N 0 0 388.427 3.558 10 0 GHAERN C[C@@H]1CCCCN1C(=O)[C@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250243 205009978 /nfs/dbraw/zinc/00/99/78/205009978.db2.gz SRVIETLJXKJGAO-NQIIRXRSSA-N 0 0 391.600 3.527 10 0 GHAERN COc1ccc(Nc2ncnc(Nc3ccc(Br)cn3)c2N)cc1 ZINC000040779739 205071897 /nfs/dbraw/zinc/07/18/97/205071897.db2.gz CNDUAHFILGEMDP-UHFFFAOYSA-N 0 0 387.241 3.712 10 0 GHAERN COc1cc(OC)c(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1Cl ZINC000040798531 205073397 /nfs/dbraw/zinc/07/33/97/205073397.db2.gz RMUURLWDQWMRRK-UHFFFAOYSA-N 0 0 386.843 3.920 10 0 GHAERN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccc(C)c3)C2=O)cc1 ZINC000059325921 205178752 /nfs/dbraw/zinc/17/87/52/205178752.db2.gz ATSOIFUSRKMXTI-BOPFTXTBSA-N 0 0 382.441 3.679 10 0 GHAERN COCCCNc1c(-c2ccccc2)nc2sc(C(=O)NC3CC3)c(C)n21 ZINC000064761323 205195876 /nfs/dbraw/zinc/19/58/76/205195876.db2.gz JFPBRHLUXONFKF-UHFFFAOYSA-N 0 0 384.505 3.712 10 0 GHAERN COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc2ncccc2c1)C(C)C ZINC000072010298 205302487 /nfs/dbraw/zinc/30/24/87/205302487.db2.gz CGYYPZLCWBGQNV-HXUWFJFHSA-N 0 0 377.444 3.637 10 0 GHAERN CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000238779150 206125242 /nfs/dbraw/zinc/12/52/42/206125242.db2.gz QVXVUACNNIWBIU-FRRDWIJNSA-N 0 0 388.460 3.969 10 0 biogenic GHAERN COc1ccc(Cc2cc(C(=O)N[C@@H](C)c3nc4cc(C)ccc4[nH]3)on2)cc1 ZINC000012097773 221151151 /nfs/dbraw/zinc/15/11/51/221151151.db2.gz HMAYUYDWUIEAGG-AWEZNQCLSA-N 0 0 390.443 3.950 10 0 GHAERN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccccc4)CC3)c12 ZINC000065301510 136162932 /nfs/dbraw/zinc/16/29/32/136162932.db2.gz DEMOPWQAEZKQKY-UHFFFAOYSA-N 0 0 380.517 3.841 10 0 GHAERN C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000504132058 533885884 /nfs/dbraw/zinc/88/58/84/533885884.db2.gz WKLORKLFLMTHHY-SHYJVSNKSA-N 0 0 392.580 3.565 10 0 GHAERN O=c1c2cc(Cl)ccc2[n-]c(=S)n1CCC[N@@H+]1CCc2ccccc2C1 ZINC000073659634 527459791 /nfs/dbraw/zinc/45/97/91/527459791.db2.gz LBRSEBKNHRICES-UHFFFAOYSA-N 0 0 385.920 3.787 10 0 GHAERN CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000002818865 570304729 /nfs/dbraw/zinc/30/47/29/570304729.db2.gz XXKCOYDUPAVGBE-GXDHUFHOSA-N 0 0 389.274 3.759 10 0 GHAERN CC(C)(C)OC(=O)NC1=CN(C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C ZINC000669371048 570372130 /nfs/dbraw/zinc/37/21/30/570372130.db2.gz RUMIDROKYJXEMG-UHFFFAOYSA-N 0 0 385.461 3.755 10 0 GHAERN CCN(C)c1nc(-c2cccc(C)c2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000035988838 570504725 /nfs/dbraw/zinc/50/47/25/570504725.db2.gz LMFAYEBMFCORAU-UHFFFAOYSA-N 0 0 378.451 3.977 10 0 GHAERN CN(C(=O)OC(C)(C)C)[C@H](C[C@@H]1CCCOC1)NC(=O)OCc1ccccc1 ZINC000095912908 571095249 /nfs/dbraw/zinc/09/52/49/571095249.db2.gz FVDZZYVEJZKLNE-ZWKOTPCHSA-N 0 0 392.496 3.923 10 0 GHAERN Cc1nc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1-c1c(Cl)cccc1Cl ZINC000102908257 837403085 /nfs/dbraw/zinc/40/30/85/837403085.db2.gz BMAMAXLOCZFZPA-HUUCEWRRSA-N 0 0 395.290 3.666 10 0 GHAERN COc1cc(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)ccc1Cl ZINC000588611484 834771629 /nfs/dbraw/zinc/77/16/29/834771629.db2.gz VQKYQPLNVQOMHX-DAXSKMNVSA-N 0 0 386.839 3.619 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2c1 ZINC000198136733 834851949 /nfs/dbraw/zinc/85/19/49/834851949.db2.gz IBGTWTZSQYDIHO-UHFFFAOYSA-N 0 0 379.504 3.716 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000117027101 834927606 /nfs/dbraw/zinc/92/76/06/834927606.db2.gz GHONURGYZIHDTR-VQIMIIECSA-N 0 0 395.551 3.957 10 0 GHAERN O=C(N1CCC[C@@H](Cn2cncn2)C1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000121855296 835117344 /nfs/dbraw/zinc/11/73/44/835117344.db2.gz KAVLYDSTGQHRHH-GOSISDBHSA-N 0 0 386.927 3.973 10 0 GHAERN Cc1cnn(-c2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2F)c1 ZINC000158133681 835238940 /nfs/dbraw/zinc/23/89/40/835238940.db2.gz ZOPCXXCVAGTKHZ-UHFFFAOYSA-N 0 0 396.470 3.540 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)C2)sc1C ZINC000329663257 835561683 /nfs/dbraw/zinc/56/16/83/835561683.db2.gz PDESIGMZCZNTSS-OALUTQOASA-N 0 0 397.544 3.515 10 0 GHAERN CC(C)(c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)c1ccc(Br)cc1 ZINC000329704502 835737779 /nfs/dbraw/zinc/73/77/79/835737779.db2.gz IVHALLQUFRUOJR-CABCVRRESA-N 0 0 392.297 3.694 10 0 GHAERN COc1ccc(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)cc1-c1ccccn1 ZINC000329747387 835858335 /nfs/dbraw/zinc/85/83/35/835858335.db2.gz ZIGWBNXCPGCQMM-JXFKEZNVSA-N 0 0 392.459 3.733 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCS(=O)(=O)CC[C@H]1C ZINC000588593471 835877637 /nfs/dbraw/zinc/87/76/37/835877637.db2.gz PIPIFHDUTZZBSJ-BLIJAFNYSA-N 0 0 389.517 3.824 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cnc1N1CCCC[C@@H]1C ZINC000296842253 835942765 /nfs/dbraw/zinc/94/27/65/835942765.db2.gz NYFYANMFPOCDBG-RDJZCZTQSA-N 0 0 383.500 3.646 10 0 GHAERN CCO[C@H]1C[C@@H](NC(=O)NCC2(c3ccc(F)cc3)CCC2)C12CCOCC2 ZINC000185977829 836823088 /nfs/dbraw/zinc/82/30/88/836823088.db2.gz KEVJJSCQGCLAOE-MOPGFXCFSA-N 0 0 390.499 3.521 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccncc1 ZINC000102548041 837182427 /nfs/dbraw/zinc/18/24/27/837182427.db2.gz ADONCYBYUJVBAV-RHSMWYFYSA-N 0 0 395.438 3.921 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C[C@H]3Sc4ccccc4NC3=O)c21 ZINC000103129835 837270484 /nfs/dbraw/zinc/27/04/84/837270484.db2.gz NIYLGOJUHMBOTN-GOSISDBHSA-N 0 0 379.485 3.638 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC[C@@H](c4nnc[nH]4)C3)sc2C1 ZINC000408426167 844329612 /nfs/dbraw/zinc/32/96/12/844329612.db2.gz RDMISXCBAHUBGJ-CHWSQXEVSA-N 0 0 388.541 3.824 10 0 GHAERN Cc1ccc(O)c(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000179607446 838547269 /nfs/dbraw/zinc/54/72/69/838547269.db2.gz NGAKLSKRZGABPM-UVLALUNPSA-N 0 0 382.504 3.847 10 0 GHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181733013 838613850 /nfs/dbraw/zinc/61/38/50/838613850.db2.gz JOROSTWQGLHSFA-OIISXLGYSA-N 0 0 385.512 3.801 10 0 GHAERN Cc1c(C(=O)N2C[C@H](O)C[C@H]2c2ccc(F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408065328 838707716 /nfs/dbraw/zinc/70/77/16/838707716.db2.gz YKSUFLQEUNJPBP-WBVHZDCISA-N 0 0 384.451 3.565 10 0 GHAERN O=C(Nc1ccc(Br)cc1Br)N[C@H]1CCCC[C@H]1O ZINC000408065308 838713882 /nfs/dbraw/zinc/71/38/82/838713882.db2.gz YHZRMNHIPVWDPX-NWDGAFQWSA-N 0 0 392.091 3.637 10 0 GHAERN CCc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O ZINC000303655090 839085061 /nfs/dbraw/zinc/08/50/61/839085061.db2.gz VCOVNUPUHFVHIK-WMZOPIPTSA-N 0 0 383.517 3.812 10 0 GHAERN COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc(Cl)c1OC(C)=O ZINC000002345628 839622796 /nfs/dbraw/zinc/62/27/96/839622796.db2.gz GFKPAHDAEJDVKI-CXUHLZMHSA-N 0 0 385.803 3.927 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N[C@@H]1CCc2cc(Br)ccc21 ZINC000332742586 844527613 /nfs/dbraw/zinc/52/76/13/844527613.db2.gz WDPVGCAGRPOUMX-QBPKDAKJSA-N 0 0 391.309 3.693 10 0 GHAERN O=C(/C=C\c1ccncn1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000588394521 840442842 /nfs/dbraw/zinc/44/28/42/840442842.db2.gz XQSNRLSHIKONBJ-STOZHHMFSA-N 0 0 382.222 3.536 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1 ZINC000332771648 844559968 /nfs/dbraw/zinc/55/99/68/844559968.db2.gz GRSNMPYNZSXENU-XIRDDKMYSA-N 0 0 378.398 3.842 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000106181201 840672405 /nfs/dbraw/zinc/67/24/05/840672405.db2.gz JEWHUWQDGRNMDT-CQSZACIVSA-N 0 0 396.322 3.552 10 0 GHAERN Cc1cnn([C@@H]2CCCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C2)c1 ZINC000106220171 840781313 /nfs/dbraw/zinc/78/13/13/840781313.db2.gz ASZXAGMCNIHTIH-QGZVFWFLSA-N 0 0 382.489 3.881 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(Cl)c1 ZINC000333312875 844597885 /nfs/dbraw/zinc/59/78/85/844597885.db2.gz FDSMEGDJSRODNJ-LROULRCXSA-N 0 0 375.900 3.942 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000332886955 844607619 /nfs/dbraw/zinc/60/76/19/844607619.db2.gz BJLPDGMWMCJETE-AEFFLSMTSA-N 0 0 397.523 3.668 10 0 GHAERN Cc1cc(C)n(-c2cncc(N3CCO[C@H](c4nc(C(C)(C)C)cs4)C3)n2)n1 ZINC000301216122 841154142 /nfs/dbraw/zinc/15/41/42/841154142.db2.gz YDBRASAWKQOBPW-HNNXBMFYSA-N 0 0 398.536 3.611 10 0 GHAERN Cc1cnn([C@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)c1 ZINC000301391701 841177964 /nfs/dbraw/zinc/17/79/64/841177964.db2.gz HKZHPPBCYHMXTA-INIZCTEOSA-N 0 0 382.468 3.943 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)CCO2)c1 ZINC000329248682 861199483 /nfs/dbraw/zinc/19/94/83/861199483.db2.gz SPTJASFBPUNYRS-GFCCVEGCSA-N 0 0 393.274 3.521 10 0 GHAERN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000408172960 841715689 /nfs/dbraw/zinc/71/56/89/841715689.db2.gz CPMCYFDHNCTHAQ-CYBMUJFWSA-N 0 0 398.894 3.968 10 0 GHAERN O=C(CCc1nc2ccccc2s1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987368 842228539 /nfs/dbraw/zinc/22/85/39/842228539.db2.gz FHNCJDYNBVWTRX-UHFFFAOYSA-N 0 0 399.560 3.870 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330239 861293494 /nfs/dbraw/zinc/29/34/94/861293494.db2.gz LPAYOEUXIXVPSJ-MAUKXSAKSA-N 0 0 386.471 3.707 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000247271896 842432804 /nfs/dbraw/zinc/43/28/04/842432804.db2.gz CEADOTFOTZOQOV-HZSPNIEDSA-N 0 0 393.318 3.943 10 0 GHAERN Cc1ccc(-c2nc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cs2)o1 ZINC000588434649 842512635 /nfs/dbraw/zinc/51/26/35/842512635.db2.gz RULBTBYMTAENRZ-WAYWQWQTSA-N 0 0 377.466 3.522 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)no1 ZINC000329354555 861319529 /nfs/dbraw/zinc/31/95/29/861319529.db2.gz FJDLKIFFAWCRPP-INIZCTEOSA-N 0 0 385.855 3.811 10 0 GHAERN COc1ccccc1N1C[C@H](C(=O)N2CCCC[C@H]2c2nc(C)cs2)CC1=O ZINC000328846794 842577437 /nfs/dbraw/zinc/57/74/37/842577437.db2.gz SEBQHWCAYJLTSK-WBVHZDCISA-N 0 0 399.516 3.567 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1cccc(COCCOc2ccccc2)c1 ZINC000588437269 842595632 /nfs/dbraw/zinc/59/56/32/842595632.db2.gz NOHGADUTJHPLMC-KTKRTIGZSA-N 0 0 375.428 3.724 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1occc1Br)CCCC2 ZINC000279224757 842726092 /nfs/dbraw/zinc/72/60/92/842726092.db2.gz PKSQKAQULRCPKE-AWEZNQCLSA-N 0 0 378.270 3.632 10 0 GHAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000588443504 842762238 /nfs/dbraw/zinc/76/22/38/842762238.db2.gz SJIQAZAEYIMUPF-LSDHHAIUSA-N 0 0 395.532 3.689 10 0 GHAERN CN(C)C(=O)c1ccc(CNC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000162791441 842864575 /nfs/dbraw/zinc/86/45/75/842864575.db2.gz FAHFDVOVGPMQRD-UHFFFAOYSA-N 0 0 381.451 3.526 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000162580412 843278288 /nfs/dbraw/zinc/27/82/88/843278288.db2.gz IBYIYNMYKCFNBB-UHFFFAOYSA-N 0 0 383.826 3.770 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000588451404 843291256 /nfs/dbraw/zinc/29/12/56/843291256.db2.gz RFWFUMFIQVQYPZ-FPLPWBNLSA-N 0 0 378.259 3.807 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000588452912 843318074 /nfs/dbraw/zinc/31/80/74/843318074.db2.gz ZNVPAXMEVOIMDY-CDNLZTBQSA-N 0 0 386.293 3.561 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000588455340 843346718 /nfs/dbraw/zinc/34/67/18/843346718.db2.gz RIBJTBDGNJLWSS-CNZFZVQHSA-N 0 0 387.277 3.766 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000112306967 843352206 /nfs/dbraw/zinc/35/22/06/843352206.db2.gz HRSVACHBNPHLHE-UHFFFAOYSA-N 0 0 384.501 3.525 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112307208 843352411 /nfs/dbraw/zinc/35/24/11/843352411.db2.gz PBHJYHQTOPRHDO-UHFFFAOYSA-N 0 0 398.528 3.703 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000112351655 843353336 /nfs/dbraw/zinc/35/33/36/843353336.db2.gz ZNYOOVXJYPCPPV-UHFFFAOYSA-N 0 0 385.464 3.890 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000123594226 843416534 /nfs/dbraw/zinc/41/65/34/843416534.db2.gz FVJRZTMFEGNZDQ-MAUKXSAKSA-N 0 0 381.314 3.594 10 0 GHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000408393435 843439904 /nfs/dbraw/zinc/43/99/04/843439904.db2.gz MHQCGSISVCFUKK-MRXNPFEDSA-N 0 0 383.471 3.856 10 0 GHAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121558256 843453765 /nfs/dbraw/zinc/45/37/65/843453765.db2.gz KNGDKWIEMWSALQ-ACJLOTCBSA-N 0 0 377.282 3.698 10 0 GHAERN C[C@H]1CCc2c(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)csc2C1 ZINC000021496996 843484753 /nfs/dbraw/zinc/48/47/53/843484753.db2.gz PGYBDPIIXWIWTO-LRDDRELGSA-N 0 0 375.515 3.521 10 0 GHAERN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000330299451 843594732 /nfs/dbraw/zinc/59/47/32/843594732.db2.gz HZULLRAGASOADE-OXQOHEQNSA-N 0 0 390.549 3.654 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330302241 843610477 /nfs/dbraw/zinc/61/04/77/843610477.db2.gz JKMSGZYJCBSICL-LIRRHRJNSA-N 0 0 388.464 3.641 10 0 GHAERN O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000408254649 843617538 /nfs/dbraw/zinc/61/75/38/843617538.db2.gz OBEPHPZQKXCXKL-UHFFFAOYSA-N 0 0 389.927 3.630 10 0 GHAERN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)cc1 ZINC000330315791 843667333 /nfs/dbraw/zinc/66/73/33/843667333.db2.gz PSQIWCHVHDETGS-UTKZUKDTSA-N 0 0 398.528 3.835 10 0 GHAERN CC(=O)N(C[C@H]1CCCN1C(=O)NC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000333043647 843895674 /nfs/dbraw/zinc/89/56/74/843895674.db2.gz FSJZVWSZZMLLIW-OUNSHVDWSA-N 0 0 389.927 3.771 10 0 GHAERN COC(=O)[C@@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccc(F)c(C)c1 ZINC000588474997 844651419 /nfs/dbraw/zinc/65/14/19/844651419.db2.gz SVONFXPTGKFUHE-FLJMFPIGSA-N 0 0 378.403 3.726 10 0 GHAERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@H]1CCCC[C@@H]1CO ZINC000332918426 844651702 /nfs/dbraw/zinc/65/17/02/844651702.db2.gz FYIBVLWLYMLBPD-KURKYZTESA-N 0 0 399.560 3.766 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1Nc1ccc(CC(N)=O)cc1 ZINC000246232921 844761351 /nfs/dbraw/zinc/76/13/51/844761351.db2.gz QMAITJCUSUUODU-IPMKNSEASA-N 0 0 387.524 3.695 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3Cl)CC2)n1 ZINC000151527927 845238557 /nfs/dbraw/zinc/23/85/57/845238557.db2.gz BSYVXZOPUJRNIW-UHFFFAOYSA-N 0 0 398.937 3.528 10 0 GHAERN Cc1oc2nc(CN3CCC[C@H]3c3nc4cc(C)ccc4[nH]3)nc(N)c2c1C ZINC000333432486 845246166 /nfs/dbraw/zinc/24/61/66/845246166.db2.gz NUIVYGRQYDPLMY-INIZCTEOSA-N 0 0 376.464 3.944 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000332984129 845268789 /nfs/dbraw/zinc/26/87/89/845268789.db2.gz ACGKGXCDMVCPPY-RZLSGREXSA-N 0 0 380.476 3.709 10 0 GHAERN C[C@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000588488497 845625044 /nfs/dbraw/zinc/62/50/44/845625044.db2.gz WMKTXZIEOKWACC-SZZPACECSA-N 0 0 397.313 3.750 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151868513 845919610 /nfs/dbraw/zinc/91/96/10/845919610.db2.gz ZXHOETQNYCOJTR-UHFFFAOYSA-N 0 0 387.867 3.543 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)sc1C ZINC000329547639 861631107 /nfs/dbraw/zinc/63/11/07/861631107.db2.gz HOIUUNJFNNVBDG-IAGOWNOFSA-N 0 0 391.581 3.751 10 0 GHAERN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000333608931 846591983 /nfs/dbraw/zinc/59/19/83/846591983.db2.gz ZURIPKCQTQFVLA-CVYDXHPNSA-N 0 0 383.517 3.650 10 0 GHAERN Cc1c(/C=C/C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cnn1C ZINC000152552508 847310523 /nfs/dbraw/zinc/31/05/23/847310523.db2.gz NQGDWLHDIUKOLP-URWSZGRFSA-N 0 0 384.427 3.623 10 0 GHAERN Cc1nc([C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2F)no1 ZINC000119901582 847613825 /nfs/dbraw/zinc/61/38/25/847613825.db2.gz SAWOXOPSLDDGKT-YXSDIZSPSA-N 0 0 384.455 3.875 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H](C)CCC3CCCCC3)CC2)n1 ZINC000115848274 847908827 /nfs/dbraw/zinc/90/88/27/847908827.db2.gz OAVWIYHANAPTEX-JKSUJKDBSA-N 0 0 377.533 3.515 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153545909 848627060 /nfs/dbraw/zinc/62/70/60/848627060.db2.gz UQZPMLMTNXHYGA-FQEVSTJZSA-N 0 0 388.464 3.747 10 0 GHAERN COCN1C(=O)CCc2cc(NC(=O)/C=C\c3ccnc4ccccc34)ccc21 ZINC000588562998 848826511 /nfs/dbraw/zinc/82/65/11/848826511.db2.gz SEOMUNCQALHQRQ-POHAHGRESA-N 0 0 387.439 3.770 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc3c(c1)NC(=O)C3(C)C)CCCC2 ZINC000295378737 848950421 /nfs/dbraw/zinc/95/04/21/848950421.db2.gz OYOSRBIFUWCLQF-LJQANCHMSA-N 0 0 392.503 3.506 10 0 GHAERN Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@]4(CCOC4)C3)c2)cs1 ZINC000153784740 849008328 /nfs/dbraw/zinc/00/83/28/849008328.db2.gz QLFYUQLUIAUXSJ-LYSGITKLSA-N 0 0 384.501 3.683 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000329126856 849323873 /nfs/dbraw/zinc/32/38/73/849323873.db2.gz YSHJPINAPSTXEK-LJQANCHMSA-N 0 0 395.532 3.945 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3csc([C@H]4CCCO4)n3)C2)c1 ZINC000155521914 849545323 /nfs/dbraw/zinc/54/53/23/849545323.db2.gz BNOWEUPOYYPYKP-FZKQIMNGSA-N 0 0 388.489 3.642 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(Br)cc1OC(F)(F)F ZINC000588574479 849558664 /nfs/dbraw/zinc/55/86/64/849558664.db2.gz VEVPJERISAQSCX-RQOWECAXSA-N 0 0 388.143 3.790 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)CC1 ZINC000329693069 862096027 /nfs/dbraw/zinc/09/60/27/862096027.db2.gz ARJNGINMZRMUOD-YRXWBPOGSA-N 0 0 390.572 3.860 10 0 GHAERN COc1cc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)ccc1N1CCCC1=O ZINC000333863935 851581106 /nfs/dbraw/zinc/58/11/06/851581106.db2.gz SHSCCIWIQHXAMR-OOZABLHZSA-N 0 0 383.492 3.722 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1C ZINC000101529741 851638135 /nfs/dbraw/zinc/63/81/35/851638135.db2.gz YSUKPHHLSAEILF-HDICACEKSA-N 0 0 397.519 3.593 10 0 GHAERN O=C(CSCc1coc(-c2ccc(F)cc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000101584986 851693379 /nfs/dbraw/zinc/69/33/79/851693379.db2.gz HWAROGSLGYUMIK-ZWKOTPCHSA-N 0 0 390.480 3.884 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000101770204 851897412 /nfs/dbraw/zinc/89/74/12/851897412.db2.gz BPCAQGMXCNKAET-CQSZACIVSA-N 0 0 399.457 3.788 10 0 GHAERN CC[S@](=O)c1ccccc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101880348 851974066 /nfs/dbraw/zinc/97/40/66/851974066.db2.gz KGNULKCMBLQNJF-HHHXNRCGSA-N 0 0 380.473 3.729 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000014573878 852327560 /nfs/dbraw/zinc/32/75/60/852327560.db2.gz JHITZNOSRVIZCP-ZDUSSCGKSA-N 0 0 390.405 3.834 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000246824374 853253011 /nfs/dbraw/zinc/25/30/11/853253011.db2.gz STEHWRXKCUKBFD-ZACQAIPSSA-N 0 0 391.302 3.672 10 0 GHAERN CC(C)[C@@H]1N(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000333963640 853280218 /nfs/dbraw/zinc/28/02/18/853280218.db2.gz ODCHXUOPGKWRBZ-HKUYNNGSSA-N 0 0 390.549 3.905 10 0 GHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334027896 853499200 /nfs/dbraw/zinc/49/92/00/853499200.db2.gz IRPMBGDIYVMRCT-NJSLBKSFSA-N 0 0 396.409 3.927 10 0 GHAERN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1CC(=O)N1CCCNC(=O)[C@H]1C ZINC000329981646 862477763 /nfs/dbraw/zinc/47/77/63/862477763.db2.gz NRKOQHLWCPCXIR-OAHLLOKOSA-N 0 0 388.899 3.571 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)cccc1N1CCNC1=O ZINC000164609736 853614192 /nfs/dbraw/zinc/61/41/92/853614192.db2.gz AEPYSHFRQSHBAX-AZUAARDMSA-N 0 0 397.519 3.669 10 0 GHAERN O=C([C@H](c1ccccc1)N1CCCCC1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171777501 853841263 /nfs/dbraw/zinc/84/12/63/853841263.db2.gz RNXGDBDNNOMBKE-MJGOQNOKSA-N 0 0 383.517 3.603 10 0 GHAERN Cc1cc(C)n(CCCNC(=O)C(C)(C)c2cccc(Br)c2)n1 ZINC000102322471 854284147 /nfs/dbraw/zinc/28/41/47/854284147.db2.gz CQMYPILQHWTRQV-UHFFFAOYSA-N 0 0 378.314 3.747 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123628421 854411647 /nfs/dbraw/zinc/41/16/47/854411647.db2.gz GEDIYJCAMZLXNJ-INMHGKMJSA-N 0 0 398.425 3.920 10 0 GHAERN COCc1cc(N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)nc(C(C)(C)C)n1 ZINC000123961126 854448677 /nfs/dbraw/zinc/44/86/77/854448677.db2.gz MLJGCSVPKFRNME-GOSISDBHSA-N 0 0 393.491 3.916 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000328686069 854508579 /nfs/dbraw/zinc/50/85/79/854508579.db2.gz GAYXABZQHCAKCF-ZRGWGRIASA-N 0 0 394.500 3.719 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC(=O)NC34CCC4)c3c2CCCC3)cc1 ZINC000328741052 854523227 /nfs/dbraw/zinc/52/32/27/854523227.db2.gz MCYOGGREQZXSAB-LJQANCHMSA-N 0 0 392.503 3.831 10 0 GHAERN O=C1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C2(CCC2)N1 ZINC000328743934 854525263 /nfs/dbraw/zinc/52/52/63/854525263.db2.gz NQDXFCYLMCPMSU-GFCCVEGCSA-N 0 0 396.818 3.679 10 0 GHAERN O=C1CC[C@@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C2(CCC2)N1 ZINC000328761354 854531574 /nfs/dbraw/zinc/53/15/74/854531574.db2.gz YFGUINXFJJYJHM-CYBMUJFWSA-N 0 0 384.910 3.875 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000330100519 862575509 /nfs/dbraw/zinc/57/55/09/862575509.db2.gz HUSNBMSRODDYLA-FUHIMQAGSA-N 0 0 386.879 3.883 10 0 GHAERN O=C([C@H]1CCCC(F)(F)C1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328806202 854543460 /nfs/dbraw/zinc/54/34/60/854543460.db2.gz LXXIAFZJIARVLH-QMTMVMCOSA-N 0 0 379.451 3.728 10 0 GHAERN O=C(Nc1ccccc1)Nc1cccc2c1CCN(c1ncnc3nc[nH]c31)C2 ZINC000068766421 854621966 /nfs/dbraw/zinc/62/19/66/854621966.db2.gz UJOODJLOMWGOCG-UHFFFAOYSA-N 0 0 385.431 3.560 10 0 GHAERN CCn1cc(C2CCN(c3ccnc(N[C@H]4CCCO[C@@H]4C(C)C)n3)CC2)cn1 ZINC000330120227 862591044 /nfs/dbraw/zinc/59/10/44/862591044.db2.gz GFFGJXGIHOFYLA-PZJWPPBQSA-N 0 0 398.555 3.693 10 0 GHAERN O=[S@](Cc1csc(-c2ccsc2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105667351 855130270 /nfs/dbraw/zinc/13/02/70/855130270.db2.gz DDGNBUIECSADPC-DEOSSOPVSA-N 0 0 377.472 3.964 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)s2)cs1 ZINC000246936681 855163311 /nfs/dbraw/zinc/16/33/11/855163311.db2.gz HKYSLDOXUAQRNT-KGLIPLIRSA-N 0 0 384.548 3.512 10 0 GHAERN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000163108685 855254807 /nfs/dbraw/zinc/25/48/07/855254807.db2.gz OGYYJHCVGPYREZ-MRVPVSSYSA-N 0 0 377.293 3.989 10 0 GHAERN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000163108799 855255059 /nfs/dbraw/zinc/25/50/59/855255059.db2.gz OGYYJHCVGPYREZ-QMMMGPOBSA-N 0 0 377.293 3.989 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)on1 ZINC000056420064 855403178 /nfs/dbraw/zinc/40/31/78/855403178.db2.gz DVGQUPNWNAGSJQ-QGZVFWFLSA-N 0 0 384.524 3.869 10 0 GHAERN Cc1cccn2c(=O)c(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cnc12 ZINC000180404166 855454529 /nfs/dbraw/zinc/45/45/29/855454529.db2.gz VQXBDOANETVJKE-GOSISDBHSA-N 0 0 389.455 3.569 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092220460 855542043 /nfs/dbraw/zinc/54/20/43/855542043.db2.gz ZKHDTUQJZIOSMG-UONOGXRCSA-N 0 0 379.382 3.719 10 0 GHAERN COc1cccc(C)c1NC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000194975466 856094637 /nfs/dbraw/zinc/09/46/37/856094637.db2.gz GDHIWONMLIEUGY-UHFFFAOYSA-N 0 0 383.496 3.580 10 0 GHAERN CC(=O)N1CCC(C(=O)Nc2ccc3oc(C)nc3c2)(c2ccccc2)CC1 ZINC000032804885 856260125 /nfs/dbraw/zinc/26/01/25/856260125.db2.gz KQYUBVPPGAKDNN-UHFFFAOYSA-N 0 0 377.444 3.655 10 0 GHAERN CC1=NN(c2ccc(C(=O)N3CCN([C@H](C)c4cccc(F)c4)CC3)cc2)CC1 ZINC000104121140 856312651 /nfs/dbraw/zinc/31/26/51/856312651.db2.gz JIRLFPRKBJPDSE-GOSISDBHSA-N 0 0 394.494 3.931 10 0 GHAERN CCN(C(=O)CN(C)CCc1ccccc1OC)c1nc2ccccc2s1 ZINC000104710274 856373477 /nfs/dbraw/zinc/37/34/77/856373477.db2.gz IUHYZKAIMCYJLW-UHFFFAOYSA-N 0 0 383.517 3.832 10 0 GHAERN CN[C@@]12C(=O)N(C3CCCCC3)C[C@]1(Cc1ccccc1)c1ccccc1N2C ZINC000048520846 856467260 /nfs/dbraw/zinc/46/72/60/856467260.db2.gz JLKYNRTWWRVALD-JWQCQUIFSA-N 0 0 389.543 3.708 10 0 GHAERN N[C@@H]1N=C(C=Cc2ccccc2)C=C(C(=O)Nc2cccc(Cl)c2Cl)N1 ZINC000048547898 856468453 /nfs/dbraw/zinc/46/84/53/856468453.db2.gz CFVRNUJJINJKOD-JBVUFVISSA-N 0 0 387.270 3.816 10 0 GHAERN CSc1ccc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)cc1 ZINC000186002241 856477612 /nfs/dbraw/zinc/47/76/12/856477612.db2.gz VLHDFAAYYNQLFZ-UHFFFAOYSA-N 0 0 385.537 3.984 10 0 GHAERN CC(C)c1nnc2n1C[C@@H](NC(=O)N[C@H]1c3ccccc3CCC1(C)C)CC2 ZINC000181673075 862966974 /nfs/dbraw/zinc/96/69/74/862966974.db2.gz VUTAQHWPNABPMK-LPHOPBHVSA-N 0 0 381.524 3.729 10 0 GHAERN CN1CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2C1=O ZINC000136467677 859504022 /nfs/dbraw/zinc/50/40/22/859504022.db2.gz IQCCQBXEFNYWNZ-GOSISDBHSA-N 0 0 379.460 3.739 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)C2)c1 ZINC000107255933 859791324 /nfs/dbraw/zinc/79/13/24/859791324.db2.gz WEHXHJULGCSLLE-KRWDZBQOSA-N 0 0 392.507 3.872 10 0 GHAERN C[C@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)c1ccc2c(c1)OCCO2 ZINC000163842206 859941830 /nfs/dbraw/zinc/94/18/30/859941830.db2.gz DNJWYCIUGFPPSZ-TYILLQQXSA-N 0 0 388.489 3.752 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1 ZINC000171469310 860425521 /nfs/dbraw/zinc/42/55/21/860425521.db2.gz RVQCBBGWNXPTJG-LJQANCHMSA-N 0 0 383.496 3.573 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000172125442 860432004 /nfs/dbraw/zinc/43/20/04/860432004.db2.gz DGVVQSKAYXJZDR-GOSISDBHSA-N 0 0 383.540 3.522 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)C2)n1 ZINC000173063291 860435856 /nfs/dbraw/zinc/43/58/56/860435856.db2.gz QHXVNTRIWYKKAC-WMZOPIPTSA-N 0 0 399.516 3.589 10 0 GHAERN CC(C)c1nc(C2(NCC(=O)N3c4ccccc4CC[C@H]3C)CCCC2)no1 ZINC000174243933 860447341 /nfs/dbraw/zinc/44/73/41/860447341.db2.gz BMXUFVYYVPKTET-MRXNPFEDSA-N 0 0 382.508 3.920 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000102903345 860620283 /nfs/dbraw/zinc/62/02/83/860620283.db2.gz JBFXUPPUAZZFOZ-QUCCMNQESA-N 0 0 396.466 3.737 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000173075442 860697426 /nfs/dbraw/zinc/69/74/26/860697426.db2.gz AGARPNDYBAWSOF-FGTMMUONSA-N 0 0 389.565 3.586 10 0 GHAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CCO2)[nH]1 ZINC000173089722 860756256 /nfs/dbraw/zinc/75/62/56/860756256.db2.gz GLRDBBARVIPUFQ-SFHVURJKSA-N 0 0 382.508 3.676 10 0 GHAERN Cc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CCO2)[nH]1 ZINC000173089730 860756388 /nfs/dbraw/zinc/75/63/88/860756388.db2.gz GLRDBBARVIPUFQ-GOSISDBHSA-N 0 0 382.508 3.676 10 0 GHAERN Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)CC1 ZINC000102578673 860765495 /nfs/dbraw/zinc/76/54/95/860765495.db2.gz MBZGWMRABSSYSH-SFHVURJKSA-N 0 0 385.552 3.609 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000102718641 860830292 /nfs/dbraw/zinc/83/02/92/860830292.db2.gz BJEVOILKQJKCDE-LJQANCHMSA-N 0 0 384.501 3.540 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3ccc(Br)cn3)n2)c1 ZINC000102910798 860898916 /nfs/dbraw/zinc/89/89/16/860898916.db2.gz UZNTYMDYALGDDG-UHFFFAOYSA-N 0 0 391.250 3.624 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000329023856 860953912 /nfs/dbraw/zinc/95/39/12/860953912.db2.gz IWRDFCJYDLDEGW-ZACQAIPSSA-N 0 0 393.409 3.749 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c2ccccc21 ZINC000329087396 861006999 /nfs/dbraw/zinc/00/69/99/861006999.db2.gz VDHPYPRBZUIMAX-AYEZKCMBSA-N 0 0 398.547 3.849 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000155494278 861016458 /nfs/dbraw/zinc/01/64/58/861016458.db2.gz QUGVNTYFRZCNES-DNVCBOLYSA-N 0 0 381.524 3.656 10 0 GHAERN Cc1nc2ccccc2n1CCNC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103246983 863923390 /nfs/dbraw/zinc/92/33/90/863923390.db2.gz VUVDNPZQAIBPTM-UHFFFAOYSA-N 0 0 375.476 3.676 10 0 GHAERN COC(=O)c1ccc(F)c(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000103315088 863955692 /nfs/dbraw/zinc/95/56/92/863955692.db2.gz ITVHWPSHJKSVIY-IBGZPJMESA-N 0 0 379.391 3.918 10 0 GHAERN CCCCc1nc2cc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)ccc2[nH]1 ZINC000103773532 864090001 /nfs/dbraw/zinc/09/00/01/864090001.db2.gz XXOAVWIBFIZBGS-UHFFFAOYSA-N 0 0 395.854 3.787 10 0 GHAERN COc1ccc(N(C(=O)c2cccc3c2O[C@@H](C)C(=O)N3)[C@@H](C)C2CC2)cc1 ZINC000103942871 864093282 /nfs/dbraw/zinc/09/32/82/864093282.db2.gz XROUKOZVFAKJOC-KBPBESRZSA-N 0 0 380.444 3.860 10 0 GHAERN C[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000103864131 864101206 /nfs/dbraw/zinc/10/12/06/864101206.db2.gz CLPSOKCLGHQVPL-YOEHRIQHSA-N 0 0 396.409 3.592 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000153753927 864106175 /nfs/dbraw/zinc/10/61/75/864106175.db2.gz IDOVCZIVUZIZIB-QZTJIDSGSA-N 0 0 382.512 3.958 10 0 GHAERN COc1ccc(-c2cnc(CN3CCC(c4nnc5ccccn54)CC3)o2)cc1 ZINC000104058273 864167287 /nfs/dbraw/zinc/16/72/87/864167287.db2.gz PBCOMOZUTYPXIO-UHFFFAOYSA-N 0 0 389.459 3.773 10 0 GHAERN CN(Cc1csc2ccccc12)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104260150 864228074 /nfs/dbraw/zinc/22/80/74/864228074.db2.gz CCSOGPWKRUWWBC-UHFFFAOYSA-N 0 0 383.864 3.803 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(-n2nc(C)cc2C)nc1 ZINC000104768930 864628826 /nfs/dbraw/zinc/62/88/26/864628826.db2.gz TZFBNIZDKMTCER-UHFFFAOYSA-N 0 0 379.464 3.599 10 0 GHAERN Cc1ccc(CN2C[C@H](C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2=O)cc1 ZINC000105003062 864804909 /nfs/dbraw/zinc/80/49/09/864804909.db2.gz PGCYFGWUUFZBAN-NFBKMPQASA-N 0 0 388.467 3.842 10 0 GHAERN C[C@]1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173493723 865924225 /nfs/dbraw/zinc/92/42/25/865924225.db2.gz AHXSUDKUDGNPMV-GCJKJVERSA-N 0 0 397.544 3.792 10 0 GHAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3c(F)c(F)cc(F)c3F)C2)n1 ZINC000193778892 881938782 /nfs/dbraw/zinc/93/87/82/881938782.db2.gz AKXNPMKQPFITNO-VIFPVBQESA-N 0 0 394.415 3.576 10 0 GHAERN CC(C)(C(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1)c1ccccc1 ZINC000105818627 866343734 /nfs/dbraw/zinc/34/37/34/866343734.db2.gz JPYSWVZLIHNGPS-UHFFFAOYSA-N 0 0 387.430 3.619 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000108951545 866576890 /nfs/dbraw/zinc/57/68/90/866576890.db2.gz VSESXLZXWILXFI-HXUWFJFHSA-N 0 0 389.503 3.819 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151088540 866689847 /nfs/dbraw/zinc/68/98/47/866689847.db2.gz QKEVZXPCCMDXMX-FZKQIMNGSA-N 0 0 378.266 3.963 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1-c1cc(C)cc(C)c1 ZINC000180205907 866899163 /nfs/dbraw/zinc/89/91/63/866899163.db2.gz KGHPSUTUKLVISX-GCJKJVERSA-N 0 0 382.508 3.956 10 0 GHAERN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632731 882042894 /nfs/dbraw/zinc/04/28/94/882042894.db2.gz CMVGMLYGSDSRSV-CQSZACIVSA-N 0 0 396.472 3.744 10 0 GHAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000171723720 882156336 /nfs/dbraw/zinc/15/63/36/882156336.db2.gz AWIWZLBGQLMOCK-OAHLLOKOSA-N 0 0 386.546 3.956 10 0 GHAERN O=C(C[C@H]1CCCc2ccccc21)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171812371 882162481 /nfs/dbraw/zinc/16/24/81/882162481.db2.gz XKVUVVOJGFEMFP-GOSISDBHSA-N 0 0 382.529 3.933 10 0 GHAERN CN(CCc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172007813 882182389 /nfs/dbraw/zinc/18/23/89/882182389.db2.gz YBDHIIQZNVRBDO-UHFFFAOYSA-N 0 0 390.936 3.955 10 0 GHAERN O=C(NCc1ccccc1OC1CCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172348299 882185565 /nfs/dbraw/zinc/18/55/65/882185565.db2.gz XLDJVERXWSORLI-UHFFFAOYSA-N 0 0 398.528 3.848 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000173822868 869149738 /nfs/dbraw/zinc/14/97/38/869149738.db2.gz OTWQOBMUOGOHKZ-ZDUSSCGKSA-N 0 0 389.399 3.738 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c(OC)c1 ZINC000172636095 882281569 /nfs/dbraw/zinc/28/15/69/882281569.db2.gz FSUDAHRDCQRAPO-NQIIRXRSSA-N 0 0 398.503 3.717 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1cc2ccccc2o1 ZINC000172698962 882286237 /nfs/dbraw/zinc/28/62/37/882286237.db2.gz YVVJLKUDMYFNNC-CRAIPNDOSA-N 0 0 377.444 3.700 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCCC[C@H]3c3ccc(C)o3)CC2)n1 ZINC000172557348 882296025 /nfs/dbraw/zinc/29/60/25/882296025.db2.gz RAFWLPYFCSFEJD-SFHVURJKSA-N 0 0 398.507 3.747 10 0 GHAERN CC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172748459 882305848 /nfs/dbraw/zinc/30/58/48/882305848.db2.gz SOTLRJZYODWYLH-UHFFFAOYSA-N 0 0 379.504 3.548 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172777147 882306757 /nfs/dbraw/zinc/30/67/57/882306757.db2.gz RHWFCSHRZIZONF-UHFFFAOYSA-N 0 0 390.443 3.591 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)c(Cl)c1 ZINC000172881423 882316149 /nfs/dbraw/zinc/31/61/49/882316149.db2.gz KCHQUQLKVNENTP-CYBMUJFWSA-N 0 0 389.858 3.604 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCCO3)C2)n1 ZINC000173946059 869854742 /nfs/dbraw/zinc/85/47/42/869854742.db2.gz XLIXYHWPJBGGCF-ULQDDVLXSA-N 0 0 380.554 3.947 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)CNC(=O)NC3CCCCC3)C2)n1 ZINC000173967686 869983517 /nfs/dbraw/zinc/98/35/17/869983517.db2.gz JUGAILAMRLRSQD-HNNXBMFYSA-N 0 0 392.569 3.604 10 0 GHAERN C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2ccc(F)cc2O1 ZINC000173521729 882376013 /nfs/dbraw/zinc/37/60/13/882376013.db2.gz UNVMTEPMJFSIMD-CYBMUJFWSA-N 0 0 388.464 3.554 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189984894 870316285 /nfs/dbraw/zinc/31/62/85/870316285.db2.gz SUNLPULONZNKEZ-QPSCCSFWSA-N 0 0 388.434 3.543 10 0 GHAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046494424 870435562 /nfs/dbraw/zinc/43/55/62/870435562.db2.gz RYKXMDBRAYRXRE-NHCUHLMSSA-N 0 0 390.487 3.902 10 0 GHAERN O=C(NCCc1cc(F)cc2c1OCOC2)N1CCC[C@H]1c1ccsc1 ZINC000047070291 870456309 /nfs/dbraw/zinc/45/63/09/870456309.db2.gz SAOJGIOACMEGAH-KRWDZBQOSA-N 0 0 376.453 3.843 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3cc4ccc(F)cc4nc3C)C2)c1 ZINC000102382781 882415146 /nfs/dbraw/zinc/41/51/46/882415146.db2.gz AHRDXZHZIIPNSZ-MRXNPFEDSA-N 0 0 393.462 3.947 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000194538246 870521112 /nfs/dbraw/zinc/52/11/12/870521112.db2.gz JZKMOMQAMRJFOT-IRXDYDNUSA-N 0 0 398.532 3.548 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)[C@]3(C)CCCc4ccccc43)C2)c1 ZINC000102383848 882416604 /nfs/dbraw/zinc/41/66/04/882416604.db2.gz JNJLILXEIMOSSF-MHECFPHRSA-N 0 0 378.516 3.932 10 0 GHAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000194988052 870534410 /nfs/dbraw/zinc/53/44/10/870534410.db2.gz CWFPOHYWDOGPOJ-TZMCWYRMSA-N 0 0 389.393 3.905 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174068313 882420614 /nfs/dbraw/zinc/42/06/14/882420614.db2.gz JRMLLXPCGSMWKF-LJQANCHMSA-N 0 0 399.491 3.732 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174067629 882421245 /nfs/dbraw/zinc/42/12/45/882421245.db2.gz JWHFTDFFRDRALO-BQYQJAHWSA-N 0 0 376.863 3.637 10 0 GHAERN COc1ccc(-n2ccc(C(=O)N3CCC(Nc4ccccc4F)CC3)n2)cc1 ZINC000174066870 882421297 /nfs/dbraw/zinc/42/12/97/882421297.db2.gz MMWHMWBRWAWNQL-UHFFFAOYSA-N 0 0 394.450 3.737 10 0 GHAERN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000056489432 870583112 /nfs/dbraw/zinc/58/31/12/870583112.db2.gz MNEYPXQLCQNOGI-UTKZUKDTSA-N 0 0 380.444 3.732 10 0 GHAERN O=C(N1CCC(Nc2ccccc2F)CC1)C1(c2ccccc2)CCOCC1 ZINC000174091045 882425324 /nfs/dbraw/zinc/42/53/24/882425324.db2.gz BVOUXPYBXSITGP-UHFFFAOYSA-N 0 0 382.479 3.977 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000103045109 871139271 /nfs/dbraw/zinc/13/92/71/871139271.db2.gz GOAJNUVRGICPHF-FOIQADDNSA-N 0 0 392.455 3.736 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1N1CCOC1=O ZINC000174957931 882509762 /nfs/dbraw/zinc/50/97/62/882509762.db2.gz KGLIDVLDZLOMGU-SFHVURJKSA-N 0 0 380.448 3.670 10 0 GHAERN O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035168 882518597 /nfs/dbraw/zinc/51/85/97/882518597.db2.gz QNQKYUVQQLYZBR-RCZVLFRGSA-N 0 0 394.559 3.922 10 0 GHAERN O=C(Cc1ccc(OC(F)(F)F)cc1)OCc1nccn1CC(F)(F)F ZINC000103219562 871493479 /nfs/dbraw/zinc/49/34/79/871493479.db2.gz ACMSCGLSRSYJCN-UHFFFAOYSA-N 0 0 382.260 3.630 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000175056694 882520499 /nfs/dbraw/zinc/52/04/99/882520499.db2.gz SOOCVCQBIDPWGB-GLCJEOIMSA-N 0 0 380.488 3.825 10 0 GHAERN CC(C)COc1ccc(CNC(=O)N2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000175380969 882549152 /nfs/dbraw/zinc/54/91/52/882549152.db2.gz RPSWPDPENCQNLK-OAQYLSRUSA-N 0 0 390.524 3.591 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)c1 ZINC000175404983 882552061 /nfs/dbraw/zinc/55/20/61/882552061.db2.gz VRRDMZHGQSHKJC-SFHVURJKSA-N 0 0 395.499 3.768 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)NC3CCN(c4ccc(C)cn4)CC3)C2)n1 ZINC000175279369 882564428 /nfs/dbraw/zinc/56/44/28/882564428.db2.gz KFEGMKFGCNTDSS-QGZVFWFLSA-N 0 0 399.564 3.713 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)NCCCNC(=O)OC(C)(C)C)cs2)cc1 ZINC000103444483 872000661 /nfs/dbraw/zinc/00/06/61/872000661.db2.gz XYZXYNIQYHHQQU-UHFFFAOYSA-N 0 0 389.521 3.692 10 0 GHAERN COc1c(C)cc(CN(C)Cn2nc(N(C)C)n(C(C)C)c2=S)cc1C ZINC000103458290 872015006 /nfs/dbraw/zinc/01/50/06/872015006.db2.gz SZZGONBCNORULX-UHFFFAOYSA-N 0 0 377.558 3.776 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C[C@H](C)C1 ZINC000163821592 872252434 /nfs/dbraw/zinc/25/24/34/872252434.db2.gz WOKZZYRKOBUWOD-DLBZAZTESA-N 0 0 389.565 3.704 10 0 GHAERN Cc1cc(-c2noc(CCC(=O)N[C@@H]3CCO[C@@H]3c3ccccc3)n2)ccc1F ZINC000175600977 882602339 /nfs/dbraw/zinc/60/23/39/882602339.db2.gz GIYBARYRGULXRW-WIYYLYMNSA-N 0 0 395.434 3.763 10 0 GHAERN CN(C(=O)NC1CCN(c2ncccn2)CC1)C1c2ccccc2-c2ccccc21 ZINC000175921937 882614631 /nfs/dbraw/zinc/61/46/31/882614631.db2.gz RIEINHGFBVVHQE-UHFFFAOYSA-N 0 0 399.498 3.857 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000175775885 882626555 /nfs/dbraw/zinc/62/65/55/882626555.db2.gz KQGINZHEMGVCGH-FOCLMDBBSA-N 0 0 376.460 3.547 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCOCc3ccccc3)C2)o1 ZINC000102141684 872637455 /nfs/dbraw/zinc/63/74/55/872637455.db2.gz AAUIAMGNCHZSJK-LJQANCHMSA-N 0 0 385.460 3.590 10 0 GHAERN O=S(=O)(N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)N1CCCCC1 ZINC000150875049 872683661 /nfs/dbraw/zinc/68/36/61/872683661.db2.gz GKXLGMHZZPQTKM-KRWDZBQOSA-N 0 0 394.928 3.598 10 0 GHAERN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176011985 882658550 /nfs/dbraw/zinc/65/85/50/882658550.db2.gz CLMPZMNLRUWUJW-GJZGRUSLSA-N 0 0 397.454 3.527 10 0 GHAERN CNC(=O)c1cc(OC)ccc1NC(=O)/C=C/c1ccc2ccc(Cl)cc2n1 ZINC000102301968 872893266 /nfs/dbraw/zinc/89/32/66/872893266.db2.gz OAQPQVJZAYSRIW-JXMROGBWSA-N 0 0 395.846 3.908 10 0 GHAERN C[C@@H](NC(=O)N(C)CCC1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176077746 882664943 /nfs/dbraw/zinc/66/49/43/882664943.db2.gz QZMVQBAOZFEDEL-CQSZACIVSA-N 0 0 384.517 3.902 10 0 GHAERN Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000102626025 873339058 /nfs/dbraw/zinc/33/90/58/873339058.db2.gz OMJACQLZFHJIRN-UHFFFAOYSA-N 0 0 385.851 3.584 10 0 GHAERN Cc1cccc([C@@H](NC(=O)N2CCC(c3ccnn3CCO)CC2)C(C)(C)C)c1 ZINC000176858006 882745613 /nfs/dbraw/zinc/74/56/13/882745613.db2.gz FZJSWWYJHFTQLV-OAQYLSRUSA-N 0 0 398.551 3.860 10 0 GHAERN C[C@@H](NC(=O)N1CCN(Cc2ccon2)CC1)c1cccc(Cl)c1Cl ZINC000176871701 882745912 /nfs/dbraw/zinc/74/59/12/882745912.db2.gz JDZNVFCSCWMMOX-GFCCVEGCSA-N 0 0 383.279 3.570 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000116837094 873726398 /nfs/dbraw/zinc/72/63/98/873726398.db2.gz IHUCLHZFVUAJGA-UHFFFAOYSA-N 0 0 385.895 3.792 10 0 GHAERN O=C1C[C@@H](c2cccc(F)c2)CN1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921187 873881760 /nfs/dbraw/zinc/88/17/60/873881760.db2.gz GTTLTENMZRWUNS-IEBWSBKVSA-N 0 0 382.435 3.665 10 0 GHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000177175921 882769589 /nfs/dbraw/zinc/76/95/89/882769589.db2.gz FAYPSGVKEYVFLL-IRXDYDNUSA-N 0 0 382.479 3.986 10 0 GHAERN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177509687 882809334 /nfs/dbraw/zinc/80/93/34/882809334.db2.gz UPQWGTPLNPVGKM-ZDUSSCGKSA-N 0 0 397.422 3.593 10 0 GHAERN CCNC(=O)COc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118011004 874316555 /nfs/dbraw/zinc/31/65/55/874316555.db2.gz VSLDFAUTRFAZJK-UHFFFAOYSA-N 0 0 385.489 3.584 10 0 GHAERN O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCC[C@H]1Cn1ccnc1 ZINC000177754978 882823806 /nfs/dbraw/zinc/82/38/06/882823806.db2.gz RBGJQTYXWKSRJM-FQEVSTJZSA-N 0 0 399.498 3.846 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)CCO2)o1 ZINC000119401673 875229125 /nfs/dbraw/zinc/22/91/25/875229125.db2.gz ILZKSFZDBVKFCD-FQEVSTJZSA-N 0 0 388.427 3.536 10 0 GHAERN CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000178929104 882937805 /nfs/dbraw/zinc/93/78/05/882937805.db2.gz WPPOPLDSXGRNKU-SFHVURJKSA-N 0 0 387.455 3.550 10 0 GHAERN COc1ccc(C(C)(C)CNC(=O)/C=C/c2cnc3ccccc3n2)cc1OC ZINC000105990054 875671284 /nfs/dbraw/zinc/67/12/84/875671284.db2.gz VZHOSNYMALNQGY-ZRDIBKRKSA-N 0 0 391.471 3.754 10 0 GHAERN COC(=O)c1c(F)cccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000179221752 882980945 /nfs/dbraw/zinc/98/09/45/882980945.db2.gz BIWUSLLTGVYTKW-UHFFFAOYSA-N 0 0 389.402 3.860 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)NCCCCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000179238305 882982220 /nfs/dbraw/zinc/98/22/20/882982220.db2.gz CUIZUHSQNKSFNU-QGZVFWFLSA-N 0 0 380.485 3.573 10 0 GHAERN O=C(N1CCC[C@@H](c2nccs2)C1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179478253 883001711 /nfs/dbraw/zinc/00/17/11/883001711.db2.gz USALKIWZSKLNPG-CQSZACIVSA-N 0 0 392.471 3.876 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179473996 883002533 /nfs/dbraw/zinc/00/25/33/883002533.db2.gz WORKTBLLTIBPFW-UHFFFAOYSA-N 0 0 377.448 3.796 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000179775707 883025415 /nfs/dbraw/zinc/02/54/15/883025415.db2.gz XTFWIODMUXIASP-HKUYNNGSSA-N 0 0 395.434 3.705 10 0 GHAERN COc1ccc(OC(F)F)c(CN2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000121036711 876454152 /nfs/dbraw/zinc/45/41/52/876454152.db2.gz JNKYBQQXTUHUBD-UHFFFAOYSA-N 0 0 396.478 3.911 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccnc3C(F)(F)F)C2)c1 ZINC000179927742 883038760 /nfs/dbraw/zinc/03/87/60/883038760.db2.gz NZUYPVQZARSBFO-LBPRGKRZSA-N 0 0 380.366 3.747 10 0 GHAERN C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCO1 ZINC000180044125 883047590 /nfs/dbraw/zinc/04/75/90/883047590.db2.gz SWHLUDPHGXPDSJ-LBPRGKRZSA-N 0 0 390.833 3.684 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cccc1N(C)C ZINC000180174476 883064247 /nfs/dbraw/zinc/06/42/47/883064247.db2.gz JPBVNOCUUKLAFS-INIZCTEOSA-N 0 0 378.480 3.515 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000180288356 883072703 /nfs/dbraw/zinc/07/27/03/883072703.db2.gz SMTWNNFTTPEGFB-MRXNPFEDSA-N 0 0 388.431 3.783 10 0 GHAERN NC(=O)COc1ccc(/C=C/C(=O)NC(c2cccs2)c2cccs2)cc1 ZINC000121368970 876954694 /nfs/dbraw/zinc/95/46/94/876954694.db2.gz LYKWSTAIXRVPDM-JXMROGBWSA-N 0 0 398.509 3.593 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000180705152 883095018 /nfs/dbraw/zinc/09/50/18/883095018.db2.gz BGHKWSQIUHONIM-UHFFFAOYSA-N 0 0 392.425 3.618 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000122216789 878562181 /nfs/dbraw/zinc/56/21/81/878562181.db2.gz DXCDHQOSZQGCCX-YJBOKZPZSA-N 0 0 380.444 3.670 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)nc21 ZINC000122997517 879772706 /nfs/dbraw/zinc/77/27/06/879772706.db2.gz MQXVHCCNXRMNKH-DOTOQJQBSA-N 0 0 383.517 3.980 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000150712066 879866683 /nfs/dbraw/zinc/86/66/83/879866683.db2.gz CEADOTFOTZOQOV-MGPQQGTHSA-N 0 0 393.318 3.943 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)Cc3csc(-c4ccccn4)n3)CC2)nc1 ZINC000181570171 883163707 /nfs/dbraw/zinc/16/37/07/883163707.db2.gz YKMFNFHSXURFAE-UHFFFAOYSA-N 0 0 394.500 3.521 10 0 GHAERN CS(=O)(=O)C[C@@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000181773634 883183683 /nfs/dbraw/zinc/18/36/83/883183683.db2.gz IYEGHAJGPFNOTB-QGZVFWFLSA-N 0 0 390.892 3.871 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N[C@H]3CCO[C@@H]3c3ccc(Cl)cc3)CC2)nc1 ZINC000182492995 883222582 /nfs/dbraw/zinc/22/25/82/883222582.db2.gz DLJVCTDXHNYVSP-PZJWPPBQSA-N 0 0 399.922 3.906 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000182588030 883227261 /nfs/dbraw/zinc/22/72/61/883227261.db2.gz UQDNYQFBUREFFS-HOTGVXAUSA-N 0 0 375.404 3.506 10 0 GHAERN Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183070323 883259606 /nfs/dbraw/zinc/25/96/06/883259606.db2.gz GDLQENKGLWRPOA-CYBMUJFWSA-N 0 0 378.274 3.943 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1C ZINC000184010770 883297792 /nfs/dbraw/zinc/29/77/92/883297792.db2.gz BJRPTTNWJFWWDH-AWEZNQCLSA-N 0 0 390.871 3.809 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184012327 883298123 /nfs/dbraw/zinc/29/81/23/883298123.db2.gz YMRMKMONLZLDQB-ZHRRBRCNSA-N 0 0 397.494 3.940 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCCC2CCCC2)c2ccc(F)cc2C1 ZINC000184021494 883299640 /nfs/dbraw/zinc/29/96/40/883299640.db2.gz NYLFPHWXEQDMBI-FQEVSTJZSA-N 0 0 375.488 3.889 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184022787 883300467 /nfs/dbraw/zinc/30/04/67/883300467.db2.gz WXXAZXBFOGFHRO-FQEVSTJZSA-N 0 0 387.430 3.600 10 0 GHAERN COc1ccc(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC(C)C ZINC000184197051 883326857 /nfs/dbraw/zinc/32/68/57/883326857.db2.gz IWYYGCXOELRMPI-LJQANCHMSA-N 0 0 395.463 3.820 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000184054668 883331456 /nfs/dbraw/zinc/33/14/56/883331456.db2.gz ORUOAYNBNJSLLS-YJYMSZOUSA-N 0 0 380.872 3.594 10 0 GHAERN O=C(NC1CCC(O)CC1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000184372827 883347253 /nfs/dbraw/zinc/34/72/53/883347253.db2.gz WEKJJSMHFUSNND-UYSNPLJNSA-N 0 0 385.277 3.738 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184835853 883384697 /nfs/dbraw/zinc/38/46/97/883384697.db2.gz JQFYNGMJCPYNQY-OAQYLSRUSA-N 0 0 381.451 3.929 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000185359467 883440477 /nfs/dbraw/zinc/44/04/77/883440477.db2.gz CKXRHMFCBHRVKN-QGZVFWFLSA-N 0 0 395.356 3.858 10 0 GHAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000185512260 883547682 /nfs/dbraw/zinc/54/76/82/883547682.db2.gz BBFOUQGJVIZYQX-FQEVSTJZSA-N 0 0 398.482 3.522 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cnc3ccc(F)cc3c2)c2ccc(F)cc2C1 ZINC000185515571 883548995 /nfs/dbraw/zinc/54/89/95/883548995.db2.gz SQILYZBIHRLYRJ-OAQYLSRUSA-N 0 0 395.409 3.736 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(OC(F)F)c2)c2ccc(F)cc2C1 ZINC000185533757 883551163 /nfs/dbraw/zinc/55/11/63/883551163.db2.gz NPCCXUQFPUMLBC-GOSISDBHSA-N 0 0 392.377 3.650 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc3nc(C)ccc3c2)c2ccc(F)cc2C1 ZINC000185539337 883553019 /nfs/dbraw/zinc/55/30/19/883553019.db2.gz XDFKYKBOXFEAHA-QFIPXVFZSA-N 0 0 391.446 3.906 10 0 GHAERN CCCc1nc(C)c(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185543043 883553981 /nfs/dbraw/zinc/55/39/81/883553981.db2.gz DKZOITRNDVOMOX-KRWDZBQOSA-N 0 0 389.496 3.766 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000185551553 883555630 /nfs/dbraw/zinc/55/56/30/883555630.db2.gz AAAPLTKATQHOFC-QFIPXVFZSA-N 0 0 382.479 3.985 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC[C@H](Nc4ccccc4)C3)ccc2NC1=O ZINC000186582709 883665992 /nfs/dbraw/zinc/66/59/92/883665992.db2.gz JLTIVEVSMVYLRW-SFHVURJKSA-N 0 0 379.464 3.772 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)ccc2NC1=O ZINC000186625973 883677004 /nfs/dbraw/zinc/67/70/04/883677004.db2.gz JJQSHPRUYOPBES-IBGZPJMESA-N 0 0 394.475 3.529 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)n1 ZINC000186783249 883702367 /nfs/dbraw/zinc/70/23/67/883702367.db2.gz BAXKCMZWOSDBDK-HNNXBMFYSA-N 0 0 396.413 3.578 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)CC2)n1 ZINC000186770435 883711398 /nfs/dbraw/zinc/71/13/98/883711398.db2.gz FBRGGFOANVJOLS-UXHICEINSA-N 0 0 390.487 3.799 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2ncc(Br)cc2F)c2ccccc2)[nH]1 ZINC000187149669 883753510 /nfs/dbraw/zinc/75/35/10/883753510.db2.gz UMHJDOUFYZUTEF-MGPLVRAMSA-N 0 0 390.260 3.850 10 0 GHAERN CSc1cccc(C)c1NC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000187211066 883766205 /nfs/dbraw/zinc/76/62/05/883766205.db2.gz XZWLDDBCGSLUBI-CYBMUJFWSA-N 0 0 375.519 3.518 10 0 GHAERN CSc1cccc(C)c1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000187211047 883766233 /nfs/dbraw/zinc/76/62/33/883766233.db2.gz XZWLDDBCGSLUBI-ZDUSSCGKSA-N 0 0 375.519 3.518 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1noc(-c2ccccc2)n1 ZINC000187582637 883800856 /nfs/dbraw/zinc/80/08/56/883800856.db2.gz XZPJXTFFRNGRRW-ZDUSSCGKSA-N 0 0 398.492 3.540 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC000188121748 883827474 /nfs/dbraw/zinc/82/74/74/883827474.db2.gz TZHDGPOSLKIPFP-ZBFHGGJFSA-N 0 0 379.526 3.905 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000188423417 883849314 /nfs/dbraw/zinc/84/93/14/883849314.db2.gz ZZEJLMRMEXHMOK-PZJWPPBQSA-N 0 0 380.488 3.684 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC[C@@H]4C)cc3C)CC2)n[nH]1 ZINC000188435414 883850329 /nfs/dbraw/zinc/85/03/29/883850329.db2.gz IWSZLDANUJNJLT-SFHVURJKSA-N 0 0 396.539 3.759 10 0 GHAERN CCc1nnc(-c2ccc(NC(=O)N3CCC(Nc4nccs4)CC3)cc2)o1 ZINC000189060830 883900492 /nfs/dbraw/zinc/90/04/92/883900492.db2.gz XDHKGEAXPWLPHG-UHFFFAOYSA-N 0 0 398.492 3.864 10 0 GHAERN Cc1nn(C)cc1NC(=O)N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000189694338 883986355 /nfs/dbraw/zinc/98/63/55/883986355.db2.gz QLNULFNXGQXGGO-OAQYLSRUSA-N 0 0 376.460 3.965 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@H]1C ZINC000189739957 884003912 /nfs/dbraw/zinc/00/39/12/884003912.db2.gz MWWFMHDMWQWNMQ-MWLCHTKSSA-N 0 0 389.677 3.765 10 0 GHAERN CCO[C@H]1C[C@@](NCc2ncc(-c3ccccc3Cl)o2)(C(=O)OC)C1(C)C ZINC000189825504 884015032 /nfs/dbraw/zinc/01/50/32/884015032.db2.gz JZVLLUIHKLULGE-OXJNMPFZSA-N 0 0 392.883 3.831 10 0 GHAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189838680 884015872 /nfs/dbraw/zinc/01/58/72/884015872.db2.gz UHOFYATYTPLOIF-RBUKOAKNSA-N 0 0 396.531 3.510 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000189920709 884023117 /nfs/dbraw/zinc/02/31/17/884023117.db2.gz JJDYCUTVADYSMS-UHFFFAOYSA-N 0 0 394.471 3.558 10 0 GHAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCOc3c(C)cccc32)c1 ZINC000189956654 884025813 /nfs/dbraw/zinc/02/58/13/884025813.db2.gz JELYPQNGUNGRSF-KRWDZBQOSA-N 0 0 393.892 3.696 10 0 GHAERN CN(CCCCNC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190397462 884059069 /nfs/dbraw/zinc/05/90/69/884059069.db2.gz KDHWOCWAIGVPBP-UHFFFAOYSA-N 0 0 387.553 3.646 10 0 GHAERN CC(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)Cc1ccccc1 ZINC000190747156 884121165 /nfs/dbraw/zinc/12/11/65/884121165.db2.gz XFWATCXGGALMLM-OAQYLSRUSA-N 0 0 393.531 3.565 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000191005159 884145555 /nfs/dbraw/zinc/14/55/55/884145555.db2.gz IVBNZZARJWIGSY-YJBOKZPZSA-N 0 0 392.459 3.853 10 0 GHAERN Cc1nc([C@@H](NC(=O)N[C@H]2CCOc3c(C)cccc32)c2ccccc2F)no1 ZINC000191208271 884164147 /nfs/dbraw/zinc/16/41/47/884164147.db2.gz MWTHBIQTONJGSN-ROUUACIJSA-N 0 0 396.422 3.738 10 0 GHAERN O=C(CSc1nnc2ccccn21)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191537585 884197976 /nfs/dbraw/zinc/19/79/76/884197976.db2.gz CFRFXHAGGPZXCM-ZDUSSCGKSA-N 0 0 388.443 3.506 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000191813484 884213149 /nfs/dbraw/zinc/21/31/49/884213149.db2.gz BKOPFOZRAHVKHB-AEFFLSMTSA-N 0 0 386.517 3.978 10 0 GHAERN COc1cc(SC)ccc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000192649680 884274955 /nfs/dbraw/zinc/27/49/55/884274955.db2.gz QMFWHTKQTFKGJE-CQSZACIVSA-N 0 0 397.504 3.871 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000102953530 884654701 /nfs/dbraw/zinc/65/47/01/884654701.db2.gz QKFKJXNHURTQFJ-FUHWJXTLSA-N 0 0 379.460 3.941 10 0 GHAERN COc1ccc(OC)c(CN(C(=O)NCc2cc(F)ccc2F)C2CC2)c1 ZINC000105286179 884695089 /nfs/dbraw/zinc/69/50/89/884695089.db2.gz YHLFUUJMYYIKAT-UHFFFAOYSA-N 0 0 376.403 3.856 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)c1ccccc1 ZINC000105987967 884941448 /nfs/dbraw/zinc/94/14/48/884941448.db2.gz WDDNAPCJJLDPLR-XPGWFJOJSA-N 0 0 394.471 3.705 10 0 GHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000103975270 885205500 /nfs/dbraw/zinc/20/55/00/885205500.db2.gz PXBYBKFWNAEDBR-INIZCTEOSA-N 0 0 395.478 3.693 10 0 GHAERN C[C@H](c1nc(-c2cccs2)no1)N1CCC(c2nnc3ccccn32)CC1 ZINC000104058217 885238677 /nfs/dbraw/zinc/23/86/77/885238677.db2.gz CTLATPQOWGGWKL-CYBMUJFWSA-N 0 0 380.477 3.781 10 0 GHAERN CNC(=O)[C@H]1CCCN1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000104359606 885390965 /nfs/dbraw/zinc/39/09/65/885390965.db2.gz YYTYKBVRMSOENW-CYBMUJFWSA-N 0 0 393.306 3.528 10 0 GHAERN Cn1c2ccccc2nc1[C@@H](NC(=O)NCc1cscn1)c1ccccc1 ZINC000102013112 885964368 /nfs/dbraw/zinc/96/43/68/885964368.db2.gz MSXPUJMAPRPFJS-SFHVURJKSA-N 0 0 377.473 3.619 10 0 GHAERN CCn1c(CN2CCC(NC(=O)C3CCCCC3)CC2)nc2c1cccc2F ZINC000103141695 885984276 /nfs/dbraw/zinc/98/42/76/885984276.db2.gz ZRPHSOREWRCENT-UHFFFAOYSA-N 0 0 386.515 3.856 10 0 GHAERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103315137 885989199 /nfs/dbraw/zinc/98/91/99/885989199.db2.gz HPFNKJKEAZDLKQ-OAQYLSRUSA-N 0 0 386.455 3.885 10 0 GHAERN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc4[nH]ccc4c3)C2)n1 ZINC000103580648 885996696 /nfs/dbraw/zinc/99/66/96/885996696.db2.gz NFGWIAKNNUAVMY-MRXNPFEDSA-N 0 0 377.448 3.754 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000106164758 886027191 /nfs/dbraw/zinc/02/71/91/886027191.db2.gz FVEWOZGQZKMHQS-UHFFFAOYSA-N 0 0 394.491 3.628 10 0 GHAERN CCc1cccc2c(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c[nH]c21 ZINC000109249188 886110913 /nfs/dbraw/zinc/11/09/13/886110913.db2.gz HUNPXHOYAZXYDH-UHFFFAOYSA-N 0 0 395.547 3.914 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2sccc2Br)CC1 ZINC000112306868 886257718 /nfs/dbraw/zinc/25/77/18/886257718.db2.gz LVTNDGYYHBRDEY-UHFFFAOYSA-N 0 0 399.335 3.560 10 0 GHAERN Cc1nn(C)c(Cl)c1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217170 886287371 /nfs/dbraw/zinc/28/73/71/886287371.db2.gz GUWNSVPWZFPXJH-HNNXBMFYSA-N 0 0 383.883 3.792 10 0 GHAERN Cc1noc(C)c1CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113603979 886297751 /nfs/dbraw/zinc/29/77/51/886297751.db2.gz CAYHQRZABVFMHW-KRWDZBQOSA-N 0 0 379.464 3.771 10 0 GHAERN Cc1noc(C)c1CCNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113618979 886298292 /nfs/dbraw/zinc/29/82/92/886298292.db2.gz YMYCASNUBHIEOV-GOSISDBHSA-N 0 0 393.491 3.813 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114809789 886327437 /nfs/dbraw/zinc/32/74/37/886327437.db2.gz QXKZWEJIXBCILE-GFCCVEGCSA-N 0 0 378.885 3.568 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000114861649 886330733 /nfs/dbraw/zinc/33/07/33/886330733.db2.gz BTNBFXHUQMQEKZ-VMPITWQZSA-N 0 0 376.382 3.612 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cc(F)c(Cl)nc3Cl)CC2)n1 ZINC000116670910 886368961 /nfs/dbraw/zinc/36/89/61/886368961.db2.gz KZLULHSWKYYKDU-UHFFFAOYSA-N 0 0 383.254 3.630 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000105133324 886385611 /nfs/dbraw/zinc/38/56/11/886385611.db2.gz RQQKQLWRDLRDGR-MRXNPFEDSA-N 0 0 395.503 3.989 10 0 GHAERN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000117708460 886391563 /nfs/dbraw/zinc/39/15/63/886391563.db2.gz LGASJSGGNBTUQQ-SUMWQHHRSA-N 0 0 385.291 3.517 10 0 GHAERN O=C(NCCCc1nc2ccccc2[nH]1)N1CCC(Nc2ccccc2F)CC1 ZINC000119506833 886466274 /nfs/dbraw/zinc/46/62/74/886466274.db2.gz UMQNBCWFKODOPP-UHFFFAOYSA-N 0 0 395.482 3.921 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000119701931 886475226 /nfs/dbraw/zinc/47/52/26/886475226.db2.gz ARJSWCPNOIVUOF-BLLLJJGKSA-N 0 0 378.398 3.601 10 0 GHAERN C[C@@H](c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1)N1CCOCC1 ZINC000332824313 886551155 /nfs/dbraw/zinc/55/11/55/886551155.db2.gz IBXVZOUFKPNIJJ-JXFKEZNVSA-N 0 0 381.476 3.725 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@H](C)NC(=O)C3CCCC3)C2)sc1C ZINC000332900278 886558303 /nfs/dbraw/zinc/55/83/03/886558303.db2.gz ONZHJAGQFOEMOH-GUYCJALGSA-N 0 0 377.554 3.551 10 0 GHAERN CN(C(=O)c1cccc(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)c1)c1ccccc1 ZINC000122375711 886587249 /nfs/dbraw/zinc/58/72/49/886587249.db2.gz VYIBOCTXTXBYRW-GHTZIAJQSA-N 0 0 393.487 3.996 10 0 GHAERN COc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1-c1ccccn1 ZINC000123597747 886653049 /nfs/dbraw/zinc/65/30/49/886653049.db2.gz GGHMYHDCJFUXJP-UHFFFAOYSA-N 0 0 390.487 3.586 10 0 GHAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000043046233 886827671 /nfs/dbraw/zinc/82/76/71/886827671.db2.gz UYGYCRMRSZMYDN-HNNXBMFYSA-N 0 0 392.927 3.795 10 0 GHAERN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000043948547 886910501 /nfs/dbraw/zinc/91/05/01/886910501.db2.gz WKMHHHXGNZXFFR-UHFFFAOYSA-N 0 0 397.500 3.548 10 0 GHAERN CC[C@H](C)n1ncc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1C1CC1 ZINC000126268731 886951326 /nfs/dbraw/zinc/95/13/26/886951326.db2.gz GAUURPUNUCGXJM-INIZCTEOSA-N 0 0 381.524 3.834 10 0 GHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126436799 886970253 /nfs/dbraw/zinc/97/02/53/886970253.db2.gz JKHCEKGDPULPIK-GOSISDBHSA-N 0 0 398.551 3.660 10 0 GHAERN O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000126523491 886978564 /nfs/dbraw/zinc/97/85/64/886978564.db2.gz VQEXBVIVHPKXLF-HXUWFJFHSA-N 0 0 376.460 3.523 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000105026749 887313495 /nfs/dbraw/zinc/31/34/95/887313495.db2.gz CTWNNYNPRJFOIJ-UHFFFAOYSA-N 0 0 395.503 3.946 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000105027568 887321421 /nfs/dbraw/zinc/32/14/21/887321421.db2.gz IUUIWQZLSZABOK-UHFFFAOYSA-N 0 0 395.503 3.914 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(NC(=O)N(C)C)cc3Cl)CCO2)o1 ZINC000133457064 887767016 /nfs/dbraw/zinc/76/70/16/887767016.db2.gz ALMCZAZQVICXFN-KRWDZBQOSA-N 0 0 391.855 3.549 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000134333099 887860594 /nfs/dbraw/zinc/86/05/94/887860594.db2.gz OXCLUWKZNWKMSW-GMAHTHKFSA-N 0 0 389.499 3.602 10 0 GHAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134342912 887860735 /nfs/dbraw/zinc/86/07/35/887860735.db2.gz RVZZIPOJKOHMAL-VBQJREDUSA-N 0 0 393.940 3.526 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000134376153 887865421 /nfs/dbraw/zinc/86/54/21/887865421.db2.gz NVRVGJVCDWRTQQ-KSSFIOAISA-N 0 0 396.318 3.632 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000134388626 887866967 /nfs/dbraw/zinc/86/69/67/887866967.db2.gz VTOWHGQNIYHOCT-RBBKRZOGSA-N 0 0 389.499 3.597 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)n1 ZINC000134854579 887920742 /nfs/dbraw/zinc/92/07/42/887920742.db2.gz VYSVHDQQKDEQAH-UHFFFAOYSA-N 0 0 391.397 3.732 10 0 GHAERN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1nnc2n1CCCC2 ZINC000135275738 888226806 /nfs/dbraw/zinc/22/68/06/888226806.db2.gz POMLKUBKHSJAEB-MRXNPFEDSA-N 0 0 376.460 3.684 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Nc3ccccc3SC(C)C)CC2)no1 ZINC000135418703 888238875 /nfs/dbraw/zinc/23/88/75/888238875.db2.gz KWCORZYKZCZFIZ-UHFFFAOYSA-N 0 0 389.525 3.618 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000054653528 888284355 /nfs/dbraw/zinc/28/43/55/888284355.db2.gz XQADIRSJCUSUPH-FCHUYYIVSA-N 0 0 392.499 3.575 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nnc4n3CCCCC4)on2)cc1 ZINC000056458447 888361979 /nfs/dbraw/zinc/36/19/79/888361979.db2.gz SAWGAPYJEIFTHT-SFHVURJKSA-N 0 0 391.475 3.945 10 0 GHAERN Cc1nc([C@@H](NC(=O)Nc2ccc(Cl)nc2C)c2ccccc2F)no1 ZINC000194695670 888632377 /nfs/dbraw/zinc/63/23/77/888632377.db2.gz WZPGDLMQKIQJGO-HNNXBMFYSA-N 0 0 375.791 3.785 10 0 GHAERN COc1ccc(OC)c2c1CN([C@@H](C)c1nc(-c3ccccc3C)no1)C[C@@H]2O ZINC000245494346 888794385 /nfs/dbraw/zinc/79/43/85/888794385.db2.gz NGIJKJNIDJKHCN-YOEHRIQHSA-N 0 0 395.459 3.672 10 0 GHAERN Cc1noc(C)c1CC(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245608924 889060235 /nfs/dbraw/zinc/06/02/35/889060235.db2.gz UGZHBHRTFYEGKL-QUCCMNQESA-N 0 0 393.890 3.967 10 0 GHAERN CCOc1ccc(-c2nc(CN3CCOC[C@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000245914375 890006798 /nfs/dbraw/zinc/00/67/98/890006798.db2.gz FDDSFHPCORWUJN-UYAOXDASSA-N 0 0 398.459 3.658 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@@H]2CCO[C@H]21 ZINC000246088039 890334540 /nfs/dbraw/zinc/33/45/40/890334540.db2.gz ITLXWLLZTQHKOC-MORSLUCNSA-N 0 0 378.432 3.825 10 0 GHAERN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000246220134 890752344 /nfs/dbraw/zinc/75/23/44/890752344.db2.gz YWOIXOSBKIFMSU-PMAPCBKXSA-N 0 0 392.499 3.800 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000067635065 891159806 /nfs/dbraw/zinc/15/98/06/891159806.db2.gz INIIVPIBESGABJ-QFBILLFUSA-N 0 0 394.475 3.600 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)c1ccc(C)o1 ZINC000246483743 891272925 /nfs/dbraw/zinc/27/29/25/891272925.db2.gz LQALKLWPTPSUHS-HRCADAONSA-N 0 0 378.494 3.635 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1NC(=O)c1ccccc1 ZINC000246661702 891296136 /nfs/dbraw/zinc/29/61/36/891296136.db2.gz CXPYNTNZLKEDHH-QKNQBKEWSA-N 0 0 378.472 3.935 10 0 GHAERN C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000246692507 891298466 /nfs/dbraw/zinc/29/84/66/891298466.db2.gz WRIYGJYXUFPQLI-DLVCFXQMSA-N 0 0 379.456 3.516 10 0 GHAERN Brc1cc2cccnc2c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246854834 891314936 /nfs/dbraw/zinc/31/49/36/891314936.db2.gz KWAVLZJOOKXVJK-CVEARBPZSA-N 0 0 379.323 3.704 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000247057650 891340047 /nfs/dbraw/zinc/34/00/47/891340047.db2.gz OYLHMVAYAPQXNU-VOQZNFBZSA-N 0 0 378.520 3.743 10 0 GHAERN Cc1cc(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247261464 891360633 /nfs/dbraw/zinc/36/06/33/891360633.db2.gz QKQKLKUQOXUBKF-FOIQADDNSA-N 0 0 399.560 3.750 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000247279853 891362404 /nfs/dbraw/zinc/36/24/04/891362404.db2.gz GZLKHDLPRNQRFG-PEYYIBSZSA-N 0 0 397.372 3.718 10 0 GHAERN CC1(C)[C@H](NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)[C@@H]2CCO[C@H]21 ZINC000247332640 891367918 /nfs/dbraw/zinc/36/79/18/891367918.db2.gz XZIQYINATRQVIA-XEJBSOEDSA-N 0 0 378.472 3.604 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247361657 891372130 /nfs/dbraw/zinc/37/21/30/891372130.db2.gz IRQUUAPNCCCPBQ-ZHALLVOQSA-N 0 0 376.485 3.590 10 0 GHAERN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247432416 891376397 /nfs/dbraw/zinc/37/63/97/891376397.db2.gz LHKPIWFJQPEVQP-QWFCFKBJSA-N 0 0 377.444 3.659 10 0 GHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000248430376 891435870 /nfs/dbraw/zinc/43/58/70/891435870.db2.gz RTGCORZYVIRVJQ-JGVFFNPUSA-N 0 0 396.378 3.622 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000248627887 891448697 /nfs/dbraw/zinc/44/86/97/891448697.db2.gz OLIPNFKHDXUWPO-VHDGCEQUSA-N 0 0 379.551 3.914 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@]23CCc2ccccc23)c2ccc(F)cc2C1 ZINC000248637713 891449731 /nfs/dbraw/zinc/44/97/31/891449731.db2.gz LBDVVLAMARADHZ-FIXSFTCYSA-N 0 0 392.474 3.639 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c2ccc(F)cc2C1 ZINC000248772298 891468312 /nfs/dbraw/zinc/46/83/12/891468312.db2.gz YIDSVQOVIXZLMO-XNKDMPNBSA-N 0 0 387.499 3.839 10 0 GHAERN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccccc1 ZINC000249051606 891490691 /nfs/dbraw/zinc/49/06/91/891490691.db2.gz OGNJXDMCFNNBNN-TZIWHRDSSA-N 0 0 378.476 3.528 10 0 GHAERN COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000102471832 898011160 /nfs/dbraw/zinc/01/11/60/898011160.db2.gz OUKKDLILRACRHS-AWEZNQCLSA-N 0 0 397.406 3.610 10 0 GHAERN CCc1cccc(CC)c1NC(=O)CN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931401 898050128 /nfs/dbraw/zinc/05/01/28/898050128.db2.gz XCYDEOBREPDBQU-UHFFFAOYSA-N 0 0 395.547 3.974 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000103881496 898112149 /nfs/dbraw/zinc/11/21/49/898112149.db2.gz YWWUUPJYXLINGQ-LLVKDONJSA-N 0 0 389.456 3.552 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C)c1nc(C)cs1 ZINC000105741701 898234357 /nfs/dbraw/zinc/23/43/57/898234357.db2.gz DLHYAONAJKTQMD-ZDUSSCGKSA-N 0 0 379.457 3.584 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000115207567 899169378 /nfs/dbraw/zinc/16/93/78/899169378.db2.gz MJBMCMYPAGQRGB-NYSBEXSLSA-N 0 0 396.535 3.505 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)cn1 ZINC000116524886 899280582 /nfs/dbraw/zinc/28/05/82/899280582.db2.gz NMJXDCFAQFCRGT-BLLLJJGKSA-N 0 0 376.913 3.810 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1ccc(Br)cc1)CCC2 ZINC000332696748 899857092 /nfs/dbraw/zinc/85/70/92/899857092.db2.gz ZJTNRUAITIJDCC-DZGCQCFKSA-N 0 0 391.313 3.892 10 0 GHAERN COC1([C@@H](C)NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCOCC1 ZINC000333126991 899983932 /nfs/dbraw/zinc/98/39/32/899983932.db2.gz AIURUEDQFQYXBS-SJLPKXTDSA-N 0 0 388.508 3.706 10 0 GHAERN CN(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183067949 907320303 /nfs/dbraw/zinc/32/03/03/907320303.db2.gz IODVXKLLWITFOQ-CQSZACIVSA-N 0 0 382.390 3.649 10 0 GHAERN CCCN(C(=O)c1ccccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1)C(C)C ZINC000183293433 907364206 /nfs/dbraw/zinc/36/42/06/907364206.db2.gz IMWBGZIFAXXJIZ-GOSISDBHSA-N 0 0 398.511 3.824 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)cs1 ZINC000187071571 908031125 /nfs/dbraw/zinc/03/11/25/908031125.db2.gz XAFUZEWIKGZWAT-PXAZEXFGSA-N 0 0 396.509 3.507 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(Br)c2)cs1 ZINC000189437629 908322184 /nfs/dbraw/zinc/32/21/84/908322184.db2.gz FMAZZWINMNXBJG-AWEZNQCLSA-N 0 0 394.294 3.516 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000190035716 908410145 /nfs/dbraw/zinc/41/01/45/908410145.db2.gz WYPIRJQGEVYRNA-FEHORCSSSA-N 0 0 398.850 3.581 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000190046893 908411655 /nfs/dbraw/zinc/41/16/55/908411655.db2.gz WNEPDYOYGFRRJG-LSBZLQRGSA-N 0 0 387.480 3.566 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3C[C@H](OC)C[C@@H]3c3nc(C)no3)o2)cc1 ZINC000190043562 908411722 /nfs/dbraw/zinc/41/17/22/908411722.db2.gz BXACKEBTEPIQBC-IAGOWNOFSA-N 0 0 381.432 3.803 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)C1 ZINC000190051067 908412999 /nfs/dbraw/zinc/41/29/99/908412999.db2.gz RDTNCJWDSWVTTB-ROUUACIJSA-N 0 0 399.491 3.664 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000190075314 908420392 /nfs/dbraw/zinc/42/03/92/908420392.db2.gz RMZLIYKCGPDERJ-YPMHNXCESA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000190138957 908437276 /nfs/dbraw/zinc/43/72/76/908437276.db2.gz ZESLUCRCBQZVNQ-CABCVRRESA-N 0 0 399.476 3.804 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CCO2)n1 ZINC000194352102 908938349 /nfs/dbraw/zinc/93/83/49/908938349.db2.gz HQKJMVCYJKBUIX-JKSUJKDBSA-N 0 0 391.468 3.587 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)cn1 ZINC000103809791 911081506 /nfs/dbraw/zinc/08/15/06/911081506.db2.gz RFRXMIGKEYRPEY-NRFANRHFSA-N 0 0 396.418 3.977 10 0 GHAERN Cc1cc(Br)oc1C(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000284489737 911890762 /nfs/dbraw/zinc/89/07/62/911890762.db2.gz CMMQILVUNQMSEG-CQSZACIVSA-N 0 0 392.297 3.940 10 0 GHAERN O=C(/C=C/c1ccccc1OC(F)F)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000361658122 916841596 /nfs/dbraw/zinc/84/15/96/916841596.db2.gz PGXBKFZZCZWHTD-CMDGGOBGSA-N 0 0 392.446 3.552 10 0 GHAERN C[C@@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000687673605 976153850 /nfs/dbraw/zinc/15/38/50/976153850.db2.gz UUIRFUUGGQGARC-JHJVBQTASA-N 0 0 383.514 3.575 10 0 GHAERN CCOC(=O)c1ccc(NCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000003467982 204009233 /nfs/dbraw/zinc/00/92/33/204009233.db2.gz TVAOTWIUPQQXDI-ATVHPVEESA-N 0 0 382.441 3.969 10 0 GHAERN CCOc1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(CC)cc1 ZINC000005033769 204104506 /nfs/dbraw/zinc/10/45/06/204104506.db2.gz LKEVGLHQBBXXOS-CQSZACIVSA-N 0 0 397.504 3.743 10 0 GHAERN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)NC[C@@H]1CCCO1 ZINC000005053127 204107234 /nfs/dbraw/zinc/10/72/34/204107234.db2.gz WLLIXQPUDXUSQX-FXAWDEMLSA-N 0 0 396.512 3.552 10 0 GHAERN COc1cc(C(=O)Nc2ccccc2F)c(Br)c(OC)c1OC ZINC000005660987 204144636 /nfs/dbraw/zinc/14/46/36/204144636.db2.gz UZQKRDRFMMUBMG-UHFFFAOYSA-N 0 0 384.201 3.866 10 0 GHAERN COc1ccc(OC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1 ZINC000005661636 204144947 /nfs/dbraw/zinc/14/49/47/204144947.db2.gz QCMJDUXJBJIWLV-UHFFFAOYSA-N 0 0 397.221 3.703 10 0 GHAERN COc1ccc(-c2cc(-c3cc(OC)ccc3OC)nc3ncnc(N)c32)cc1 ZINC000009694628 204321276 /nfs/dbraw/zinc/32/12/76/204321276.db2.gz ZCDFGSMEPAGEIA-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Cc1cc(C)n(CC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)n1 ZINC000011667940 204350289 /nfs/dbraw/zinc/35/02/89/204350289.db2.gz GJGRCPUHNHJYCM-HSZRJFAPSA-N 0 0 385.471 3.551 10 0 GHAERN Cc1c2cc(C)cc(CNC(=O)CN3CCC(O)CC3)c2[nH]c1-c1ccccc1 ZINC000011816770 204353921 /nfs/dbraw/zinc/35/39/21/204353921.db2.gz NTPJSPWIEIUOON-UHFFFAOYSA-N 0 0 391.515 3.525 10 0 GHAERN CSc1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)c2nonc2C)O3)cc1 ZINC000012038951 204368681 /nfs/dbraw/zinc/36/86/81/204368681.db2.gz NGVMVWXCZGOXFD-INIZCTEOSA-N 0 0 381.457 3.500 10 0 GHAERN CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1cc(CCc2ccccc2)no1 ZINC000012150974 204377276 /nfs/dbraw/zinc/37/72/76/204377276.db2.gz QZHUVCDEIUFAIB-UHFFFAOYSA-N 0 0 378.476 3.724 10 0 GHAERN Nc1nnc(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000020201611 204706339 /nfs/dbraw/zinc/70/63/39/204706339.db2.gz NEZJTBIQOVCENC-UHFFFAOYSA-N 0 0 389.484 3.698 10 0 GHAERN CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000033687141 204966679 /nfs/dbraw/zinc/96/66/79/204966679.db2.gz SBLAEYAKCGGIEJ-QHCPKHFHSA-N 0 0 393.531 3.847 10 0 GHAERN CCCN(CC(=O)c1c(C)[nH]c(C(=O)OCC)c1C)C(=O)c1ccc(C)cc1 ZINC000035988437 205000142 /nfs/dbraw/zinc/00/01/42/205000142.db2.gz ODBWSMQTIPACBQ-UHFFFAOYSA-N 0 0 384.476 3.852 10 0 GHAERN O=C(NC[C@H]1CCCO1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000035527296 204993787 /nfs/dbraw/zinc/99/37/87/204993787.db2.gz UTDZFTCLFCZQOA-LJQANCHMSA-N 0 0 375.428 3.845 10 0 GHAERN CCc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1 ZINC000038937359 205040691 /nfs/dbraw/zinc/04/06/91/205040691.db2.gz OLDJYSWECNTPCR-UHFFFAOYSA-N 0 0 388.533 3.621 10 0 GHAERN COc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)C(=O)[C@H]2C)cc1 ZINC000037521053 205027078 /nfs/dbraw/zinc/02/70/78/205027078.db2.gz PYWGLAGAKRKVDF-GFCCVEGCSA-N 0 0 393.270 3.880 10 0 GHAERN CCOC(=O)C[C@@H]1c2cc(-c3ccccc3)ccc2OC(N)=C1C(=O)OCC ZINC000043123169 205082759 /nfs/dbraw/zinc/08/27/59/205082759.db2.gz SKRXDYLNZWOTRL-QGZVFWFLSA-N 0 0 381.428 3.516 10 0 GHAERN Nc1c(Nc2ccccc2Br)ncnc1-n1cnc2ccccc21 ZINC000040781499 205072115 /nfs/dbraw/zinc/07/21/15/205072115.db2.gz ORLLHESRGBRSJW-UHFFFAOYSA-N 0 0 381.237 3.904 10 0 GHAERN COc1ccccc1CNc1nc2ccccc2nc1C(=O)OC[C@H]1CCCO1 ZINC000046141179 205104105 /nfs/dbraw/zinc/10/41/05/205104105.db2.gz RUCBRLIUFSMEGL-MRXNPFEDSA-N 0 0 393.443 3.586 10 0 GHAERN O=C(c1ccc2oc(=O)n(Cc3ccccc3)c2c1)N1CCc2ccccc2C1 ZINC000064893963 205200776 /nfs/dbraw/zinc/20/07/76/205200776.db2.gz CMJIKEIFSCXMIM-UHFFFAOYSA-N 0 0 384.435 3.841 10 0 GHAERN CC(C)CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCc1ccccc1F)CO2 ZINC000065082284 205209497 /nfs/dbraw/zinc/20/94/97/205209497.db2.gz KVMHDIKQEVIBJB-KRWDZBQOSA-N 0 0 384.451 3.678 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000065179470 205216485 /nfs/dbraw/zinc/21/64/85/205216485.db2.gz QBUJEPVORBRFIU-GOSISDBHSA-N 0 0 392.499 3.818 10 0 GHAERN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OCC(=O)OC)cc21 ZINC000001291521 220485780 /nfs/dbraw/zinc/48/57/80/220485780.db2.gz PRQPMCMNRRJFBP-UHFFFAOYSA-N 0 0 397.427 3.676 10 0 GHAERN COc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)ccc1OC(F)F ZINC000035657303 533471814 /nfs/dbraw/zinc/47/18/14/533471814.db2.gz UPPUJEHSFLMKJJ-UKTHLTGXSA-N 0 0 376.384 3.559 10 0 GHAERN COc1ccccc1CC(=O)Nc1ccc2c(c1)ncnc2N1CCCCC1 ZINC000065134966 136159441 /nfs/dbraw/zinc/15/94/41/136159441.db2.gz CAYPZJHZHLMIMS-UHFFFAOYSA-N 0 0 376.460 3.810 10 0 GHAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087519 136177708 /nfs/dbraw/zinc/17/77/08/136177708.db2.gz UVRYHDJYBOHTFZ-OAHLLOKOSA-N 0 0 397.523 3.945 10 0 GHAERN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2ccccc2nc1NC1CC1 ZINC000095090882 136177747 /nfs/dbraw/zinc/17/77/47/136177747.db2.gz NTUGXAXCTFMCOG-CQSZACIVSA-N 0 0 383.496 3.650 10 0 GHAERN C[C@@H]1CCCC[C@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000103581402 136191142 /nfs/dbraw/zinc/19/11/42/136191142.db2.gz SJSJFFFPGAOERB-LDJQZATESA-N 0 0 379.460 3.579 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1nccn1Cc1ccccc1)CCCC2 ZINC000275696137 527094786 /nfs/dbraw/zinc/09/47/86/527094786.db2.gz XGPPPCAVFJUKLI-OAQYLSRUSA-N 0 0 375.520 3.881 10 0 GHAERN Brc1c(CSc2nnc(-c3ccccc3)o2)nc2ncccn12 ZINC000004150376 570759488 /nfs/dbraw/zinc/75/94/88/570759488.db2.gz KXAYGCSCNMCKTL-UHFFFAOYSA-N 0 0 388.250 3.834 10 0 GHAERN COc1ccc(SCCC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000104403913 837420918 /nfs/dbraw/zinc/42/09/18/837420918.db2.gz OOICGLXKKJLRDU-LJQANCHMSA-N 0 0 382.489 3.510 10 0 GHAERN C[C@H](NC(=O)NC1CCC(C(F)(F)F)CC1)c1ccc(-n2ccnn2)cc1 ZINC000121709946 834416836 /nfs/dbraw/zinc/41/68/36/834416836.db2.gz KXTVGEWJOXQBNR-GRTSSRMGSA-N 0 0 381.402 3.749 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c2ccccc2O1 ZINC000152729754 834528816 /nfs/dbraw/zinc/52/88/16/834528816.db2.gz RFODDQWXIUXYBR-QUCCMNQESA-N 0 0 382.460 3.778 10 0 GHAERN C[C@@H]1CCCC[C@H]1c1noc(CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000329372378 834930157 /nfs/dbraw/zinc/93/01/57/834930157.db2.gz BBYAKKXFHIFFFM-HLFMIMNKSA-N 0 0 394.475 3.862 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)n1 ZINC000111833295 834999020 /nfs/dbraw/zinc/99/90/20/834999020.db2.gz MFAIGBPWFIWVPN-JXFKEZNVSA-N 0 0 397.523 3.698 10 0 GHAERN Cc1coc(-c2cccc(NC(=O)NCCC(=O)Nc3ccc(C)cn3)c2)n1 ZINC000157782426 835089485 /nfs/dbraw/zinc/08/94/85/835089485.db2.gz XOISSCBHVTUBCM-UHFFFAOYSA-N 0 0 379.420 3.504 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccccc2)CC1 ZINC000157855185 835122020 /nfs/dbraw/zinc/12/20/20/835122020.db2.gz MXBZKPOKIDFPTR-HNNXBMFYSA-N 0 0 375.394 3.849 10 0 GHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408452260 844039508 /nfs/dbraw/zinc/03/95/08/844039508.db2.gz MFSDDZLHWKQZBH-BFUOFWGJSA-N 0 0 383.879 3.504 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)[nH]c2c1C(=O)CCC2 ZINC000329613101 835381075 /nfs/dbraw/zinc/38/10/75/835381075.db2.gz DUBAMAJCHCJLNO-LLVKDONJSA-N 0 0 394.397 3.604 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3)C2)c1 ZINC000158564709 835437641 /nfs/dbraw/zinc/43/76/41/835437641.db2.gz UVJZABNBRWJZIA-SFHVURJKSA-N 0 0 398.898 3.959 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@]34CCOc3ccccc34)C2)no1 ZINC000329705330 835739106 /nfs/dbraw/zinc/73/91/06/835739106.db2.gz JHFUNBZVUSMKLX-JLDZCNIISA-N 0 0 381.476 3.639 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H](C)S(=O)(=O)CC1 ZINC000588592051 835848427 /nfs/dbraw/zinc/84/84/27/835848427.db2.gz WDCMBZPRZZBTDF-SNGWPZLWSA-N 0 0 389.517 3.824 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnc1N1CCCC[C@H]1C ZINC000296842249 835942891 /nfs/dbraw/zinc/94/28/91/835942891.db2.gz NYFYANMFPOCDBG-NVXWUHKLSA-N 0 0 383.500 3.646 10 0 GHAERN Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328648992 836544025 /nfs/dbraw/zinc/54/40/25/836544025.db2.gz AMWHXYCDYVXBHQ-SGTLLEGYSA-N 0 0 381.307 3.920 10 0 GHAERN O=C(N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CC[C@H](CCO)C1 ZINC000332914749 836990123 /nfs/dbraw/zinc/99/01/23/836990123.db2.gz RIRBKTROFWQGSS-CJNGLKHVSA-N 0 0 389.496 3.741 10 0 GHAERN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)c1Cl ZINC000407952757 838237957 /nfs/dbraw/zinc/23/79/57/838237957.db2.gz AAWAMUQZPMNYFR-INIZCTEOSA-N 0 0 393.940 3.787 10 0 GHAERN Cn1c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@H]3O)cc2nc1C(F)F ZINC000407965526 838270860 /nfs/dbraw/zinc/27/08/60/838270860.db2.gz VXZNMTIIEUAKEP-LXZKKBNFSA-N 0 0 377.435 3.667 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000179186632 838529408 /nfs/dbraw/zinc/52/94/08/838529408.db2.gz JUEAPOKGRIATLV-FQEVSTJZSA-N 0 0 383.536 3.744 10 0 GHAERN O=C(c1cc(Br)sc1Br)N1CCCC[C@H](CO)C1 ZINC000378206180 838615827 /nfs/dbraw/zinc/61/58/27/838615827.db2.gz OOXAPQRNLRRYAZ-QMMMGPOBSA-N 0 0 397.132 3.508 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(F)cc1F ZINC000181981286 838680653 /nfs/dbraw/zinc/68/06/53/838680653.db2.gz OOHFAPFNXWUGHR-SFHVURJKSA-N 0 0 382.451 3.501 10 0 GHAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116499363 839216137 /nfs/dbraw/zinc/21/61/37/839216137.db2.gz NETQSLGESDQABT-OAHLLOKOSA-N 0 0 381.542 3.617 10 0 GHAERN O=S(=O)(/C=C\c1cccc(Br)c1)NCc1ccc(Cl)cn1 ZINC000588384794 839956971 /nfs/dbraw/zinc/95/69/71/839956971.db2.gz YMSYUDMBPSIBOQ-SREVYHEPSA-N 0 0 387.686 3.588 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000588393776 840436297 /nfs/dbraw/zinc/43/62/97/840436297.db2.gz DLHZTABBNZOOOR-ZDQMOETHSA-N 0 0 377.469 3.577 10 0 GHAERN Cc1nc(S(=O)(=O)N2CCCC[C@@H]2c2ccco2)sc1Br ZINC000408087636 840562786 /nfs/dbraw/zinc/56/27/86/840562786.db2.gz FHTSUGBVUWSMBQ-SNVBAGLBSA-N 0 0 391.312 3.723 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110622470 840601783 /nfs/dbraw/zinc/60/17/83/840601783.db2.gz CJZNOCLAUMCROC-CABCVRRESA-N 0 0 387.270 3.994 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000332821943 844582368 /nfs/dbraw/zinc/58/23/68/844582368.db2.gz CHOOZBMCVDZKPM-JJMVLAAESA-N 0 0 392.297 3.784 10 0 GHAERN CC1(C)CN(S(=O)(=O)c2cnc3ccc(F)cc3c2)CC[C@H]1C(F)(F)F ZINC000408114722 840963231 /nfs/dbraw/zinc/96/32/31/840963231.db2.gz IFHGRTGVZRYKJY-OAHLLOKOSA-N 0 0 390.402 3.973 10 0 GHAERN O=C(NCc1ccc(Br)s1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408128986 841072451 /nfs/dbraw/zinc/07/24/51/841072451.db2.gz MRIFKPYYPFLEAM-MJBXVCDLSA-N 0 0 387.343 3.736 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)o1 ZINC000188961389 841102218 /nfs/dbraw/zinc/10/22/18/841102218.db2.gz PTGFKYQKLOFZHI-ZDUSSCGKSA-N 0 0 385.645 3.613 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000329271036 861229479 /nfs/dbraw/zinc/22/94/79/861229479.db2.gz HICMYFPFLCVCSZ-SFHVURJKSA-N 0 0 375.494 3.952 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1OC1CCCCC1 ZINC000121292969 842083679 /nfs/dbraw/zinc/08/36/79/842083679.db2.gz YGXNYOMCTMTEPR-QGZVFWFLSA-N 0 0 380.492 3.587 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)/C=C\c2ccnc(Cl)c2)CC1 ZINC000588427349 842096896 /nfs/dbraw/zinc/09/68/96/842096896.db2.gz NGZFMBAVQAQBIM-WAYWQWQTSA-N 0 0 393.915 3.902 10 0 GHAERN Cc1ccc(-c2cnc(CCC(=O)NC/C=C\CNC(=O)OC(C)(C)C)o2)cc1 ZINC000588434429 842489032 /nfs/dbraw/zinc/48/90/32/842489032.db2.gz JQPPKENZHVXDEP-WAYWQWQTSA-N 0 0 399.491 3.780 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000588434553 842502109 /nfs/dbraw/zinc/50/21/09/842502109.db2.gz NRIDKGYMKFEUQW-SREVYHEPSA-N 0 0 381.476 3.923 10 0 GHAERN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328851245 842627622 /nfs/dbraw/zinc/62/76/22/842627622.db2.gz WQPYAKJUQQYJMK-HZPDHXFCSA-N 0 0 380.496 3.523 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)C12CCCCC2 ZINC000329370485 861338292 /nfs/dbraw/zinc/33/82/92/861338292.db2.gz ATGAGWOKBAAYDR-FCGDIQPGSA-N 0 0 389.540 3.567 10 0 GHAERN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)/C=C\c3ccncn3)s2)cc1 ZINC000588439116 842735744 /nfs/dbraw/zinc/73/57/44/842735744.db2.gz DBPCRHJBTHAJQA-XURPKSDJSA-N 0 0 380.473 3.808 10 0 GHAERN Cc1nc([C@@H]2CCCCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)no1 ZINC000329373904 861343112 /nfs/dbraw/zinc/34/31/12/861343112.db2.gz KBYPWAXDIUDUEO-HOCLYGCPSA-N 0 0 386.477 3.974 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1F ZINC000588445005 842807649 /nfs/dbraw/zinc/80/76/49/842807649.db2.gz DVQOBFOXOIQMFK-RTYFKUQISA-N 0 0 390.499 3.637 10 0 GHAERN C[C@H]1N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCC12CCOCC2 ZINC000408209059 842841323 /nfs/dbraw/zinc/84/13/23/842841323.db2.gz BHLZKGTVNDANFF-LLVKDONJSA-N 0 0 395.855 3.521 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 ZINC000162354976 843235389 /nfs/dbraw/zinc/23/53/89/843235389.db2.gz UEBXJGJFEPKQCI-UHFFFAOYSA-N 0 0 398.507 3.701 10 0 GHAERN Cc1csc(-c2cccc(C(=O)N3CCC(Cc4nccn4C)CC3)c2)n1 ZINC000162501919 843266133 /nfs/dbraw/zinc/26/61/33/843266133.db2.gz ZLHMZNXDJBSHED-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN Cc1ccc(-c2cnc(CCC(=O)N3CCC(Cc4nccn4C)CC3)o2)cc1 ZINC000162626545 843288201 /nfs/dbraw/zinc/28/82/01/843288201.db2.gz LIDSKMNTXFKAAI-UHFFFAOYSA-N 0 0 392.503 3.797 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1 ZINC000588454650 843344996 /nfs/dbraw/zinc/34/49/96/843344996.db2.gz LTADWLVJLDTPDQ-SSCKCOOKSA-N 0 0 375.428 3.633 10 0 GHAERN CSc1ccccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112414408 843349596 /nfs/dbraw/zinc/34/95/96/843349596.db2.gz NDLVXPZTMOONLX-UHFFFAOYSA-N 0 0 375.519 3.850 10 0 GHAERN CCc1cccc2c(CC(=O)N3CCCN(C(=O)c4cccs4)CC3)c[nH]c21 ZINC000112306522 843351591 /nfs/dbraw/zinc/35/15/91/843351591.db2.gz BSMQHGJPNBWYAI-UHFFFAOYSA-N 0 0 395.528 3.709 10 0 GHAERN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307598 843351947 /nfs/dbraw/zinc/35/19/47/843351947.db2.gz ZWTHTBHACABASQ-CQSZACIVSA-N 0 0 392.908 3.544 10 0 GHAERN Cc1nc2cc(F)ccc2cc1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307319 843352036 /nfs/dbraw/zinc/35/20/36/843352036.db2.gz VCHRXQITKFUECH-UHFFFAOYSA-N 0 0 397.475 3.732 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000112307378 843352424 /nfs/dbraw/zinc/35/24/24/843352424.db2.gz SMPIFGOXEINIEJ-CABCVRRESA-N 0 0 390.455 3.505 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1nc(C)cs1 ZINC000112453550 843355678 /nfs/dbraw/zinc/35/56/78/843355678.db2.gz RXTLXTVROPKJMJ-AWEZNQCLSA-N 0 0 392.550 3.522 10 0 GHAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121558404 843453837 /nfs/dbraw/zinc/45/38/37/843453837.db2.gz KNGDKWIEMWSALQ-SCLBCKFNSA-N 0 0 377.282 3.698 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)Nc3nccc4sccc43)c(=O)[nH]c21 ZINC000588466528 843734364 /nfs/dbraw/zinc/73/43/64/843734364.db2.gz IGSIGOSNLMRWBO-ARJAWSKDSA-N 0 0 379.445 3.567 10 0 GHAERN O=C(Nc1ccccc1Oc1ccccc1Cl)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000333032385 843837304 /nfs/dbraw/zinc/83/73/04/843837304.db2.gz CLJDMBRBJKDMEK-CZUORRHYSA-N 0 0 385.851 3.875 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCC2(C1)Oc1ccccc1O2 ZINC000333050897 843918795 /nfs/dbraw/zinc/91/87/95/843918795.db2.gz BNHCRRKEULUDRS-PBHICJAKSA-N 0 0 386.473 3.551 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000246787173 844907763 /nfs/dbraw/zinc/90/77/63/844907763.db2.gz MJBMCMYPAGQRGB-ZRCAFCQKSA-N 0 0 396.535 3.505 10 0 GHAERN Cc1nc(CC(C)C)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000151604968 845307733 /nfs/dbraw/zinc/30/77/33/845307733.db2.gz HFVFLVPEMDTEHR-UHFFFAOYSA-N 0 0 391.581 3.905 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000248958995 845481195 /nfs/dbraw/zinc/48/11/95/845481195.db2.gz MADLSJDKTGFECX-LYRGGWFBSA-N 0 0 397.397 3.564 10 0 GHAERN C[C@@H](NC(=O)N[C@@H]1CCOC2(CCOCC2)C1)c1ccccc1Br ZINC000333006438 845489025 /nfs/dbraw/zinc/48/90/25/845489025.db2.gz ZSYKCVDCPOUYSY-ZIAGYGMSSA-N 0 0 397.313 3.538 10 0 GHAERN COc1ccc(NC(=O)Cc2ccccc2Br)c(OC)c1OC ZINC000103790310 845775163 /nfs/dbraw/zinc/77/51/63/845775163.db2.gz MCWRGVDITCUUGU-UHFFFAOYSA-N 0 0 380.238 3.656 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000104993001 845922273 /nfs/dbraw/zinc/92/22/73/845922273.db2.gz IVVKUASEIUNTNM-HXUWFJFHSA-N 0 0 396.491 3.686 10 0 GHAERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000105912200 846071297 /nfs/dbraw/zinc/07/12/97/846071297.db2.gz SJONXVOVNVFQQD-TZIYXEQSSA-N 0 0 392.908 3.944 10 0 GHAERN O=C(Oc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152007706 846114006 /nfs/dbraw/zinc/11/40/06/846114006.db2.gz OPUUWQHPNZHGIC-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccccc1OC(F)F ZINC000152032610 846162651 /nfs/dbraw/zinc/16/26/51/846162651.db2.gz YNGUHYDOJQZULI-ATWMFIQVSA-N 0 0 376.407 3.667 10 0 GHAERN O=C(c1cnc2sccn2c1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000052987494 846249740 /nfs/dbraw/zinc/24/97/40/846249740.db2.gz QCXINLOYNJPCHA-CQSZACIVSA-N 0 0 396.497 3.733 10 0 GHAERN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000152172030 846327686 /nfs/dbraw/zinc/32/76/86/846327686.db2.gz SYWPQMISZFXSNR-IERDGZPVSA-N 0 0 396.462 3.550 10 0 GHAERN CC(C)Cc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000152212933 846413389 /nfs/dbraw/zinc/41/33/89/846413389.db2.gz KKOBZUORYIFREM-HYGBKTPJSA-N 0 0 381.520 3.604 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000152465519 847134028 /nfs/dbraw/zinc/13/40/28/847134028.db2.gz GZKIGTNYCJCLDZ-KRWDZBQOSA-N 0 0 387.483 3.964 10 0 GHAERN O=C(CN1CCC[C@H](C(F)(F)F)C1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000045606117 847143407 /nfs/dbraw/zinc/14/34/07/847143407.db2.gz PQKQMVJBXLOSSM-AWEZNQCLSA-N 0 0 395.425 3.559 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000588530794 847723148 /nfs/dbraw/zinc/72/31/48/847723148.db2.gz YODAOKWDFCAYAZ-LZVBJTEYSA-N 0 0 381.382 3.521 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CC2)n1 ZINC000246712906 848493901 /nfs/dbraw/zinc/49/39/01/848493901.db2.gz YBWJNDBXQCSIFR-GJYPPUQNSA-N 0 0 397.523 3.659 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CCO2)o1 ZINC000153529456 848609075 /nfs/dbraw/zinc/60/90/75/848609075.db2.gz FDJOZOLRBJCLRV-UYAOXDASSA-N 0 0 386.448 3.751 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153546020 848627477 /nfs/dbraw/zinc/62/74/77/848627477.db2.gz UQZPMLMTNXHYGA-HXUWFJFHSA-N 0 0 388.464 3.747 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1 ZINC000154502505 849304843 /nfs/dbraw/zinc/30/48/43/849304843.db2.gz YCIRDQNLSXFMCB-UHFFFAOYSA-N 0 0 398.406 3.635 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc2ccccc21 ZINC000155352593 849509724 /nfs/dbraw/zinc/50/97/24/849509724.db2.gz UWAZKFRPAIHHRI-QGZVFWFLSA-N 0 0 392.503 3.679 10 0 GHAERN CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155718264 849613707 /nfs/dbraw/zinc/61/37/07/849613707.db2.gz XVPOVFSJMAAFIT-UHFFFAOYSA-N 0 0 387.505 3.677 10 0 GHAERN Cc1cc(C(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C1CC1 ZINC000156060415 849748592 /nfs/dbraw/zinc/74/85/92/849748592.db2.gz YROKRCALLNBQAF-UHFFFAOYSA-N 0 0 385.552 3.737 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3cnc4c(cnn4CC(C)C)c3)C2)n1 ZINC000329686442 862057031 /nfs/dbraw/zinc/05/70/31/862057031.db2.gz BLWWVQCWNYAQNU-HNNXBMFYSA-N 0 0 383.521 3.872 10 0 GHAERN CC(C)[C@@H]1OCCC[C@H]1Nc1nccc(N2CCC(c3nccs3)CC2)n1 ZINC000329692202 862093888 /nfs/dbraw/zinc/09/38/88/862093888.db2.gz GUIMHDXGDBSKLX-AEFFLSMTSA-N 0 0 387.553 3.933 10 0 GHAERN Cc1ccc(F)c(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c1 ZINC000333786935 851119702 /nfs/dbraw/zinc/11/97/02/851119702.db2.gz VMXGRAZMEXPJBB-WAIKUNEKSA-N 0 0 397.494 3.576 10 0 GHAERN Cc1cc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2C)c(C)s1 ZINC000101577084 851683972 /nfs/dbraw/zinc/68/39/72/851683972.db2.gz BSIXKWZRSHVNHB-UHFFFAOYSA-N 0 0 386.926 3.634 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)cc1Cl ZINC000101582073 851691663 /nfs/dbraw/zinc/69/16/63/851691663.db2.gz SULXDUFOTNPDET-UHFFFAOYSA-N 0 0 398.818 3.794 10 0 GHAERN C[C@@H](NC(=O)NCC(=O)Nc1cccc2cccnc21)c1cccc(Cl)c1 ZINC000101605166 851724938 /nfs/dbraw/zinc/72/49/38/851724938.db2.gz OKWYIQILCDPZDP-CYBMUJFWSA-N 0 0 382.851 3.887 10 0 GHAERN CCOc1cc(C)ccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101747258 851865842 /nfs/dbraw/zinc/86/58/42/851865842.db2.gz REMDJMYXGZSMBN-MRXNPFEDSA-N 0 0 375.513 3.798 10 0 GHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnc(-c2ncccn2)s1 ZINC000101842839 851951434 /nfs/dbraw/zinc/95/14/34/851951434.db2.gz CAIQBZZUSUWYRC-UHFFFAOYSA-N 0 0 389.444 3.515 10 0 GHAERN O=C(Cn1cnc2ccccc2c1=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101882614 851975130 /nfs/dbraw/zinc/97/51/30/851975130.db2.gz CHVQEUHEKBUJJN-UHFFFAOYSA-N 0 0 381.435 3.606 10 0 GHAERN CCc1nc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)nn1-c1ccccc1 ZINC000329781688 862318468 /nfs/dbraw/zinc/31/84/68/862318468.db2.gz SYLFTKSHPMPEQP-OAHLLOKOSA-N 0 0 381.505 3.614 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000102017856 852117448 /nfs/dbraw/zinc/11/74/48/852117448.db2.gz FOKHIRYVVCVRJE-MRXNPFEDSA-N 0 0 393.959 3.855 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2C)no1 ZINC000329862953 862381713 /nfs/dbraw/zinc/38/17/13/862381713.db2.gz YUVOVEYXNVXQJZ-BXUZGUMPSA-N 0 0 384.509 3.701 10 0 GHAERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333944388 853250599 /nfs/dbraw/zinc/25/05/99/853250599.db2.gz RXFDMOGMDNNAPL-JLDZCNIISA-N 0 0 387.499 3.585 10 0 GHAERN O=C(CC[C@H]1CCCCO1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330092217 862569185 /nfs/dbraw/zinc/56/91/85/862569185.db2.gz YMCJUCOOQXXBRT-DNVFCKCGSA-N 0 0 395.503 3.966 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCN[C@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651840 854489635 /nfs/dbraw/zinc/48/96/35/854489635.db2.gz KARDXZXTPIAUTL-SJCJKPOMSA-N 0 0 385.464 3.695 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N[C@@H]3CCC(=O)NC34CCC4)c3c2CCC3)c(C)c1 ZINC000328711991 854518629 /nfs/dbraw/zinc/51/86/29/854518629.db2.gz BJZDDHSUFUOAQG-LJQANCHMSA-N 0 0 392.503 3.749 10 0 GHAERN CCOc1ccc(S(=O)(=O)N[C@H]2CCC(=O)NC23CCC3)c2ccccc12 ZINC000328759773 854530955 /nfs/dbraw/zinc/53/09/55/854530955.db2.gz WZCSXVBUAZEYNT-SFHVURJKSA-N 0 0 388.489 3.558 10 0 GHAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328850570 854576243 /nfs/dbraw/zinc/57/62/43/854576243.db2.gz WKVKUCRBKUKUTP-SGIREYDYSA-N 0 0 389.908 3.946 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000328948396 854613505 /nfs/dbraw/zinc/61/35/05/854613505.db2.gz HBACPWXFKYURBF-IKGGRYGDSA-N 0 0 393.409 3.749 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Br)cc1C ZINC000328951520 854614270 /nfs/dbraw/zinc/61/42/70/854614270.db2.gz HTMZPGBHFPOSBA-UKRRQHHQSA-N 0 0 378.270 3.690 10 0 GHAERN C[C@@H]1CCC[C@@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000330121321 862592620 /nfs/dbraw/zinc/59/26/20/862592620.db2.gz GVNWRLUBZVRDCN-PEOGOYOCSA-N 0 0 395.507 3.623 10 0 GHAERN CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1cccs1 ZINC000057234610 855431112 /nfs/dbraw/zinc/43/11/12/855431112.db2.gz UOZIEGJEESPDKZ-QGZVFWFLSA-N 0 0 389.496 3.814 10 0 GHAERN CC[C@@H](NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1cccs1 ZINC000057243966 855431248 /nfs/dbraw/zinc/43/12/48/855431248.db2.gz XZJQWGZBTFZNBT-MRXNPFEDSA-N 0 0 387.553 3.953 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(OC3CCCCC3)cc2)C[C@@H]1C ZINC000190456828 855465981 /nfs/dbraw/zinc/46/59/81/855465981.db2.gz AMYRAORZFSVKIU-JXFKEZNVSA-N 0 0 388.508 3.739 10 0 GHAERN CC(C)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000180997985 855516263 /nfs/dbraw/zinc/51/62/63/855516263.db2.gz SHKQYSPYBJJPHU-ATZDWAIDSA-N 0 0 382.451 3.641 10 0 GHAERN CC(C)c1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000190817254 856233414 /nfs/dbraw/zinc/23/34/14/856233414.db2.gz TYXCOUBPUTWBLK-KRWDZBQOSA-N 0 0 388.537 3.654 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)NCc3ccc(Cl)s3)CC2)n1 ZINC000185495934 856364396 /nfs/dbraw/zinc/36/43/96/856364396.db2.gz TXKUPSQTHVRHCC-UHFFFAOYSA-N 0 0 393.944 3.655 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000252733656 856403129 /nfs/dbraw/zinc/40/31/29/856403129.db2.gz BAZGBINXMNJJRF-OGWOLHLISA-N 0 0 396.940 3.908 10 0 GHAERN Cc1c(NC(=O)NC[C@@H](O)Cc2ccccc2)cccc1OCC(F)(F)F ZINC000105034848 856463184 /nfs/dbraw/zinc/46/31/84/856463184.db2.gz JWBPPZREBZESKB-HNNXBMFYSA-N 0 0 382.382 3.661 10 0 GHAERN CN[C@@]12C(=O)N(C3CCCCC3)C[C@@]1(Cc1ccccc1)c1ccccc1N2C ZINC000048520848 856467132 /nfs/dbraw/zinc/46/71/32/856467132.db2.gz JLKYNRTWWRVALD-LOSJGSFVSA-N 0 0 389.543 3.708 10 0 GHAERN O=C([C@@H]1CCCN(c2ncccn2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000045188777 856699988 /nfs/dbraw/zinc/69/99/88/856699988.db2.gz LDRVYGDNRCLQDL-MRXNPFEDSA-N 0 0 382.489 3.577 10 0 GHAERN COc1cccc([C@H](NC(=O)N[C@H](C)c2ccccc2C)c2nccn2C)c1 ZINC000045595610 856741242 /nfs/dbraw/zinc/74/12/42/856741242.db2.gz DSQRJDCETCUSQK-UZLBHIALSA-N 0 0 378.476 3.887 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2C[C@H](c3cccs3)C[C@@H]2C)c(=O)[nH]1 ZINC000371007512 857052674 /nfs/dbraw/zinc/05/26/74/857052674.db2.gz KVEXDVCOOGALRW-WCQYABFASA-N 0 0 377.535 3.611 10 0 GHAERN Cc1nn(C)c2ncc(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)cc12 ZINC000129823208 857916498 /nfs/dbraw/zinc/91/64/98/857916498.db2.gz MZONEPYDLQOQMQ-GOSISDBHSA-N 0 0 376.460 3.843 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000172607949 858391094 /nfs/dbraw/zinc/39/10/94/858391094.db2.gz PWPVABMXHMGNFC-OAQYLSRUSA-N 0 0 379.508 3.994 10 0 GHAERN CC(C)n1cnnc1SCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130142963 859444555 /nfs/dbraw/zinc/44/45/55/859444555.db2.gz URYHOOKOURRYCA-INIZCTEOSA-N 0 0 386.521 3.904 10 0 GHAERN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCOC2(CCCC2)C1 ZINC000128825016 859709281 /nfs/dbraw/zinc/70/92/81/859709281.db2.gz OVRBLJCOGQJDST-UHFFFAOYSA-N 0 0 396.278 3.751 10 0 GHAERN O=C(C[C@@H]1CCc2ccccc2C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000267773113 860421546 /nfs/dbraw/zinc/42/15/46/860421546.db2.gz ZNAOJXTZDYLSAM-YLJYHZDGSA-N 0 0 378.520 3.863 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC3(c4ccc(Cl)cc4)CC3)C2)no1 ZINC000171369892 860424755 /nfs/dbraw/zinc/42/47/55/860424755.db2.gz MXTGOQMALBQJGV-HNNXBMFYSA-N 0 0 388.899 3.727 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(C)cc3)C2)n1 ZINC000173064318 860629634 /nfs/dbraw/zinc/62/96/34/860629634.db2.gz FECCQGYIOAICIQ-OALUTQOASA-N 0 0 397.544 3.657 10 0 GHAERN Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 ZINC000102578677 860765415 /nfs/dbraw/zinc/76/54/15/860765415.db2.gz MBZGWMRABSSYSH-GOSISDBHSA-N 0 0 385.552 3.609 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000102718642 860830588 /nfs/dbraw/zinc/83/05/88/860830588.db2.gz BJEVOILKQJKCDE-IBGZPJMESA-N 0 0 384.501 3.540 10 0 GHAERN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)C[C@@H]1CCCO1 ZINC000102770751 860852996 /nfs/dbraw/zinc/85/29/96/860852996.db2.gz AOVGMONBEHBOQF-YPMHNXCESA-N 0 0 381.448 3.526 10 0 GHAERN CC(C)Cn1ccnc1NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 ZINC000102914867 860900864 /nfs/dbraw/zinc/90/08/64/860900864.db2.gz YJOANAUJFNYPBB-UHFFFAOYSA-N 0 0 394.397 3.937 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3nc(CCC(C)C)no3)o2)cc1 ZINC000102947101 860913627 /nfs/dbraw/zinc/91/36/27/860913627.db2.gz DYKXMEKHZSPDMX-HHHXNRCGSA-N 0 0 389.477 3.771 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000155494388 861016500 /nfs/dbraw/zinc/01/65/00/861016500.db2.gz QUGVNTYFRZCNES-BEFAXECRSA-N 0 0 381.524 3.656 10 0 GHAERN CC(C)COC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000103156370 863896561 /nfs/dbraw/zinc/89/65/61/863896561.db2.gz FDMVPQYVNUDKBC-UHFFFAOYSA-N 0 0 383.407 3.670 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCCNC(=O)c3ccc(F)cc3F)c21 ZINC000103129533 863927259 /nfs/dbraw/zinc/92/72/59/863927259.db2.gz JWYCJKIQQGZXJS-UHFFFAOYSA-N 0 0 399.441 3.623 10 0 GHAERN CCc1cccc(NC(=O)CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000103312271 863953737 /nfs/dbraw/zinc/95/37/37/863953737.db2.gz JIXXYAQJEOUOMJ-QFIPXVFZSA-N 0 0 388.471 3.671 10 0 GHAERN COc1ccccc1SC[C@@H](C)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000103421449 863977310 /nfs/dbraw/zinc/97/73/10/863977310.db2.gz JRQABFAIDLYNHU-INIZCTEOSA-N 0 0 396.512 3.555 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1OCC(F)F ZINC000103787686 864054742 /nfs/dbraw/zinc/05/47/42/864054742.db2.gz NQWMTSHBLPBGIK-UHFFFAOYSA-N 0 0 393.781 3.520 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000245927586 864573880 /nfs/dbraw/zinc/57/38/80/864573880.db2.gz RRVPGBNCSBTOMQ-KBRIMQKVSA-N 0 0 393.459 3.841 10 0 GHAERN CC(=O)N1CC[C@H](Nc2cnc3cc(F)c(F)cc3n2)c2ccc(F)cc2C1 ZINC000302181979 865753221 /nfs/dbraw/zinc/75/32/21/865753221.db2.gz FGCCFDITHQJZOL-KRWDZBQOSA-N 0 0 386.377 3.953 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2cncc(Br)c2)c2ccc(F)cc2C1 ZINC000302203882 865765305 /nfs/dbraw/zinc/76/53/05/865765305.db2.gz URXJXBLKBIBMAP-QGZVFWFLSA-N 0 0 378.245 3.889 10 0 GHAERN COc1cccc(CNC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)n1 ZINC000102002693 866575117 /nfs/dbraw/zinc/57/51/17/866575117.db2.gz NHFPSTAYGZMEHT-UHFFFAOYSA-N 0 0 396.491 3.608 10 0 GHAERN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)NCc1cccc(OC)n1 ZINC000102013724 866598091 /nfs/dbraw/zinc/59/80/91/866598091.db2.gz PBFGAFIWPNOYSX-GOSISDBHSA-N 0 0 379.464 3.507 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000111832727 866707886 /nfs/dbraw/zinc/70/78/86/866707886.db2.gz MATKQGTWFDUFSZ-CVEARBPZSA-N 0 0 399.539 3.825 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151243093 867088876 /nfs/dbraw/zinc/08/88/76/867088876.db2.gz PJXXSRXMGVUGNS-IFXJQAMLSA-N 0 0 394.302 3.946 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H](c1ccccc1)c1cccnc1 ZINC000170884374 882063786 /nfs/dbraw/zinc/06/37/86/882063786.db2.gz AUJXEOYRRMMHRN-FPOVZHCZSA-N 0 0 386.455 3.596 10 0 GHAERN CN1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643043 867744913 /nfs/dbraw/zinc/74/49/13/867744913.db2.gz BNJBVAWSMZRBBJ-ZYSHUDEJSA-N 0 0 393.478 3.501 10 0 GHAERN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171610988 882145905 /nfs/dbraw/zinc/14/59/05/882145905.db2.gz GNYAUSVMUWWPAU-QFIPXVFZSA-N 0 0 380.488 3.734 10 0 GHAERN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCOC2(CCCCC2)C1 ZINC000180980686 868223213 /nfs/dbraw/zinc/22/32/13/868223213.db2.gz ISYKRNCATDYSLM-ZWKOTPCHSA-N 0 0 380.435 3.540 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCSc4ccccc43)CC2)n1 ZINC000172060890 882165993 /nfs/dbraw/zinc/16/59/93/882165993.db2.gz LTHNGSRDPRMSCN-GOSISDBHSA-N 0 0 382.533 3.895 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)NC1(c2ccccc2)CCCC1 ZINC000172221080 882188786 /nfs/dbraw/zinc/18/87/86/882188786.db2.gz GRUYULIIWAIORZ-SFHVURJKSA-N 0 0 384.501 3.674 10 0 GHAERN COc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000172230003 882189892 /nfs/dbraw/zinc/18/98/92/882189892.db2.gz BUYDZGDNHFHXJU-GDBMZVCRSA-N 0 0 389.521 3.681 10 0 GHAERN CCc1nc2cc(NC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)ccc2o1 ZINC000172252597 882191356 /nfs/dbraw/zinc/19/13/56/882191356.db2.gz KJPOAEKMXAAPEN-CQSZACIVSA-N 0 0 390.447 3.844 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC(OCc3ccc(F)cc3)CC2)cc1OC ZINC000092075456 882259565 /nfs/dbraw/zinc/25/95/65/882259565.db2.gz XWCYHKDPRSFLBF-UHFFFAOYSA-N 0 0 391.414 3.803 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)cc1C ZINC000248453593 869226099 /nfs/dbraw/zinc/22/60/99/869226099.db2.gz ZCDNNGUREBEOOM-YXJHDRRASA-N 0 0 379.526 3.799 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000172638322 882281521 /nfs/dbraw/zinc/28/15/21/882281521.db2.gz KWLBZVBVBWPHEW-NHCUHLMSSA-N 0 0 382.504 3.578 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000172638325 882281551 /nfs/dbraw/zinc/28/15/51/882281551.db2.gz KWLBZVBVBWPHEW-SFTDATJTSA-N 0 0 382.504 3.578 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172523258 882292395 /nfs/dbraw/zinc/29/23/95/882292395.db2.gz VPOZBAKKRYOVHY-QGZVFWFLSA-N 0 0 378.432 3.579 10 0 GHAERN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172564572 882295347 /nfs/dbraw/zinc/29/53/47/882295347.db2.gz QXPYCEBUROFQKD-SFHVURJKSA-N 0 0 378.432 3.531 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000172595511 882297342 /nfs/dbraw/zinc/29/73/42/882297342.db2.gz JVGUPYOHAZKHMJ-RTWAWAEBSA-N 0 0 377.488 3.911 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172597156 882298322 /nfs/dbraw/zinc/29/83/22/882298322.db2.gz CNQWHZHDOPLESU-WOJBJXKFSA-N 0 0 380.463 3.612 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000172621277 882299646 /nfs/dbraw/zinc/29/96/46/882299646.db2.gz VHKHRHJVXIDSBY-RBBKRZOGSA-N 0 0 375.472 3.636 10 0 GHAERN O=C(NCC1(c2ccccc2)CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172713561 882301306 /nfs/dbraw/zinc/30/13/06/882301306.db2.gz GHLARKJOVLJVFY-UHFFFAOYSA-N 0 0 391.515 3.562 10 0 GHAERN CCCOc1cc(C)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172840274 882312827 /nfs/dbraw/zinc/31/28/27/882312827.db2.gz NLCOCIKZYOLOHR-UHFFFAOYSA-N 0 0 381.476 3.670 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2cc(NC(C)=O)ccc2C)cc1 ZINC000172874941 882316130 /nfs/dbraw/zinc/31/61/30/882316130.db2.gz XYYMMASUHDSRDT-OAQYLSRUSA-N 0 0 381.476 3.738 10 0 GHAERN COc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc(OC)c1OC(F)F ZINC000173042959 882333205 /nfs/dbraw/zinc/33/32/05/882333205.db2.gz IFXGLHJHZDJSEZ-LLVKDONJSA-N 0 0 398.431 3.782 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CNC(=O)NC3CCCCC3)C2)n1 ZINC000173967675 869983585 /nfs/dbraw/zinc/98/35/85/869983585.db2.gz JUGAILAMRLRSQD-OAHLLOKOSA-N 0 0 392.569 3.604 10 0 GHAERN O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@H](c2nccs2)C1 ZINC000173554337 882379832 /nfs/dbraw/zinc/37/98/32/882379832.db2.gz DDUMADSQRMXHNV-JTQLQIEISA-N 0 0 390.456 3.750 10 0 GHAERN CC[C@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2O1 ZINC000188648017 870278318 /nfs/dbraw/zinc/27/83/18/870278318.db2.gz IDZUJSIDUMDFAH-VBKZILBWSA-N 0 0 386.473 3.889 10 0 GHAERN Cn1c(C(=O)N2CCCN(C(=O)c3cccs3)CC2)ccc1-c1ccccc1 ZINC000173690506 882391622 /nfs/dbraw/zinc/39/16/22/882391622.db2.gz UWYWEVNIEPANBS-UHFFFAOYSA-N 0 0 393.512 3.742 10 0 GHAERN CC(C)c1noc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000173915086 882396630 /nfs/dbraw/zinc/39/66/30/882396630.db2.gz LOAIBWBKSDMSLE-UHFFFAOYSA-N 0 0 381.841 3.616 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)c3cccc(N4CCNC4=O)c3C)CC2)c1 ZINC000173897597 882413707 /nfs/dbraw/zinc/41/37/07/882413707.db2.gz CDBPEIHGINJIFN-UHFFFAOYSA-N 0 0 392.503 3.550 10 0 GHAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114809088 870628854 /nfs/dbraw/zinc/62/88/54/870628854.db2.gz AAIGVOVEBHUWEK-OAHLLOKOSA-N 0 0 384.505 3.755 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000102968152 870867457 /nfs/dbraw/zinc/86/74/57/870867457.db2.gz PQXAFBFGPUBHJP-GHTZIAJQSA-N 0 0 384.451 3.892 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000102968150 870867888 /nfs/dbraw/zinc/86/78/88/870867888.db2.gz PQXAFBFGPUBHJP-RXVVDRJESA-N 0 0 384.451 3.892 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000175056517 882520543 /nfs/dbraw/zinc/52/05/43/882520543.db2.gz BRBBHFVWDGKFRK-YJBOKZPZSA-N 0 0 388.508 3.657 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cnc(-c4ccncc4)s3)C2)c1 ZINC000175402444 882552016 /nfs/dbraw/zinc/55/20/16/882552016.db2.gz MQFQNPLLICKILN-HNNXBMFYSA-N 0 0 395.484 3.852 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(-n4ccnc4)c3)C2)c1 ZINC000175402194 882552140 /nfs/dbraw/zinc/55/21/40/882552140.db2.gz ISYVGBFCNHMDRI-QGZVFWFLSA-N 0 0 377.444 3.519 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000175683118 882573112 /nfs/dbraw/zinc/57/31/12/882573112.db2.gz CKTPRDXCFRCMFG-OEXZBZRSSA-N 0 0 385.467 3.999 10 0 GHAERN C[C@]1(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)CC1(Cl)Cl ZINC000175429228 882578730 /nfs/dbraw/zinc/57/87/30/882578730.db2.gz SANUBPCQKXQTEZ-FZKQIMNGSA-N 0 0 381.303 3.713 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CC2(CC2)c2ccccc21 ZINC000175435066 882579960 /nfs/dbraw/zinc/57/99/60/882579960.db2.gz JOUAQXNKXOZNCZ-UHFFFAOYSA-N 0 0 385.423 3.665 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc2oc(=O)ccc2c1 ZINC000101604378 872140280 /nfs/dbraw/zinc/14/02/80/872140280.db2.gz GIHLIVDGEFYYJQ-UHFFFAOYSA-N 0 0 393.374 3.951 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000175468830 882584804 /nfs/dbraw/zinc/58/48/04/882584804.db2.gz ODMRLGDXQMPNME-UHFFFAOYSA-N 0 0 398.360 3.641 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)C[C@H]1CCCO1 ZINC000101691350 872199427 /nfs/dbraw/zinc/19/94/27/872199427.db2.gz WHKMEYVWGMMOGO-CQSZACIVSA-N 0 0 382.291 3.798 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(C)Cc3cc4ccccc4o3)CC2)n1 ZINC000175526949 882594407 /nfs/dbraw/zinc/59/44/07/882594407.db2.gz FRJVOROARDMIQV-UHFFFAOYSA-N 0 0 378.476 3.947 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)C2CCN(C(=O)OCC(C)C)CC2)cc1F ZINC000101810069 872277990 /nfs/dbraw/zinc/27/79/90/872277990.db2.gz MJQJAPXPGBARNO-CQSZACIVSA-N 0 0 380.460 3.516 10 0 GHAERN COc1ccccc1[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000175595354 882600517 /nfs/dbraw/zinc/60/05/17/882600517.db2.gz YEFVUYSVMCFHAX-IBGZPJMESA-N 0 0 396.491 3.835 10 0 GHAERN Cc1nc2cc(NC(=O)NCC3CCN(C(=O)OC(C)(C)C)CC3)ccc2o1 ZINC000102027866 872491783 /nfs/dbraw/zinc/49/17/83/872491783.db2.gz FIEZKYIFJVUVPK-UHFFFAOYSA-N 0 0 388.468 3.905 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21)c1nccs1 ZINC000175802610 882633208 /nfs/dbraw/zinc/63/32/08/882633208.db2.gz JOWNTCBQMZBNAI-RDJZCZTQSA-N 0 0 398.532 3.920 10 0 GHAERN CC(C)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000176086611 882665092 /nfs/dbraw/zinc/66/50/92/882665092.db2.gz BPDNLTGBHPFOCZ-GJZGRUSLSA-N 0 0 384.517 3.758 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000176725747 882707284 /nfs/dbraw/zinc/70/72/84/882707284.db2.gz PGCOHEWXQKXRKP-CYBMUJFWSA-N 0 0 381.542 3.661 10 0 GHAERN CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116568278 873567766 /nfs/dbraw/zinc/56/77/66/873567766.db2.gz YASZXYPXXCIGOR-UGKGYDQZSA-N 0 0 380.536 3.912 10 0 GHAERN S=c1oc(-c2ccncc2)nn1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921322 873881724 /nfs/dbraw/zinc/88/17/24/873881724.db2.gz VAWMMONSEIEFOF-OAHLLOKOSA-N 0 0 382.445 3.791 10 0 GHAERN O=C(Nc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177507709 882808323 /nfs/dbraw/zinc/80/83/23/882808323.db2.gz AFOAIFDKZULXBA-LLVKDONJSA-N 0 0 383.395 3.507 10 0 GHAERN Cc1ccccc1[C@@H](CC(=O)Nc1cnccc1-c1cccc(F)c1)NC(N)=O ZINC000177531946 882811323 /nfs/dbraw/zinc/81/13/23/882811323.db2.gz HKWDCZSOGUWSMN-LJQANCHMSA-N 0 0 392.434 3.934 10 0 GHAERN Cc1ccccc1[C@H](CC(=O)Nc1cnccc1-c1cccc(F)c1)NC(N)=O ZINC000177531959 882811941 /nfs/dbraw/zinc/81/19/41/882811941.db2.gz HKWDCZSOGUWSMN-IBGZPJMESA-N 0 0 392.434 3.934 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177273750 882814940 /nfs/dbraw/zinc/81/49/40/882814940.db2.gz YWCJWDIJBDEQCJ-ZDUSSCGKSA-N 0 0 396.472 3.506 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3nnc(C(F)F)s3)C2)c1 ZINC000177802818 882828377 /nfs/dbraw/zinc/82/83/77/882828377.db2.gz FZRPLEBUKPJQQN-SECBINFHSA-N 0 0 384.408 3.514 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407684 882850654 /nfs/dbraw/zinc/85/06/54/882850654.db2.gz OTKKQNYAMZXPTG-QZTJIDSGSA-N 0 0 398.507 3.715 10 0 GHAERN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CC=C(c2ccccc2)CC1 ZINC000178002441 882854841 /nfs/dbraw/zinc/85/48/41/882854841.db2.gz UOOLDYJGUVYSJG-UHFFFAOYSA-N 0 0 391.439 3.754 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 ZINC000119019104 874844450 /nfs/dbraw/zinc/84/44/50/874844450.db2.gz YPFDBIKPYWNWET-SFHVURJKSA-N 0 0 397.544 3.978 10 0 GHAERN Cc1ccc(N2C[C@@H](C(=O)N(Cc3cccs3)C[C@H]3CCCO3)CC2=O)cc1 ZINC000104919631 874849332 /nfs/dbraw/zinc/84/93/32/874849332.db2.gz FTMZYPKKUMSQMB-PKOBYXMFSA-N 0 0 398.528 3.617 10 0 GHAERN CC(C)c1csc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000178232910 882878366 /nfs/dbraw/zinc/87/83/66/882878366.db2.gz WYPGZWZLKAFISE-UHFFFAOYSA-N 0 0 389.496 3.574 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178324050 882903722 /nfs/dbraw/zinc/90/37/22/882903722.db2.gz IJZQJNYSLJPZNE-UTKZUKDTSA-N 0 0 382.847 3.702 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178324018 882903835 /nfs/dbraw/zinc/90/38/35/882903835.db2.gz IJZQJNYSLJPZNE-LAUBAEHRSA-N 0 0 382.847 3.702 10 0 GHAERN CC(C)[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1nc2ccccc2[nH]1 ZINC000178398360 882908844 /nfs/dbraw/zinc/90/88/44/882908844.db2.gz WMZFILNVNHXVJV-APWZRJJASA-N 0 0 379.464 3.518 10 0 GHAERN CNC(=O)CCCN(C)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000178795803 882921840 /nfs/dbraw/zinc/92/18/40/882921840.db2.gz CMZWHIKQVOOJMQ-QGZVFWFLSA-N 0 0 379.913 3.659 10 0 GHAERN C[C@@H]1C(=O)NCCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000302745844 875330151 /nfs/dbraw/zinc/33/01/51/875330151.db2.gz FGXKXTZQEYNHQF-CYBMUJFWSA-N 0 0 378.501 3.951 10 0 GHAERN CC(C)(C)Oc1ccncc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178669566 882929412 /nfs/dbraw/zinc/92/94/12/882929412.db2.gz DTKNOQKBWDZFPM-UHFFFAOYSA-N 0 0 387.505 3.811 10 0 GHAERN CCOc1ccc(CNC(=O)c2sccc2NC(=O)c2ccncc2)cc1F ZINC000106033617 875710741 /nfs/dbraw/zinc/71/07/41/875710741.db2.gz NEQKNTSQGWVSGM-UHFFFAOYSA-N 0 0 399.447 3.863 10 0 GHAERN CC[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1c(C)noc1C ZINC000179395567 882966823 /nfs/dbraw/zinc/96/68/23/882966823.db2.gz KGSNJAQOOYAGBQ-SFHVURJKSA-N 0 0 390.528 3.567 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(N4CCCC4=O)cc3)CCO2)o1 ZINC000179186883 882978376 /nfs/dbraw/zinc/97/83/76/882978376.db2.gz JEGVIKUONIELHN-OXJNMPFZSA-N 0 0 397.475 3.559 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2ncc(Br)s2)c2ccccc2)[nH]1 ZINC000179223144 882980854 /nfs/dbraw/zinc/98/08/54/882980854.db2.gz BWQQQJXFLVOPEI-NOZJJQNGSA-N 0 0 378.299 3.772 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)NC1CCN(c2cccs2)CC1 ZINC000120539985 876098484 /nfs/dbraw/zinc/09/84/84/876098484.db2.gz SWBPAQYLLNOMIH-ONEGZZNKSA-N 0 0 392.937 3.909 10 0 GHAERN COc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)sc1Br ZINC000179561420 883009632 /nfs/dbraw/zinc/00/96/32/883009632.db2.gz HRRMMBPCQLOCEE-GFCCVEGCSA-N 0 0 386.267 3.634 10 0 GHAERN C[C@H](Cc1nc2ccccc2s1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000120764882 876257849 /nfs/dbraw/zinc/25/78/49/876257849.db2.gz RPLBAKJNNJWQFC-SJKOYZFVSA-N 0 0 397.525 3.847 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CCO2)o1 ZINC000120833485 876314267 /nfs/dbraw/zinc/31/42/67/876314267.db2.gz IDXUVNCIPNMHIW-UZLBHIALSA-N 0 0 380.448 3.618 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000120853073 876319859 /nfs/dbraw/zinc/31/98/59/876319859.db2.gz PHYXVIUCKMJPMX-YVEFUNNKSA-N 0 0 392.286 3.870 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180143894 883062673 /nfs/dbraw/zinc/06/26/73/883062673.db2.gz NTNPWTWMHWAQDR-CABCVRRESA-N 0 0 397.306 3.783 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cc(C)nc4c3cnn4C(C)C)CC2)nc1 ZINC000180867366 883105047 /nfs/dbraw/zinc/10/50/47/883105047.db2.gz PUYBGHDZOYVZCI-UHFFFAOYSA-N 0 0 393.491 3.708 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1)c1cccs1 ZINC000180893540 883106167 /nfs/dbraw/zinc/10/61/67/883106167.db2.gz YANCSAFKTYCXDX-HNNXBMFYSA-N 0 0 386.452 3.587 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000122161380 878409069 /nfs/dbraw/zinc/40/90/69/878409069.db2.gz MKWWJSWSTXBGOD-DYESRHJHSA-N 0 0 392.499 3.836 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cc1 ZINC000122200041 878429622 /nfs/dbraw/zinc/42/96/22/878429622.db2.gz AARBIHKWWVZFPD-GDBMZVCRSA-N 0 0 378.428 3.662 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000122217266 878564344 /nfs/dbraw/zinc/56/43/44/878564344.db2.gz DXCDHQOSZQGCCX-MAUKXSAKSA-N 0 0 380.444 3.670 10 0 GHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000123392292 880306145 /nfs/dbraw/zinc/30/61/45/880306145.db2.gz GLPOOGJPRNDKIT-NKSUMMKUSA-N 0 0 386.446 3.702 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3c(Cl)n(C)nc3C(C)C)CC2)nc1 ZINC000181567160 883163932 /nfs/dbraw/zinc/16/39/32/883163932.db2.gz NUGJQRYJYCNZBO-UHFFFAOYSA-N 0 0 376.888 3.584 10 0 GHAERN COc1ccccc1[C@@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1noc(C)n1 ZINC000182041795 883200459 /nfs/dbraw/zinc/20/04/59/883200459.db2.gz WVDVNGMGFXJYNG-LHSJRXKWSA-N 0 0 395.459 3.988 10 0 GHAERN Cn1nc(C2CCCC2)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000182319631 883214594 /nfs/dbraw/zinc/21/45/94/883214594.db2.gz KBOXUEAOQLGBRN-UHFFFAOYSA-N 0 0 386.521 3.630 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2c(F)cc(Cl)cc2F)c2ccccc2)[nH]1 ZINC000182841837 883244728 /nfs/dbraw/zinc/24/47/28/883244728.db2.gz JGFJBJLELMUSGR-AWEZNQCLSA-N 0 0 377.782 3.956 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184025059 883300555 /nfs/dbraw/zinc/30/05/55/883300555.db2.gz QWUXRAIATAHQCC-OAQYLSRUSA-N 0 0 383.467 3.503 10 0 GHAERN Cc1nc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(-c2ccccc2)o1 ZINC000183862203 883306778 /nfs/dbraw/zinc/30/67/78/883306778.db2.gz AYZIPVVVCTYVIP-UHFFFAOYSA-N 0 0 395.503 3.905 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)NCc1ncc(-c2ccccc2)cn1 ZINC000183882389 883308384 /nfs/dbraw/zinc/30/83/84/883308384.db2.gz FIYOFRIISMCQPC-VOTSOKGWSA-N 0 0 395.875 3.836 10 0 GHAERN CCOC(=O)Cc1csc(NC(=O)N2CC=C(c3ccccc3F)CC2)n1 ZINC000184110345 883319004 /nfs/dbraw/zinc/31/90/04/883319004.db2.gz IBXPFMVSXVWRCN-UHFFFAOYSA-N 0 0 389.452 3.709 10 0 GHAERN COCC(=O)N1CCc2c1cccc2NCc1cccn1Cc1cccs1 ZINC000184127322 883323009 /nfs/dbraw/zinc/32/30/09/883323009.db2.gz OMBBMIWDKNWAJZ-UHFFFAOYSA-N 0 0 381.501 3.746 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2F)c2ccc(F)cc2C1 ZINC000184160472 883325753 /nfs/dbraw/zinc/32/57/53/883325753.db2.gz LXIUBZAVWKNTLZ-INIZCTEOSA-N 0 0 396.796 3.981 10 0 GHAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184058527 883331672 /nfs/dbraw/zinc/33/16/72/883331672.db2.gz GTPYZYGJNUUCEW-FGZHOGPDSA-N 0 0 397.490 3.890 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000184822881 883383568 /nfs/dbraw/zinc/38/35/68/883383568.db2.gz LXMPRFAGSOMIQN-SJLPKXTDSA-N 0 0 375.513 3.556 10 0 GHAERN CC(C)n1c2ccccc2nc1[C@H](C)NCC(=O)N1CCc2sccc2C1 ZINC000184762121 883392618 /nfs/dbraw/zinc/39/26/18/883392618.db2.gz HUUXIICUMSSQIQ-HNNXBMFYSA-N 0 0 382.533 3.914 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)c2ccc(F)cc2C1 ZINC000185502897 883546295 /nfs/dbraw/zinc/54/62/95/883546295.db2.gz XLOIDZNIRRORFA-IBGZPJMESA-N 0 0 379.435 3.839 10 0 GHAERN COc1cccc([C@H](C)C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185504618 883546560 /nfs/dbraw/zinc/54/65/60/883546560.db2.gz VBPYVGZUFBFDLN-LHSJRXKWSA-N 0 0 384.451 3.548 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CSc3ccccc32)c2ccc(F)cc2C1 ZINC000185558130 883557291 /nfs/dbraw/zinc/55/72/91/883557291.db2.gz UOSNONUJXLSLTL-MOPGFXCFSA-N 0 0 384.476 3.625 10 0 GHAERN COc1ccc(F)cc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185568617 883558510 /nfs/dbraw/zinc/55/85/10/883558510.db2.gz KCAYBKGOAOMNAX-QGZVFWFLSA-N 0 0 389.402 3.588 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC1 ZINC000102564654 883562492 /nfs/dbraw/zinc/56/24/92/883562492.db2.gz YRYDKZYDKOFERG-QGZVFWFLSA-N 0 0 384.524 3.501 10 0 GHAERN C[C@@H](C(=O)N1CC=C(c2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000185682822 883572000 /nfs/dbraw/zinc/57/20/00/883572000.db2.gz LBPCPTNLFZQEHV-CQSZACIVSA-N 0 0 376.522 3.867 10 0 GHAERN COc1ccccc1NC(=O)C[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186058463 883607683 /nfs/dbraw/zinc/60/76/83/883607683.db2.gz PJWMYYGICIDXMK-INIZCTEOSA-N 0 0 376.460 3.659 10 0 GHAERN CCN(CC(F)F)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000186476847 883649763 /nfs/dbraw/zinc/64/97/63/883649763.db2.gz JGORTJHQKIPQBP-UHFFFAOYSA-N 0 0 388.802 3.698 10 0 GHAERN O=C(CCN1CCCN(C(=O)c2ccccc2F)CC1)c1ccc(F)cc1F ZINC000186498063 883651072 /nfs/dbraw/zinc/65/10/72/883651072.db2.gz RHPHTCQNRRAJJP-UHFFFAOYSA-N 0 0 390.405 3.525 10 0 GHAERN CC[C@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000186384563 883652919 /nfs/dbraw/zinc/65/29/19/883652919.db2.gz QPRVWXQATIWBJI-IBGZPJMESA-N 0 0 382.529 3.964 10 0 GHAERN Cc1cccc2c(CCNC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)c[nH]c21 ZINC000186578886 883664574 /nfs/dbraw/zinc/66/45/74/883664574.db2.gz OXCIXCJOMGMPGG-UHFFFAOYSA-N 0 0 377.448 3.818 10 0 GHAERN Cc1nc([C@H](NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c2ccccc2F)no1 ZINC000186566475 883664603 /nfs/dbraw/zinc/66/46/03/883664603.db2.gz UYHKDGCVOIOJDD-MJXNMMHHSA-N 0 0 395.438 3.794 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186644871 883681043 /nfs/dbraw/zinc/68/10/43/883681043.db2.gz MBOFLFYEFQWIRQ-GOSISDBHSA-N 0 0 394.475 3.912 10 0 GHAERN CN1Cc2cc(NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)ccc2NC1=O ZINC000186675472 883686350 /nfs/dbraw/zinc/68/63/50/883686350.db2.gz VBWHYXFSDCDLIP-HXUWFJFHSA-N 0 0 394.475 3.568 10 0 GHAERN COc1cccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186702194 883693610 /nfs/dbraw/zinc/69/36/10/883693610.db2.gz WJGXCEJLVRNNGN-UHFFFAOYSA-N 0 0 382.464 3.772 10 0 GHAERN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC(Nc2nccs2)CC1 ZINC000186790392 883703087 /nfs/dbraw/zinc/70/30/87/883703087.db2.gz PJUBFDOGANOXHY-ZWKOTPCHSA-N 0 0 386.521 3.649 10 0 GHAERN O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)N1Cc2ccccc2C2(CC2)C1 ZINC000186967241 883739659 /nfs/dbraw/zinc/73/96/59/883739659.db2.gz JXMSTUZRKCZUDS-UHFFFAOYSA-N 0 0 392.427 3.762 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000187330245 883770615 /nfs/dbraw/zinc/77/06/15/883770615.db2.gz ZUZBILINIQMBMH-HOCLYGCPSA-N 0 0 394.541 3.601 10 0 GHAERN CSCc1cccc(CNC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000187403735 883789269 /nfs/dbraw/zinc/78/92/69/883789269.db2.gz ZAJJJPPWUHMWLN-SFHVURJKSA-N 0 0 381.505 3.565 10 0 GHAERN COCCC1(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCCCC1 ZINC000187487937 883794980 /nfs/dbraw/zinc/79/49/80/883794980.db2.gz RRRLIVSSKSQXKE-KRWDZBQOSA-N 0 0 376.522 3.593 10 0 GHAERN Cc1cc(C)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1Br ZINC000187561071 883800561 /nfs/dbraw/zinc/80/05/61/883800561.db2.gz GPTSZNWPKHWDCB-AWEZNQCLSA-N 0 0 378.274 3.943 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000187811112 883808577 /nfs/dbraw/zinc/80/85/77/883808577.db2.gz XTCBHTMRILBHEL-IBGZPJMESA-N 0 0 396.535 3.740 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C)nc(C(F)(F)F)n3)C2)cc1 ZINC000188155744 883826658 /nfs/dbraw/zinc/82/66/58/883826658.db2.gz XBWLNOSFLKTODN-JSGCOSHPSA-N 0 0 379.382 3.831 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C2(Cc3ccccc3F)CC2)c2ccc(F)cc2C1 ZINC000188587744 883844260 /nfs/dbraw/zinc/84/42/60/883844260.db2.gz ZEICJPHPRGEXBE-OAQYLSRUSA-N 0 0 398.453 3.897 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000188404141 883847128 /nfs/dbraw/zinc/84/71/28/883847128.db2.gz GIHIGVJYDUZRPD-CQSZACIVSA-N 0 0 393.553 3.661 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)cc1 ZINC000188436829 883850646 /nfs/dbraw/zinc/85/06/46/883850646.db2.gz RCCFKRPHRGNEEF-CWFIWJMMSA-N 0 0 386.398 3.537 10 0 GHAERN COc1cc(/C=C(/C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)c2ccccc2)ccc1O ZINC000189316869 883936981 /nfs/dbraw/zinc/93/69/81/883936981.db2.gz ZCSMLOMJCKFFKY-NTWYNKKHSA-N 0 0 379.456 3.625 10 0 GHAERN CS(=O)(=O)c1cccc(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000189514539 883959660 /nfs/dbraw/zinc/95/96/60/883959660.db2.gz ODFUIFOOLYLTGF-ZDUSSCGKSA-N 0 0 394.443 3.780 10 0 GHAERN C[C@@H](O)C[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189563194 883963368 /nfs/dbraw/zinc/96/33/68/883963368.db2.gz RLIOARBOGCZBJZ-UYAOXDASSA-N 0 0 394.515 3.819 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000189794695 883996347 /nfs/dbraw/zinc/99/63/47/883996347.db2.gz DSLAWYXLARXIGJ-MWLCHTKSSA-N 0 0 389.677 3.765 10 0 GHAERN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189813415 884013509 /nfs/dbraw/zinc/01/35/09/884013509.db2.gz VRRNGWQNYRTOND-LJQANCHMSA-N 0 0 398.528 3.598 10 0 GHAERN CC(C)c1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)n(-c2ncccn2)n1 ZINC000190081244 884035946 /nfs/dbraw/zinc/03/59/46/884035946.db2.gz VTWNPYQCNVNKND-AWEZNQCLSA-N 0 0 397.508 3.654 10 0 GHAERN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000063670870 884038788 /nfs/dbraw/zinc/03/87/88/884038788.db2.gz CQIMKZRARFUFLO-UHFFFAOYSA-N 0 0 388.427 3.619 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000190134277 884047530 /nfs/dbraw/zinc/04/75/30/884047530.db2.gz QFDAOZBNBARPNY-HIFRSBDPSA-N 0 0 376.482 3.872 10 0 GHAERN Cc1cc(CNC(=O)NCc2cccnc2-n2cncn2)ccc1-c1ccccc1 ZINC000190187485 884050813 /nfs/dbraw/zinc/05/08/13/884050813.db2.gz PRVZAFKQAWXAHM-UHFFFAOYSA-N 0 0 398.470 3.637 10 0 GHAERN O=C(NCCc1ccccc1OC(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000190254313 884061204 /nfs/dbraw/zinc/06/12/04/884061204.db2.gz VNULDODGCOZBMD-AWEZNQCLSA-N 0 0 381.448 3.876 10 0 GHAERN O=C(c1cnc(-c2ncccn2)s1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190278156 884064204 /nfs/dbraw/zinc/06/42/04/884064204.db2.gz NCXXTCLCEZMDRP-GFCCVEGCSA-N 0 0 386.427 3.898 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Nc4nccs4)CC3)cc2)n1 ZINC000190372039 884072502 /nfs/dbraw/zinc/07/25/02/884072502.db2.gz CUNCGAYSNDVVAN-UHFFFAOYSA-N 0 0 395.532 3.721 10 0 GHAERN Cc1c(C(=O)N2CCCSc3ccc(F)cc32)cccc1N1CCNC1=O ZINC000190424797 884079389 /nfs/dbraw/zinc/07/93/89/884079389.db2.gz XGLKNQAWWCWQAB-UHFFFAOYSA-N 0 0 385.464 3.806 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000190724048 884102465 /nfs/dbraw/zinc/10/24/65/884102465.db2.gz RBQVGUQBBFKTQR-UHFFFAOYSA-N 0 0 395.846 3.996 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC000190619869 884103753 /nfs/dbraw/zinc/10/37/53/884103753.db2.gz NLXHDMVTTWZVMJ-HNNXBMFYSA-N 0 0 387.505 3.619 10 0 GHAERN O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191199276 884158342 /nfs/dbraw/zinc/15/83/42/884158342.db2.gz DBNLEWRWKOIIDR-OAHLLOKOSA-N 0 0 382.410 3.686 10 0 GHAERN CCOC(=O)c1csc(C2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000191548003 884198676 /nfs/dbraw/zinc/19/86/76/884198676.db2.gz YDPYTNZSLLRWMZ-OAHLLOKOSA-N 0 0 391.320 3.610 10 0 GHAERN CCc1c(NC(=O)NC2CCC(O)CC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000191598397 884203012 /nfs/dbraw/zinc/20/30/12/884203012.db2.gz OPGADDYOXPSOIA-UHFFFAOYSA-N 0 0 396.413 3.879 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000192430113 884261785 /nfs/dbraw/zinc/26/17/85/884261785.db2.gz PENSVSPQMYFBAP-GOSISDBHSA-N 0 0 399.495 3.554 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000102695935 884281396 /nfs/dbraw/zinc/28/13/96/884281396.db2.gz MXFBYTDNUZDSAG-KBPBESRZSA-N 0 0 376.884 3.885 10 0 GHAERN COc1cc(SC)ccc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000192672360 884287731 /nfs/dbraw/zinc/28/77/31/884287731.db2.gz HPERQOIETCETRM-UHFFFAOYSA-N 0 0 386.521 3.911 10 0 GHAERN COCCNC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccc(C)cc2)c1 ZINC000102728108 884381812 /nfs/dbraw/zinc/38/18/12/884381812.db2.gz CSXSUHGADIASCT-UHFFFAOYSA-N 0 0 388.895 3.986 10 0 GHAERN CCc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)n[nH]1 ZINC000102784890 884452609 /nfs/dbraw/zinc/45/26/09/884452609.db2.gz VPTJXSRNBPCEDN-CQSZACIVSA-N 0 0 381.263 3.522 10 0 GHAERN C[C@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000102804310 884467829 /nfs/dbraw/zinc/46/78/29/884467829.db2.gz MYQILDXSBJRCCT-IRXDYDNUSA-N 0 0 377.492 3.994 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000102808588 884470502 /nfs/dbraw/zinc/47/05/02/884470502.db2.gz YZOVJCVMQOCITF-ZWKOTPCHSA-N 0 0 387.568 3.935 10 0 GHAERN Cc1nc(S(=O)(=O)Cc2nc(-c3ccoc3)no2)n(C2CCCCC2)c1C ZINC000105723740 884843735 /nfs/dbraw/zinc/84/37/35/884843735.db2.gz BGFNGEIYWVXEPC-UHFFFAOYSA-N 0 0 390.465 3.622 10 0 GHAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000193538817 885236477 /nfs/dbraw/zinc/23/64/77/885236477.db2.gz IXPIZQPYGCOIMH-YADHBBJMSA-N 0 0 392.499 3.529 10 0 GHAERN O=C(NCC1(c2ccccc2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000011749742 885788723 /nfs/dbraw/zinc/78/87/23/885788723.db2.gz KVMABHJRSIGFTK-UHFFFAOYSA-N 0 0 380.463 3.526 10 0 GHAERN Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)N1CCC(n2cncn2)CC1 ZINC000101992047 885958890 /nfs/dbraw/zinc/95/88/90/885958890.db2.gz XPKODXCALZXVRW-OAHLLOKOSA-N 0 0 396.520 3.818 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cc(Br)ccc2F)c2ccccc2)[nH]1 ZINC000103282204 885990122 /nfs/dbraw/zinc/99/01/22/885990122.db2.gz CSWXZPMTSHXTGZ-HNNXBMFYSA-N 0 0 389.228 3.534 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000112352365 886259271 /nfs/dbraw/zinc/25/92/71/886259271.db2.gz WOIISSURADAOLU-UHFFFAOYSA-N 0 0 392.908 3.616 10 0 GHAERN O=C(Nc1ccc2ncsc2c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112418844 886262061 /nfs/dbraw/zinc/26/20/61/886262061.db2.gz NFWRYUBMHGHWRJ-UHFFFAOYSA-N 0 0 386.502 3.738 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)/C=C/c3ccc(Oc4cccnc4)c(F)c3)C2)cn1 ZINC000116116838 886354680 /nfs/dbraw/zinc/35/46/80/886354680.db2.gz BCNQKTGBZSIZLO-QQOXCAACSA-N 0 0 392.434 3.776 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000117625148 886388670 /nfs/dbraw/zinc/38/86/70/886388670.db2.gz PPRMWQMZSGZVEJ-YCRPNKLZSA-N 0 0 387.439 3.515 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1OC ZINC000117627163 886388894 /nfs/dbraw/zinc/38/88/94/886388894.db2.gz JIXDDSDFFIOMGA-BTDLBPIBSA-N 0 0 392.249 3.970 10 0 GHAERN O=C(c1ccccc1C(F)(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053640129 886394610 /nfs/dbraw/zinc/39/46/10/886394610.db2.gz VNQMKYATYMESMM-UHFFFAOYSA-N 0 0 382.426 3.960 10 0 GHAERN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000117804990 886395307 /nfs/dbraw/zinc/39/53/07/886395307.db2.gz LLZZSYAPXWUQJA-WMZOPIPTSA-N 0 0 376.460 3.645 10 0 GHAERN CCc1nc2cc(NC(=O)N[C@H](c3nnc(C)[nH]3)c3ccccc3)ccc2o1 ZINC000118046369 886399839 /nfs/dbraw/zinc/39/98/39/886399839.db2.gz BOPJRTRSTZZWPX-SFHVURJKSA-N 0 0 376.420 3.728 10 0 GHAERN COc1cc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)ccc1Br ZINC000119398948 886454664 /nfs/dbraw/zinc/45/46/64/886454664.db2.gz BONQYTDTRMZEQA-CQSZACIVSA-N 0 0 392.253 3.538 10 0 GHAERN COc1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)ccc1Br ZINC000119398808 886455591 /nfs/dbraw/zinc/45/55/91/886455591.db2.gz BONQYTDTRMZEQA-AWEZNQCLSA-N 0 0 392.253 3.538 10 0 GHAERN Cc1ccccc1COc1ccccc1C(=O)N1CCC(n2cncn2)CC1 ZINC000120407115 886518856 /nfs/dbraw/zinc/51/88/56/886518856.db2.gz KCJAGLZGIJBNTC-UHFFFAOYSA-N 0 0 376.460 3.643 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)CCC2 ZINC000332862035 886556342 /nfs/dbraw/zinc/55/63/42/886556342.db2.gz FKPPYMPSRASRIE-ZWKOTPCHSA-N 0 0 398.507 3.509 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000332968839 886564355 /nfs/dbraw/zinc/56/43/55/886564355.db2.gz JKNBAMLCOBHSIH-MGPQQGTHSA-N 0 0 386.418 3.957 10 0 GHAERN Cn1cc(C(=O)N2CCC(Cc3nccn3C)CC2)c(-c2ccccc2Cl)n1 ZINC000121969251 886572752 /nfs/dbraw/zinc/57/27/52/886572752.db2.gz XSTVBIHMUWSSRD-UHFFFAOYSA-N 0 0 397.910 3.569 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3cccc(NC(C)=O)c3)C2)cc1 ZINC000123640042 886657641 /nfs/dbraw/zinc/65/76/41/886657641.db2.gz NDDJOINTYNNWGS-HNAYVOBHSA-N 0 0 381.476 3.741 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)c2ccccc2F)no1 ZINC000124485246 886755176 /nfs/dbraw/zinc/75/51/76/886755176.db2.gz AZCJJCYLSYDHLF-KRWDZBQOSA-N 0 0 390.365 3.726 10 0 GHAERN Cc1nc([C@H](NC(=O)NC2(c3ccccc3F)CC2)c2ccccc2F)no1 ZINC000124507605 886759624 /nfs/dbraw/zinc/75/96/24/886759624.db2.gz FCTLKMWNTBBXIK-QGZVFWFLSA-N 0 0 384.386 3.734 10 0 GHAERN CCS[C@H]1CCCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124565256 886765997 /nfs/dbraw/zinc/76/59/97/886765997.db2.gz QKUKXCGRBQBLSM-YOEHRIQHSA-N 0 0 392.500 3.924 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(F)cc1F ZINC000042806962 886816939 /nfs/dbraw/zinc/81/69/39/886816939.db2.gz URHWDOXTTFAHBU-KBPBESRZSA-N 0 0 385.418 3.658 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000126367202 886962613 /nfs/dbraw/zinc/96/26/13/886962613.db2.gz KFDFZSDBXHRKEN-SFTDATJTSA-N 0 0 396.531 3.953 10 0 GHAERN O=C(c1sc2ccccc2c1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000126372390 886962974 /nfs/dbraw/zinc/96/29/74/886962974.db2.gz CJYYCVSKTWZBSB-UHFFFAOYSA-N 0 0 389.908 3.763 10 0 GHAERN CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000126814917 887008591 /nfs/dbraw/zinc/00/85/91/887008591.db2.gz TZKXAIJMFLBWLA-QGZVFWFLSA-N 0 0 395.488 3.674 10 0 GHAERN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278585 887041621 /nfs/dbraw/zinc/04/16/21/887041621.db2.gz YQHFBBGXMLZWBL-JKSUJKDBSA-N 0 0 390.530 3.686 10 0 GHAERN CC(C)[C@H]1CCc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000127841689 887110198 /nfs/dbraw/zinc/11/01/98/887110198.db2.gz BYLVJALFDAXKFA-OAQYLSRUSA-N 0 0 391.515 3.938 10 0 GHAERN COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2C)c2nccn2C)cc1 ZINC000127955506 887128742 /nfs/dbraw/zinc/12/87/42/887128742.db2.gz QPDJXXPXGIUFSJ-ACRUOGEOSA-N 0 0 375.472 3.746 10 0 GHAERN COc1ccc([C@H](C)CCNC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000128168559 887152764 /nfs/dbraw/zinc/15/27/64/887152764.db2.gz XVUBELKWVCYDIQ-QGZVFWFLSA-N 0 0 384.524 3.587 10 0 GHAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000046335040 887181409 /nfs/dbraw/zinc/18/14/09/887181409.db2.gz ANUVRVUBOPBOJB-WMLDXEAASA-N 0 0 388.899 3.789 10 0 GHAERN O=C(NC[C@@H](O)c1ccc(Cl)c(F)c1)NC1CCN(c2cccs2)CC1 ZINC000132463761 887662331 /nfs/dbraw/zinc/66/23/31/887662331.db2.gz SDIDRFXPEYMDSM-MRXNPFEDSA-N 0 0 397.903 3.542 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3c(C)onc3-c3ccccn3)C2)c1 ZINC000133824387 887805199 /nfs/dbraw/zinc/80/51/99/887805199.db2.gz OAQWSWXDBIDJKV-OAHLLOKOSA-N 0 0 393.443 3.692 10 0 GHAERN COc1ccc(CCCCCC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134308548 887859371 /nfs/dbraw/zinc/85/93/71/887859371.db2.gz XZHOJJHVIHFKFM-UGKGYDQZSA-N 0 0 399.535 3.504 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000134757469 887909464 /nfs/dbraw/zinc/90/94/64/887909464.db2.gz UCVQSWIFQRAWKG-YVWKXTFCSA-N 0 0 385.508 3.638 10 0 GHAERN CCc1ccc([C@H](C)NC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000054378453 888272855 /nfs/dbraw/zinc/27/28/55/888272855.db2.gz ZHABWRYBBOGQQY-HNNXBMFYSA-N 0 0 384.480 3.667 10 0 GHAERN C[C@@H](Cc1ccccc1F)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000054621325 888282118 /nfs/dbraw/zinc/28/21/18/888282118.db2.gz XPBWEFYQDHKABF-KRWDZBQOSA-N 0 0 389.515 3.581 10 0 GHAERN O=C(c1ccc(OCC2CC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000055136118 888304172 /nfs/dbraw/zinc/30/41/72/888304172.db2.gz ZLSPJDFUGQRJFL-UHFFFAOYSA-N 0 0 384.520 3.730 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(OCC3CC3)cc2)CC1)c1ccccc1F ZINC000055250866 888309895 /nfs/dbraw/zinc/30/98/95/888309895.db2.gz UZWYBKLBCFUQBY-UHFFFAOYSA-N 0 0 396.462 3.649 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)NCc2ccccc2OC2CCC2)C1 ZINC000141295076 888480313 /nfs/dbraw/zinc/48/03/13/888480313.db2.gz KEVZERCGGGULSL-QGZVFWFLSA-N 0 0 382.508 3.516 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000193843850 888532566 /nfs/dbraw/zinc/53/25/66/888532566.db2.gz BOQTZTFZCDJZAR-UHFFFAOYSA-N 0 0 397.494 3.900 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cccc(-c2ccnc(C)n2)c1)c1cccs1 ZINC000194082524 888554806 /nfs/dbraw/zinc/55/48/06/888554806.db2.gz KZPVUPCJFKLRAH-INIZCTEOSA-N 0 0 380.473 3.720 10 0 GHAERN CCC[C@@]1(COC)CCCN1C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000194114454 888558510 /nfs/dbraw/zinc/55/85/10/888558510.db2.gz BOZGOSRKLSTFKL-PXNSSMCTSA-N 0 0 390.459 3.597 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1ccc[nH]c1=S ZINC000194488725 888590471 /nfs/dbraw/zinc/59/04/71/888590471.db2.gz MKDNNEYOYWJCRL-LBPRGKRZSA-N 0 0 392.322 3.763 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000194659357 888604129 /nfs/dbraw/zinc/60/41/29/888604129.db2.gz LLELYJIDPKOTCB-JKSUJKDBSA-N 0 0 386.377 3.706 10 0 GHAERN OCCn1nccc1C1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000195508710 888683390 /nfs/dbraw/zinc/68/33/90/888683390.db2.gz LJVCERYPFYUPPS-UHFFFAOYSA-N 0 0 385.842 3.510 10 0 GHAERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000245418284 888747076 /nfs/dbraw/zinc/74/70/76/888747076.db2.gz ARJWSFJUJICTCE-LMMKCTJWSA-N 0 0 393.911 3.591 10 0 GHAERN CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](c3nncn3C(C)C)C2)c1 ZINC000245434050 888752544 /nfs/dbraw/zinc/75/25/44/888752544.db2.gz PMHFQKZFXXGWTC-CVEARBPZSA-N 0 0 387.553 3.788 10 0 GHAERN CN1CC[C@@H](NC(=O)CCC(=O)c2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245692375 889288623 /nfs/dbraw/zinc/28/86/23/889288623.db2.gz PBVKIRUSNPOUKG-DNVCBOLYSA-N 0 0 378.444 3.551 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123628881 889350064 /nfs/dbraw/zinc/35/00/64/889350064.db2.gz GEDIYJCAMZLXNJ-VYDXJSESSA-N 0 0 398.425 3.920 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)cc2)CCO1 ZINC000246102625 890378763 /nfs/dbraw/zinc/37/87/63/890378763.db2.gz NLSKOCPJZRQKLT-NSISKUIASA-N 0 0 399.491 3.625 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246136039 890459700 /nfs/dbraw/zinc/45/97/00/890459700.db2.gz PGFHGLDXHROFNW-MISYRCLQSA-N 0 0 397.519 3.747 10 0 GHAERN CC[C@H](C)c1ccc(NC(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000246211555 890740891 /nfs/dbraw/zinc/74/08/91/890740891.db2.gz ZJIUWEJFSHMHAB-FUHWJXTLSA-N 0 0 381.524 3.556 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246239236 890805356 /nfs/dbraw/zinc/80/53/56/890805356.db2.gz ZMUPYZJHCKWNLK-ZNMIVQPWSA-N 0 0 378.398 3.614 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000246349990 891054215 /nfs/dbraw/zinc/05/42/15/891054215.db2.gz GAAYBUGVNPDNRV-XYJFISCASA-N 0 0 399.516 3.992 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246386292 891097946 /nfs/dbraw/zinc/09/79/46/891097946.db2.gz JMPVHIDHAOUZCA-HYVNUMGLSA-N 0 0 385.489 3.684 10 0 GHAERN Cc1csc(C2CCN(C(=O)C[C@H](C)NC(=O)C3CCCCC3)CC2)n1 ZINC000066659371 891125799 /nfs/dbraw/zinc/12/57/99/891125799.db2.gz YXEFXQQXGOFFFO-AWEZNQCLSA-N 0 0 377.554 3.633 10 0 GHAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000067048585 891140660 /nfs/dbraw/zinc/14/06/60/891140660.db2.gz DYZLLPOMHLKOGF-LBPRGKRZSA-N 0 0 398.315 3.586 10 0 GHAERN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048586 891140863 /nfs/dbraw/zinc/14/08/63/891140863.db2.gz DYZLLPOMHLKOGF-GFCCVEGCSA-N 0 0 398.315 3.586 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)CC2 ZINC000246534983 891284220 /nfs/dbraw/zinc/28/42/20/891284220.db2.gz VNWHRRGXEFLLQS-AYOQOUSVSA-N 0 0 379.928 3.687 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@H]2CCO[C@H]21 ZINC000246677903 891297589 /nfs/dbraw/zinc/29/75/89/891297589.db2.gz AXZWJUNEAKJLNN-KBRIMQKVSA-N 0 0 388.855 3.857 10 0 GHAERN CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000247116931 891371005 /nfs/dbraw/zinc/37/10/05/891371005.db2.gz FGPIOXGKJKYLSR-MOPGFXCFSA-N 0 0 394.924 3.655 10 0 GHAERN C[N@@H+]1CC[C@@H](NC(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000247978759 891404177 /nfs/dbraw/zinc/40/41/77/891404177.db2.gz GVGODZRLWYDFRQ-TZIWHRDSSA-N 0 0 379.435 3.585 10 0 GHAERN CC[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248644310 891450369 /nfs/dbraw/zinc/45/03/69/891450369.db2.gz ZQFWSLCYMHADOA-BPAFIMBUSA-N 0 0 375.488 3.887 10 0 GHAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000248636326 891450477 /nfs/dbraw/zinc/45/04/77/891450477.db2.gz KJRGYKXICVHRAE-FDFHNCONSA-N 0 0 396.462 3.548 10 0 GHAERN COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C[C@@H]2O ZINC000249272917 891503205 /nfs/dbraw/zinc/50/32/05/891503205.db2.gz JXKZGLKXTTWMBB-VBQJREDUSA-N 0 0 387.863 3.537 10 0 GHAERN COc1ccc(-c2ccncc2)cc1CN1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000249402222 891504684 /nfs/dbraw/zinc/50/46/84/891504684.db2.gz CGFNABVJMXUCHX-NHCUHLMSSA-N 0 0 394.471 3.675 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N[C@H](c3ccccc3)C3CCC3)c(=O)[nH]c21 ZINC000104421578 898146343 /nfs/dbraw/zinc/14/63/43/898146343.db2.gz LIHPWOWCKMLMRF-RJRNSMGGSA-N 0 0 390.487 3.976 10 0 GHAERN Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104912893 898170226 /nfs/dbraw/zinc/17/02/26/898170226.db2.gz JZAROXMHGDIDKL-SFHVURJKSA-N 0 0 396.512 3.917 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000104989724 898175452 /nfs/dbraw/zinc/17/54/52/898175452.db2.gz YXHMNXYSXOZRNR-UHFFFAOYSA-N 0 0 380.492 3.804 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(OCc3cccc(F)c3)cc2C)n1 ZINC000105035942 898182799 /nfs/dbraw/zinc/18/27/99/898182799.db2.gz WMJILSIOVCXZHE-UHFFFAOYSA-N 0 0 384.411 3.769 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N(CCC)CCc2ccccn2)cc1 ZINC000105136787 898196221 /nfs/dbraw/zinc/19/62/21/898196221.db2.gz ZWLWNEIRNUNDDM-UHFFFAOYSA-N 0 0 382.508 3.985 10 0 GHAERN CSc1ccccc1[C@H](C)NC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333017311 899895094 /nfs/dbraw/zinc/89/50/94/899895094.db2.gz CLZZIEBUPUZGML-XHSDSOJGSA-N 0 0 375.538 3.560 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000333032201 899905082 /nfs/dbraw/zinc/90/50/82/899905082.db2.gz CIZAACLARVDJFR-CYBMUJFWSA-N 0 0 378.398 3.722 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC[C@@H]1c1cccnc1 ZINC000333348998 902027871 /nfs/dbraw/zinc/02/78/71/902027871.db2.gz JHAUVLJHBUBSRY-WOJBJXKFSA-N 0 0 392.503 3.574 10 0 GHAERN Cc1nc2cc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)ccc2n1-c1ccccc1 ZINC000333687645 902271184 /nfs/dbraw/zinc/27/11/84/902271184.db2.gz AMRKZNFHNVQSHE-BJLQDIEVSA-N 0 0 375.472 3.567 10 0 GHAERN COc1ccc(-c2nc(CN3CCCC[C@H]3c3nc[nH]n3)cs2)c(OC)c1 ZINC000182683574 907250311 /nfs/dbraw/zinc/25/03/11/907250311.db2.gz MINIDASYZCNKAK-INIZCTEOSA-N 0 0 385.493 3.673 10 0 GHAERN Cc1cc2nc(C)c(CCC(=O)N3CCC[C@H]3c3csc(C)n3)c(C)n2n1 ZINC000187116448 908039946 /nfs/dbraw/zinc/03/99/46/908039946.db2.gz RMCMASLDMTYSMV-SFHVURJKSA-N 0 0 383.521 3.716 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000189387692 908314154 /nfs/dbraw/zinc/31/41/54/908314154.db2.gz ZPSQFFSSDRYIKD-MAUKXSAKSA-N 0 0 378.432 3.624 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(Cl)c2OC(C)C)C1 ZINC000189432534 908321374 /nfs/dbraw/zinc/32/13/74/908321374.db2.gz PDTKOHMQORGZJM-SWLSCSKDSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000189465672 908328025 /nfs/dbraw/zinc/32/80/25/908328025.db2.gz ZESLUCRCBQZVNQ-LSDHHAIUSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000190050865 908412700 /nfs/dbraw/zinc/41/27/00/908412700.db2.gz AGKXCEVJCSBCCP-RTBURBONSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000190056569 908414515 /nfs/dbraw/zinc/41/45/15/908414515.db2.gz JQAIGYVVKZFAQQ-UKRRQHHQSA-N 0 0 384.263 3.606 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000190057921 908416117 /nfs/dbraw/zinc/41/61/17/908416117.db2.gz ZPQPRJWLJHMTCT-GJZGRUSLSA-N 0 0 387.436 3.848 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 ZINC000190114170 908429583 /nfs/dbraw/zinc/42/95/83/908429583.db2.gz ZHHFGKPQZKQWMX-TZMCWYRMSA-N 0 0 384.358 3.699 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1CCCC[C@H]1c1nc[nH]n1 ZINC000192464513 908790880 /nfs/dbraw/zinc/79/08/80/908790880.db2.gz DJRZCGZFVJZXQL-HNNXBMFYSA-N 0 0 390.285 3.815 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)o1 ZINC000373950683 926585327 /nfs/dbraw/zinc/58/53/27/926585327.db2.gz VSGDBLSBCPWXSQ-NCCQIKRFSA-N 0 0 376.460 3.865 10 0 GHAERN CSc1ccsc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528622 1014585340 /nfs/dbraw/zinc/58/53/40/1014585340.db2.gz HKSXLNBITVJSMH-OAHLLOKOSA-N 0 0 378.494 3.832 10 0 GHAERN Cc1ccc(NC(=O)c2cccc(C(=O)OC(C)C)n2)c(Br)c1 ZINC000003108159 203985996 /nfs/dbraw/zinc/98/59/96/203985996.db2.gz RSHZXDVGYOUUCS-UHFFFAOYSA-N 0 0 377.238 3.970 10 0 GHAERN CC(C)NC(=O)C[C@H]1C(=O)N(Cc2ccccc2)[C@@H](C)c2nc3ccccc3n21 ZINC000004908963 204089699 /nfs/dbraw/zinc/08/96/99/204089699.db2.gz PFEBCWHNJZGVRH-JXFKEZNVSA-N 0 0 390.487 3.596 10 0 GHAERN CCCN(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(=O)C1CCCCC1 ZINC000004907005 204090357 /nfs/dbraw/zinc/09/03/57/204090357.db2.gz XQMHNMMBFVCJTE-HXUWFJFHSA-N 0 0 390.524 3.606 10 0 GHAERN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 ZINC000004971497 204098641 /nfs/dbraw/zinc/09/86/41/204098641.db2.gz AJRJXYUMOYRPNA-UHFFFAOYSA-N 0 0 396.512 3.517 10 0 GHAERN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)NC[C@H]1CCCO1 ZINC000005053142 204106948 /nfs/dbraw/zinc/10/69/48/204106948.db2.gz WLLIXQPUDXUSQX-YLJYHZDGSA-N 0 0 396.512 3.552 10 0 GHAERN CCOc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCC3)cc1 ZINC000006808751 204210829 /nfs/dbraw/zinc/21/08/29/204210829.db2.gz LDQIKCQWGXAOLH-UHFFFAOYSA-N 0 0 391.471 3.626 10 0 GHAERN CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccccc2Br)cc1 ZINC000007312458 204238517 /nfs/dbraw/zinc/23/85/17/204238517.db2.gz YKIICVXALZUWCD-LBPRGKRZSA-N 0 0 375.266 3.827 10 0 GHAERN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000011843340 204357026 /nfs/dbraw/zinc/35/70/26/204357026.db2.gz ZYUSYSXZRURRDZ-SFHVURJKSA-N 0 0 382.460 3.550 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)ccc1Br ZINC000010917115 204340296 /nfs/dbraw/zinc/34/02/96/204340296.db2.gz YDZPWMXKYUBPRE-UHFFFAOYSA-N 0 0 381.314 3.981 10 0 GHAERN CO[C@@H](C)c1cccc(-c2cnn(CC(=O)Nc3ccnn3CC3CC3)c2)c1 ZINC000023398860 204807613 /nfs/dbraw/zinc/80/76/13/204807613.db2.gz SETFMGNLGZTIBI-HNNXBMFYSA-N 0 0 379.464 3.503 10 0 GHAERN COc1ccc(OC)c2nc(Cl)c(CCN3C(=O)c4ccccc4C3=O)cc12 ZINC000026422672 204844070 /nfs/dbraw/zinc/84/40/70/204844070.db2.gz AMRWWCOJSFCHKD-UHFFFAOYSA-N 0 0 396.830 3.744 10 0 GHAERN CC(C)(C)c1cc(OCC(=O)[O-])nc(Nc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000073700233 205031517 /nfs/dbraw/zinc/03/15/17/205031517.db2.gz CNRNKKMPSDQDEP-UHFFFAOYSA-N 0 0 384.480 3.577 10 0 GHAERN COCCNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000039852238 205044244 /nfs/dbraw/zinc/04/42/44/205044244.db2.gz QKJALGOYIYZKOS-UHFFFAOYSA-N 0 0 395.406 3.996 10 0 GHAERN CCOC(=O)C[C@H]1c2cc(-c3ccccc3)ccc2OC(N)=C1C(=O)OCC ZINC000043123170 205081745 /nfs/dbraw/zinc/08/17/45/205081745.db2.gz SKRXDYLNZWOTRL-KRWDZBQOSA-N 0 0 381.428 3.516 10 0 GHAERN CCOc1ccc2nc(NC(=O)CCc3nc4ccccc4[nH]c3=O)sc2c1 ZINC000040839312 205072710 /nfs/dbraw/zinc/07/27/10/205072710.db2.gz VHUBBAFDERDCCI-UHFFFAOYSA-N 0 0 394.456 3.503 10 0 GHAERN CCCC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 ZINC000055393174 205149526 /nfs/dbraw/zinc/14/95/26/205149526.db2.gz QOVGKOWEJIXWOB-UHFFFAOYSA-N 0 0 380.488 3.903 10 0 GHAERN CCc1cccc(NC(=O)Cn2c(=O)cc(C)nc2Nc2cccc(F)c2)c1 ZINC000057506253 205159751 /nfs/dbraw/zinc/15/97/51/205159751.db2.gz MJAPBRGNEDOVCD-UHFFFAOYSA-N 0 0 380.423 3.636 10 0 GHAERN Cc1ccc(CNC(=O)[C@H]2COc3ccc(NC(=O)CC(C)C)cc3C2)cc1 ZINC000065082293 205209466 /nfs/dbraw/zinc/20/94/66/205209466.db2.gz RJHHGEBOBMVHPU-LJQANCHMSA-N 0 0 380.488 3.847 10 0 GHAERN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCC[C@@H]1C ZINC000064759229 205194216 /nfs/dbraw/zinc/19/42/16/205194216.db2.gz GVBBMYBNJZPPDI-INIZCTEOSA-N 0 0 393.491 3.608 10 0 GHAERN COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCCC[C@@H]2C)cc1 ZINC000064759094 205194241 /nfs/dbraw/zinc/19/42/41/205194241.db2.gz BKBNLBSCLBOLRD-INIZCTEOSA-N 0 0 393.491 3.608 10 0 GHAERN CC(=O)N1CCC(C(=O)N2CCc3cc(-c4csc(C5CC5)n4)ccc32)CC1 ZINC000065254910 205223856 /nfs/dbraw/zinc/22/38/56/205223856.db2.gz QYPUFBVOEGOMCF-UHFFFAOYSA-N 0 0 395.528 3.835 10 0 GHAERN CC(=O)N/C(=C/c1ccccc1)C(=O)/N=c1/sccn1Cc1ccc(C)cc1 ZINC000012739333 205878788 /nfs/dbraw/zinc/87/87/88/205878788.db2.gz HDMPFNVVRHJBQC-NFVLHAOASA-N 0 0 391.496 3.511 10 0 GHAERN O=C(Cc1cccs1)Nc1cnc2[nH]cc(C(=O)NCc3cccs3)c2c1 ZINC000211862196 205924674 /nfs/dbraw/zinc/92/46/74/205924674.db2.gz URGNBVKJKPARQM-UHFFFAOYSA-N 0 0 396.497 3.797 10 0 GHAERN COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1[C@@H](C(=O)OC)c1ccccc1 ZINC000503990669 533369157 /nfs/dbraw/zinc/36/91/57/533369157.db2.gz OMTBLFCKFVDJFM-NJDAHSKKSA-N 0 0 381.472 3.712 10 0 GHAERN Cc1ccc(CNC(=O)C2CCN(c3ncc(-c4ccc(F)cc4)cn3)CC2)o1 ZINC000064668411 136157441 /nfs/dbraw/zinc/15/74/41/136157441.db2.gz GFRMEMGBCGDWAV-UHFFFAOYSA-N 0 0 394.450 3.717 10 0 GHAERN CN1C(=O)COc2ccc(NC(=O)N3CC[C@H](c4ccccc4Cl)C3)cc21 ZINC000096166643 136184879 /nfs/dbraw/zinc/18/48/79/136184879.db2.gz BTBRDDKVRXSOKC-ZDUSSCGKSA-N 0 0 385.851 3.717 10 0 GHAERN CCc1nc2cc(N3CCC(C(=O)NC4CCCCC4)CC3)cnc2nc1CC ZINC000065227513 536157191 /nfs/dbraw/zinc/15/71/91/536157191.db2.gz MZTLJJWASBPXRE-UHFFFAOYSA-N 0 0 395.551 3.815 10 0 GHAERN CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1 ZINC000028120141 570451065 /nfs/dbraw/zinc/45/10/65/570451065.db2.gz NEQSWPCDHDQINX-INIZCTEOSA-N 0 0 378.519 3.849 10 0 GHAERN CCOC(=O)C1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H](C1)C21SCCS1 ZINC000013302946 570753164 /nfs/dbraw/zinc/75/31/64/570753164.db2.gz GCCVUKSBWFABHH-ALOPSCKCSA-N 0 0 391.558 3.524 10 0 GHAERN COc1ccc(-c2cnc3ncnn3c2N2CC[C@H]3CCCC[C@@H]3C2)cc1OC ZINC000023332569 570796113 /nfs/dbraw/zinc/79/61/13/570796113.db2.gz WDNJTXPJUDJIPG-NVXWUHKLSA-N 0 0 393.491 3.825 10 0 GHAERN O=C(Nc1ccccc1)c1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000033113981 570812714 /nfs/dbraw/zinc/81/27/14/570812714.db2.gz HSRCRKHFTQPENQ-UHFFFAOYSA-N 0 0 398.513 3.872 10 0 GHAERN COc1ccc(N2C(=O)CN(C(=O)c3sccc3C)CC23CCCC3)cc1 ZINC000014956328 570866042 /nfs/dbraw/zinc/86/60/42/570866042.db2.gz WKYZURWNTYVNNR-UHFFFAOYSA-N 0 0 384.501 3.867 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1c1ccn(COCC[Si](C)(C)C)n1 ZINC000675058478 570903288 /nfs/dbraw/zinc/90/32/88/570903288.db2.gz HVZCUEZQJWRPMW-HOCLYGCPSA-N 0 0 383.565 3.550 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3sccc3OC(F)F)cc2)n1 ZINC000104325895 837408368 /nfs/dbraw/zinc/40/83/68/837408368.db2.gz QUOGEWIRIOPSGS-UHFFFAOYSA-N 0 0 377.372 3.661 10 0 GHAERN COc1ccc(NC(=O)[C@H](C)N2CCC(c3nc(C)cs3)CC2)c(OC)c1 ZINC000156677349 834498070 /nfs/dbraw/zinc/49/80/70/834498070.db2.gz JAOXRXXVFLADSL-AWEZNQCLSA-N 0 0 389.521 3.675 10 0 GHAERN COc1ccc(NC(=O)[C@H](C)N2CCC(c3nc(C)cs3)CC2)cc1OC ZINC000156708662 834521418 /nfs/dbraw/zinc/52/14/18/834521418.db2.gz QCJTUXNGVJZNAF-AWEZNQCLSA-N 0 0 389.521 3.675 10 0 GHAERN Cc1csc(C2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)n1 ZINC000156770236 834548035 /nfs/dbraw/zinc/54/80/35/834548035.db2.gz JWZNAEADSGJMKW-UHFFFAOYSA-N 0 0 386.546 3.618 10 0 GHAERN CC(C)(C)NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000003374356 834635857 /nfs/dbraw/zinc/63/58/57/834635857.db2.gz OIFXLZKQMKVDRH-UHFFFAOYSA-N 0 0 394.928 3.852 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246782479 834728930 /nfs/dbraw/zinc/72/89/30/834728930.db2.gz RVRQQGWMBMQQIT-SWLSCSKDSA-N 0 0 397.846 3.675 10 0 GHAERN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2cncnc2C1 ZINC000329315500 834835248 /nfs/dbraw/zinc/83/52/48/834835248.db2.gz BAADFXGORRUYGR-JKSUJKDBSA-N 0 0 376.485 3.721 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)C12CCCC2 ZINC000246899043 835123956 /nfs/dbraw/zinc/12/39/56/835123956.db2.gz GXZJBBPDAWGDKS-FSPWUOQZSA-N 0 0 388.533 3.929 10 0 GHAERN O=C(Nc1ccccc1SC(F)(F)F)N1CCCN(c2cccnn2)CC1 ZINC000158431452 835374169 /nfs/dbraw/zinc/37/41/69/835374169.db2.gz JVBBHFLBYSMIML-UHFFFAOYSA-N 0 0 397.426 3.833 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(-n4cncn4)cc3)C2)n1 ZINC000329611159 835377816 /nfs/dbraw/zinc/37/78/16/835377816.db2.gz DFMRBUIOIONVIV-INIZCTEOSA-N 0 0 381.505 3.867 10 0 GHAERN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC(n2cncn2)CC1 ZINC000101601646 835380684 /nfs/dbraw/zinc/38/06/84/835380684.db2.gz ZFPFQPFCCSEPBK-UHFFFAOYSA-N 0 0 388.431 3.955 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)c3cc(C)nc4c3c(C)nn4C)C2)sc1C ZINC000329634720 835480586 /nfs/dbraw/zinc/48/05/86/835480586.db2.gz XHMNVPVHGCAFII-HNNXBMFYSA-N 0 0 383.521 3.678 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cc1 ZINC000329677019 835654274 /nfs/dbraw/zinc/65/42/74/835654274.db2.gz PVKDBACYPNNOKA-PSHVLCQKSA-N 0 0 383.492 3.939 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1nccs1 ZINC000159076126 835709052 /nfs/dbraw/zinc/70/90/52/835709052.db2.gz GBKCEBZXXKEBDB-IKGGRYGDSA-N 0 0 387.505 3.583 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@@H]1C ZINC000187894527 835749616 /nfs/dbraw/zinc/74/96/16/835749616.db2.gz PHLPLFCBLNKYBQ-GWCFXTLKSA-N 0 0 394.265 3.775 10 0 GHAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246999289 836084130 /nfs/dbraw/zinc/08/41/30/836084130.db2.gz KOBVROCNZSJOOP-NHYWBVRUSA-N 0 0 397.846 3.675 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCN3CCCC[C@H]3C2)s1)c1ccccc1 ZINC000246321624 836531482 /nfs/dbraw/zinc/53/14/82/836531482.db2.gz IINLUJZIWFCBOV-IRXDYDNUSA-N 0 0 385.537 3.782 10 0 GHAERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122478501 836850029 /nfs/dbraw/zinc/85/00/29/836850029.db2.gz BYTDAUJGQHATSB-FOIQADDNSA-N 0 0 384.505 3.787 10 0 GHAERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000122478998 836850278 /nfs/dbraw/zinc/85/02/78/836850278.db2.gz BYTDAUJGQHATSB-MGPUTAFESA-N 0 0 384.505 3.787 10 0 GHAERN O=C(c1sccc1-n1cccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006750625 837349747 /nfs/dbraw/zinc/34/97/47/837349747.db2.gz WWSYNTJUOMMVNO-UHFFFAOYSA-N 0 0 385.533 3.794 10 0 GHAERN COC(=O)[C@]1(C)CN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C[C@H]1C ZINC000407967360 838283226 /nfs/dbraw/zinc/28/32/26/838283226.db2.gz QFZDKVBRVDVVMK-JLTOFOAXSA-N 0 0 388.464 3.781 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCC(c2nccs2)CC1 ZINC000407991200 838442431 /nfs/dbraw/zinc/44/24/31/838442431.db2.gz TWUGQROTRPEMQS-UHFFFAOYSA-N 0 0 379.869 3.979 10 0 GHAERN CCc1ccccc1N1C[C@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O ZINC000303655087 839084884 /nfs/dbraw/zinc/08/48/84/839084884.db2.gz VCOVNUPUHFVHIK-AEFFLSMTSA-N 0 0 383.517 3.812 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117034029 839538754 /nfs/dbraw/zinc/53/87/54/839538754.db2.gz OHITVMPLMNSZOU-HKUYNNGSSA-N 0 0 399.539 3.932 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)s3)C2)n1 ZINC000117032334 839538910 /nfs/dbraw/zinc/53/89/10/839538910.db2.gz FHZDTEDBPIAORZ-RISCZKNCSA-N 0 0 381.933 3.793 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2cccnn2)CC1)c1ccc2c(c1)CCCC2 ZINC000153039672 840277353 /nfs/dbraw/zinc/27/73/53/840277353.db2.gz IICFAIMNOMFAFZ-MRXNPFEDSA-N 0 0 379.508 3.703 10 0 GHAERN Cc1nc(CCNC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)c(C)o1 ZINC000332732632 844526574 /nfs/dbraw/zinc/52/65/74/844526574.db2.gz NCLKTKLWXOSSOH-VQIMIIECSA-N 0 0 389.293 3.617 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121052360 840427405 /nfs/dbraw/zinc/42/74/05/840427405.db2.gz DJSFVPDCMDWLPR-MZXFEWSRSA-N 0 0 392.368 3.903 10 0 GHAERN COC(=O)/C=C\c1ccc(OCc2nnc(-c3ccccc3)s2)c(OC)c1 ZINC000588471676 844560298 /nfs/dbraw/zinc/56/02/98/844560298.db2.gz YSBHZXKEBCMTFQ-LUAWRHEFSA-N 0 0 382.441 3.979 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000109081154 840688480 /nfs/dbraw/zinc/68/84/80/840688480.db2.gz HVQZKGRRBKCVRP-MSOLQXFVSA-N 0 0 390.474 3.710 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)cc1 ZINC000332818791 844577812 /nfs/dbraw/zinc/57/78/12/844577812.db2.gz WHIOUFYGIUPNNO-OXQOHEQNSA-N 0 0 397.523 3.510 10 0 GHAERN C[C@]1(NC(=O)N[C@H]2CCc3cc(Br)ccc32)CCO[C@@H]1C1CC1 ZINC000332860290 844596868 /nfs/dbraw/zinc/59/68/68/844596868.db2.gz GICBTAHUWVQHQX-JZXOWHBKSA-N 0 0 379.298 3.693 10 0 GHAERN O=C(NCc1ccc(N2CCCCCC2)nc1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000332889101 844609008 /nfs/dbraw/zinc/60/90/08/844609008.db2.gz MCSGWBPUSVOOKR-HYBUGGRVSA-N 0 0 391.515 3.819 10 0 GHAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408149425 841176984 /nfs/dbraw/zinc/17/69/84/841176984.db2.gz QGZLMKGTZKRFDD-XYPHTWIQSA-N 0 0 399.304 3.813 10 0 GHAERN O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408150012 841185830 /nfs/dbraw/zinc/18/58/30/841185830.db2.gz TXKYXPKOQYEQOL-BBWFWOEESA-N 0 0 381.314 3.674 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3c3ccccc3C)C2)nn1 ZINC000332871517 844616046 /nfs/dbraw/zinc/61/60/46/844616046.db2.gz CNHIBHAAFRKEIB-UYAOXDASSA-N 0 0 379.508 3.609 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)C2)n1 ZINC000332910101 844624295 /nfs/dbraw/zinc/62/42/95/844624295.db2.gz XWTIIXCALDPBAU-WIYYLYMNSA-N 0 0 381.524 3.776 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3ccccc3)C3CCC3)C2)nn1 ZINC000332901057 844634495 /nfs/dbraw/zinc/63/44/95/844634495.db2.gz QEGBINIFKYKLLS-TZIWHRDSSA-N 0 0 379.508 3.594 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330241548 841461753 /nfs/dbraw/zinc/46/17/53/841461753.db2.gz JAWPEGUCCJXWQO-VQIMIIECSA-N 0 0 391.537 3.658 10 0 GHAERN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1 ZINC000330243221 841541402 /nfs/dbraw/zinc/54/14/02/841541402.db2.gz JPXXPTATEUYBMM-LAUBAEHRSA-N 0 0 398.528 3.916 10 0 GHAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)n1 ZINC000329284111 861247058 /nfs/dbraw/zinc/24/70/58/861247058.db2.gz FZBTVSNQMBQUTL-HZVKZAKPSA-N 0 0 388.556 3.612 10 0 GHAERN Cc1nc(CCC(=O)NC/C=C\CNC(=O)OC(C)(C)C)oc1-c1ccccc1 ZINC000588433726 842418330 /nfs/dbraw/zinc/41/83/30/842418330.db2.gz DRRHQIRVBNTSEH-HJWRWDBZSA-N 0 0 399.491 3.780 10 0 GHAERN CC[C@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)C[C@@]2(CCOC2)O1 ZINC000408326107 842502230 /nfs/dbraw/zinc/50/22/30/842502230.db2.gz IXFIZAJFLYVXFI-BBATYDOGSA-N 0 0 383.275 3.885 10 0 GHAERN Cc1ccc(Cl)c(O[C@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000588434620 842511628 /nfs/dbraw/zinc/51/16/28/842511628.db2.gz QMZBIURLAYQBTP-LMVHVUTASA-N 0 0 382.888 3.613 10 0 GHAERN Cc1cc(C)n2nc(CC(=O)N3CC4(CCCC4)c4cccc(Cl)c43)nc2n1 ZINC000408355337 842765662 /nfs/dbraw/zinc/76/56/62/842765662.db2.gz ROGHOSQUXCZLPJ-UHFFFAOYSA-N 0 0 395.894 3.796 10 0 GHAERN CN(C)c1nnc(-c2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cc2)o1 ZINC000162395025 843238469 /nfs/dbraw/zinc/23/84/69/843238469.db2.gz XZVRXMHGAUIMAI-AWEZNQCLSA-N 0 0 398.492 3.671 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000112307321 843352088 /nfs/dbraw/zinc/35/20/88/843352088.db2.gz WCWMVGQXCYGKII-CVEARBPZSA-N 0 0 388.920 3.880 10 0 GHAERN Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000121780912 843486458 /nfs/dbraw/zinc/48/64/58/843486458.db2.gz QFEAAJILRSQLER-HTAPYJJXSA-N 0 0 387.524 3.682 10 0 GHAERN COc1ccc(CN(C(=O)/C=C\c2ccnc(Cl)c2)[C@H](CO)C(C)C)cc1 ZINC000588457702 843535980 /nfs/dbraw/zinc/53/59/80/843535980.db2.gz SXXZGLUTEINECM-WMHRWZGDSA-N 0 0 388.895 3.803 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H]3CCC[C@H]32)cc1Cl ZINC000330295831 843560324 /nfs/dbraw/zinc/56/03/24/843560324.db2.gz FWJGPCLVZYPZGE-XJKSGUPXSA-N 0 0 376.913 3.722 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc([C@H]4C[C@@H](C)CC(C)(C)C4)n3)ccn2)CC1 ZINC000329448162 861442521 /nfs/dbraw/zinc/44/25/21/861442521.db2.gz BWWQVTVONZYHNP-QAPCUYQASA-N 0 0 397.523 3.730 10 0 GHAERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@@H]1CCCC[C@@H]1CO ZINC000332918427 844651356 /nfs/dbraw/zinc/65/13/56/844651356.db2.gz FYIBVLWLYMLBPD-KZNAEPCWSA-N 0 0 399.560 3.766 10 0 GHAERN O=C([C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CCc2cncnc2C1 ZINC000329474560 861496298 /nfs/dbraw/zinc/49/62/98/861496298.db2.gz ZZOAUIYYQHLVDT-YJBOKZPZSA-N 0 0 392.286 3.836 10 0 GHAERN CCCN(CCc1cccs1)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588479436 844876526 /nfs/dbraw/zinc/87/65/26/844876526.db2.gz VXEWEUFAGGXVEB-FLIBITNWSA-N 0 0 392.546 3.614 10 0 GHAERN CC[C@@](C)(NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc(C)cs1 ZINC000150735234 844986156 /nfs/dbraw/zinc/98/61/56/844986156.db2.gz VWZRPGLAPFXRRJ-RDTXWAMCSA-N 0 0 375.519 3.696 10 0 GHAERN O=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332963843 845002548 /nfs/dbraw/zinc/00/25/48/845002548.db2.gz KDGVUDYCNBFUGW-AVRDEDQJSA-N 0 0 399.560 3.765 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3nnc(C(F)(F)F)s3)C2)cc1 ZINC000151639540 845370803 /nfs/dbraw/zinc/37/08/03/845370803.db2.gz URENOVWBZPXEHP-ONGXEEELSA-N 0 0 386.399 3.975 10 0 GHAERN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151705339 845546592 /nfs/dbraw/zinc/54/65/92/845546592.db2.gz QOLBEFJGVNXNJN-UHFFFAOYSA-N 0 0 377.366 3.591 10 0 GHAERN C[C@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000266760415 861621249 /nfs/dbraw/zinc/62/12/49/861621249.db2.gz IDVPJHTWLAYFOR-GTESCJQGSA-N 0 0 394.512 3.510 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)/C=C/c2ccccc2OC(F)F)C1 ZINC000119622142 846130967 /nfs/dbraw/zinc/13/09/67/846130967.db2.gz DILVRGPMPAIIIQ-XVJNWHFHSA-N 0 0 375.419 3.516 10 0 GHAERN C[C@@H](CCS(C)(=O)=O)OC(=O)/C=C(\c1ccc(Cl)cc1)C(F)(F)F ZINC000588510707 846793043 /nfs/dbraw/zinc/79/30/43/846793043.db2.gz RZENOFSQADTKMU-YWEFTTLKSA-N 0 0 384.803 3.652 10 0 GHAERN CC(C)(C)c1cccc(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)c1O ZINC000588513129 846900025 /nfs/dbraw/zinc/90/00/25/846900025.db2.gz ISNSKZUMNMIWLV-RAXLEYEMSA-N 0 0 388.489 3.713 10 0 GHAERN O=C(C=Cc1ccnc2ccccc12)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000588538130 848016173 /nfs/dbraw/zinc/01/61/73/848016173.db2.gz NGIRUMGMIFIDHV-HJWRWDBZSA-N 0 0 391.402 3.847 10 0 GHAERN Cc1nc(C(C)(C)NC(=O)NC2CCN(c3cccc(C)n3)CC2)sc1C ZINC000153269728 848325457 /nfs/dbraw/zinc/32/54/57/848325457.db2.gz XRRZAXHLQLCRHV-UHFFFAOYSA-N 0 0 387.553 3.667 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CCO2)o1 ZINC000153539210 848622826 /nfs/dbraw/zinc/62/28/26/848622826.db2.gz OSSZXUZPCRBNCT-GOSISDBHSA-N 0 0 385.464 3.722 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153616376 848764826 /nfs/dbraw/zinc/76/48/26/848764826.db2.gz LGDHCJMWRVFTKQ-QGZVFWFLSA-N 0 0 377.828 3.805 10 0 GHAERN COC(=O)/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)CN1CCC(=O)CC1 ZINC000588566170 848901888 /nfs/dbraw/zinc/90/18/88/848901888.db2.gz JXDCPRKQZDYCEY-WUXMJOGZSA-N 0 0 375.774 3.580 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CCO2)o1 ZINC000154031953 849162040 /nfs/dbraw/zinc/16/20/40/849162040.db2.gz JJHPVJPGKMQESV-LJQANCHMSA-N 0 0 385.464 3.640 10 0 GHAERN Cc1cc(F)cc2c(O)c(C(=O)N3CCC(Nc4ccccc4F)CC3)cnc12 ZINC000154691423 849351044 /nfs/dbraw/zinc/35/10/44/849351044.db2.gz NCHIECOQGBSZEX-UHFFFAOYSA-N 0 0 397.425 3.831 10 0 GHAERN COc1cccc(/C=C/C(=O)N(C)[C@H]2CCCc3c2cnn3C)c1OC(F)F ZINC000155002282 849429819 /nfs/dbraw/zinc/42/98/19/849429819.db2.gz OVQVGFLBOPKUKF-NKSUMMKUSA-N 0 0 391.418 3.579 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC2CCN(c3cccs3)CC2)no1 ZINC000155853014 849679399 /nfs/dbraw/zinc/67/93/99/849679399.db2.gz UVNKAWCSMAXKOD-HNNXBMFYSA-N 0 0 389.525 3.770 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(F)cc1F ZINC000155930034 849701966 /nfs/dbraw/zinc/70/19/66/849701966.db2.gz OMWFLPYGIQEAMK-QGZVFWFLSA-N 0 0 377.439 3.690 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155943127 849710317 /nfs/dbraw/zinc/71/03/17/849710317.db2.gz WSBUEEWATXYPSJ-GOEBONIOSA-N 0 0 393.553 3.527 10 0 GHAERN CCC(CC)n1ncc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000156189820 849811327 /nfs/dbraw/zinc/81/13/27/849811327.db2.gz NTRDQWOFKOZCMG-UHFFFAOYSA-N 0 0 388.556 3.807 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)nc1 ZINC000156335007 849873650 /nfs/dbraw/zinc/87/36/50/849873650.db2.gz BEFFOWTXCGPNCA-UHFFFAOYSA-N 0 0 381.524 3.863 10 0 GHAERN CC(C)(C)NC(=O)CN1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000101566973 851666740 /nfs/dbraw/zinc/66/67/40/851666740.db2.gz HWGLPMLVHJUGFU-OAHLLOKOSA-N 0 0 386.323 3.701 10 0 GHAERN CCN(Cc1c(F)cccc1F)C(=O)NCc1c(OC)cc(OC)cc1OC ZINC000101607325 851726931 /nfs/dbraw/zinc/72/69/31/851726931.db2.gz ZSUUDLTZAKYSFX-UHFFFAOYSA-N 0 0 394.418 3.722 10 0 GHAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)C[C@@H]1CCCO1 ZINC000101691234 851836013 /nfs/dbraw/zinc/83/60/13/851836013.db2.gz UVXYESFRUCYULQ-INIZCTEOSA-N 0 0 392.297 3.503 10 0 GHAERN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3cc(Br)ccc32)c2nccn21 ZINC000333874891 851887616 /nfs/dbraw/zinc/88/76/16/851887616.db2.gz VHCKKCXNPPKBIN-WKPIXPDZSA-N 0 0 375.270 3.638 10 0 GHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000101843150 851951419 /nfs/dbraw/zinc/95/14/19/851951419.db2.gz LKUXADOCACCLTP-MRXNPFEDSA-N 0 0 391.406 3.553 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3nnn(-c4ccc(C)cc4)c3C)C2)n1 ZINC000329772978 862313769 /nfs/dbraw/zinc/31/37/69/862313769.db2.gz LCOMZYREZKDIKF-QGZVFWFLSA-N 0 0 395.532 3.598 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000333722427 852060427 /nfs/dbraw/zinc/06/04/27/852060427.db2.gz VNGHKJOSRFJEIB-UHFFFAOYSA-N 0 0 393.491 3.545 10 0 GHAERN O=C(c1nn(-c2cccc(F)c2)c2c1CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333704241 852745808 /nfs/dbraw/zinc/74/58/08/852745808.db2.gz HNKLRUNBMVLYKK-HJPURHCSSA-N 0 0 397.494 3.657 10 0 GHAERN C[C@@]12CN(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333970225 853289051 /nfs/dbraw/zinc/28/90/51/853289051.db2.gz VKOCOQWQWYIFBR-QCWPFBFRSA-N 0 0 399.510 3.508 10 0 GHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164680703 853701297 /nfs/dbraw/zinc/70/12/97/853701297.db2.gz UDXGKJRJTFIMNZ-MAUKXSAKSA-N 0 0 383.879 3.504 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCSC[C@H]1c1nccs1 ZINC000334063193 853845521 /nfs/dbraw/zinc/84/55/21/853845521.db2.gz BXYHEVVGLVSTGR-RDBSUJKOSA-N 0 0 395.575 3.924 10 0 GHAERN C[C@@H]1CCCN(c2cc(NC[C@H]3CCc4nc(C(F)(F)F)cn4C3)ncn2)C1 ZINC000330049304 862531020 /nfs/dbraw/zinc/53/10/20/862531020.db2.gz KQQFHDKEDQRKGJ-ZIAGYGMSSA-N 0 0 394.445 3.603 10 0 GHAERN COc1ccccc1C1(CNC(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000157471819 854119921 /nfs/dbraw/zinc/11/99/21/854119921.db2.gz ORKIWGZXRFJMJI-UHFFFAOYSA-N 0 0 382.508 3.819 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000330052339 862536180 /nfs/dbraw/zinc/53/61/80/862536180.db2.gz OXISSNOBOAJPHV-CEWLAPEOSA-N 0 0 391.471 3.783 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@@H](n3cccn3)C2)cc1 ZINC000328676715 854505342 /nfs/dbraw/zinc/50/53/42/854505342.db2.gz AFPCFVWPQZVBTQ-YLJYHZDGSA-N 0 0 395.507 3.767 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328736046 854520811 /nfs/dbraw/zinc/52/08/11/854520811.db2.gz ZJCAMLIAQODBBW-DYVMYPEFSA-N 0 0 395.478 3.845 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328736053 854521052 /nfs/dbraw/zinc/52/10/52/854521052.db2.gz ZJCAMLIAQODBBW-YCMMZOLNSA-N 0 0 395.478 3.845 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[nH]1 ZINC000328760810 854531764 /nfs/dbraw/zinc/53/17/64/854531764.db2.gz XNCMFOCHNCNYNP-LZWOXQAQSA-N 0 0 378.398 3.989 10 0 GHAERN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccnn3C(C)C)CC2)c1 ZINC000328915122 854620652 /nfs/dbraw/zinc/62/06/52/854620652.db2.gz JJHPFQRBYBMPLS-IFMALSPDSA-N 0 0 396.535 3.589 10 0 GHAERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000124599169 854630549 /nfs/dbraw/zinc/63/05/49/854630549.db2.gz IKHCZENTLYCBDW-HZUJVAHNSA-N 0 0 392.471 3.542 10 0 GHAERN Cc1sc2nc(CN3CCC[C@@H]3c3nc4c(n3C)CCCC4)nc(N)c2c1C ZINC000328981677 854640652 /nfs/dbraw/zinc/64/06/52/854640652.db2.gz YGYFXIOQKLMOKM-MRXNPFEDSA-N 0 0 396.564 3.840 10 0 GHAERN CCn1cnnc1[C@H]1CCCN(CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000328991067 854643207 /nfs/dbraw/zinc/64/32/07/854643207.db2.gz IGZFJVDLGSZDPE-IBGZPJMESA-N 0 0 395.551 3.843 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@@H]3C(C)C)n2)C1 ZINC000330126021 862595602 /nfs/dbraw/zinc/59/56/02/862595602.db2.gz IPAWIQBCHWPIQZ-DBXWQHBBSA-N 0 0 398.555 3.693 10 0 GHAERN O=C(NCCc1ccccc1)c1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000105606268 855125254 /nfs/dbraw/zinc/12/52/54/855125254.db2.gz HWGDXZNPUYCNSD-UHFFFAOYSA-N 0 0 388.427 3.914 10 0 GHAERN COc1ccc([C@H](C)NC(=O)Cn2c(CSC)nc3ccccc32)c(OC)c1 ZINC000105912761 855155017 /nfs/dbraw/zinc/15/50/17/855155017.db2.gz ZRAPWQQENQUWPI-AWEZNQCLSA-N 0 0 399.516 3.794 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000190086523 855415913 /nfs/dbraw/zinc/41/59/13/855415913.db2.gz NVQUGQWCEVMWDO-VQIMIIECSA-N 0 0 387.443 3.955 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2F)CC1)NC1C2CC3CC(C2)CC1C3 ZINC000193231339 855876741 /nfs/dbraw/zinc/87/67/41/855876741.db2.gz QAFKLINYIVXHJT-UHFFFAOYSA-N 0 0 399.510 3.554 10 0 GHAERN COc1cc(OC)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1Cl ZINC000165808903 856101022 /nfs/dbraw/zinc/10/10/22/856101022.db2.gz VAVRVRXTWAZYFB-KRWDZBQOSA-N 0 0 380.828 3.864 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC=C(c3ccccc3)CC2)nn1-c1ccccc1F ZINC000031110330 856143777 /nfs/dbraw/zinc/14/37/77/856143777.db2.gz XFXIUCXQDWSPGP-UHFFFAOYSA-N 0 0 389.430 3.610 10 0 GHAERN COc1ccc(C)cc1NC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000185684226 856419372 /nfs/dbraw/zinc/41/93/72/856419372.db2.gz FFEXXUNMHIIIEA-UHFFFAOYSA-N 0 0 383.496 3.580 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000172226171 856465102 /nfs/dbraw/zinc/46/51/02/856465102.db2.gz WJANPVRDJTYGQQ-HOTGVXAUSA-N 0 0 387.505 3.955 10 0 GHAERN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(-c2ccccc2)cs1 ZINC000048534301 856467448 /nfs/dbraw/zinc/46/74/48/856467448.db2.gz CCXWTNOCBNZXOM-UHFFFAOYSA-N 0 0 383.469 3.996 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c12 ZINC000046489586 856862679 /nfs/dbraw/zinc/86/26/79/856862679.db2.gz FTHRNHNTITZORH-RTBURBONSA-N 0 0 377.444 3.982 10 0 GHAERN CC(C)(C)C(=O)NCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217555 856994826 /nfs/dbraw/zinc/99/48/26/856994826.db2.gz HLLZJKHMYCZMOE-GOSISDBHSA-N 0 0 396.535 3.725 10 0 GHAERN CCOc1ccccc1CCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000061546941 857528670 /nfs/dbraw/zinc/52/86/70/857528670.db2.gz LNGQDNCCGUJIFS-UHFFFAOYSA-N 0 0 386.536 3.659 10 0 GHAERN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000061546913 857528773 /nfs/dbraw/zinc/52/87/73/857528773.db2.gz NXTJBBYMVLWRKF-UHFFFAOYSA-N 0 0 398.425 3.840 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000156691901 857808439 /nfs/dbraw/zinc/80/84/39/857808439.db2.gz JHGWRVBOEYHFKE-ZBFHGGJFSA-N 0 0 385.512 3.631 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000172555951 858234258 /nfs/dbraw/zinc/23/42/58/858234258.db2.gz PTFSWPORRGAJAR-UYAOXDASSA-N 0 0 381.524 3.947 10 0 GHAERN C[C@@H]1CCCN(c2cc(N3CCC[C@@H]3c3nc4c(n3C)CCCC4)ncn2)C1 ZINC000330346330 863030603 /nfs/dbraw/zinc/03/06/03/863030603.db2.gz GJROYXAJOOGXFL-VQIMIIECSA-N 0 0 380.540 3.667 10 0 GHAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129977231 858511470 /nfs/dbraw/zinc/51/14/70/858511470.db2.gz SZYQVDTXDSQMHM-MSOLQXFVSA-N 0 0 385.508 3.522 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)CC2 ZINC000133586364 858814191 /nfs/dbraw/zinc/81/41/91/858814191.db2.gz DRQMKGTYKDROQB-BPLDGKMQSA-N 0 0 392.425 3.655 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 ZINC000133915794 858822261 /nfs/dbraw/zinc/82/22/61/858822261.db2.gz MBGCFUFHKUKYJQ-QGZVFWFLSA-N 0 0 386.927 3.998 10 0 GHAERN O=C(CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1F ZINC000102401011 860267006 /nfs/dbraw/zinc/26/70/06/860267006.db2.gz OGEOEDNMZFPKIF-OAHLLOKOSA-N 0 0 398.413 3.833 10 0 GHAERN C[C@@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)c(F)c1 ZINC000172339440 860433394 /nfs/dbraw/zinc/43/33/94/860433394.db2.gz SDYCVWFYCCBGST-CYBMUJFWSA-N 0 0 386.402 3.699 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000172352896 860433407 /nfs/dbraw/zinc/43/34/07/860433407.db2.gz RBCQYXCTYAVLCV-LPHOPBHVSA-N 0 0 382.435 3.954 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000172520337 860434077 /nfs/dbraw/zinc/43/40/77/860434077.db2.gz JMPAOSXAQCNSKE-SJLPKXTDSA-N 0 0 387.915 3.820 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 ZINC000173069373 860435709 /nfs/dbraw/zinc/43/57/09/860435709.db2.gz ZRUWCMUPVKAPAQ-INIZCTEOSA-N 0 0 386.517 3.950 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000173075402 860436161 /nfs/dbraw/zinc/43/61/61/860436161.db2.gz RIUMOGALFMDTLU-DOTOQJQBSA-N 0 0 377.554 3.633 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3cccnc3N3CCCCC3)n2)c1 ZINC000102910878 860899376 /nfs/dbraw/zinc/89/93/76/860899376.db2.gz BRLMJRDRKVTCCW-UHFFFAOYSA-N 0 0 395.488 3.851 10 0 GHAERN CCCCc1noc(C[S@@](=O)Cc2ncc(-c3ccc(OC)cc3)o2)n1 ZINC000102946900 860912910 /nfs/dbraw/zinc/91/29/10/860912910.db2.gz SBPKPOBRRIINBV-AREMUKBSSA-N 0 0 375.450 3.525 10 0 GHAERN CCCCc1noc(C[S@](=O)Cc2ncc(-c3ccc(OC)cc3)o2)n1 ZINC000102946901 860913182 /nfs/dbraw/zinc/91/31/82/860913182.db2.gz SBPKPOBRRIINBV-SANMLTNESA-N 0 0 375.450 3.525 10 0 GHAERN COc1ccc(Br)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000164751268 861172545 /nfs/dbraw/zinc/17/25/45/861172545.db2.gz WZWUIXAEQFSZDA-SJKOYZFVSA-N 0 0 383.286 3.617 10 0 GHAERN O=C(CNC(=O)NC1CCCCC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151712714 863924534 /nfs/dbraw/zinc/92/45/34/863924534.db2.gz BLAGQKIFWHRIAZ-SFHVURJKSA-N 0 0 385.508 3.571 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)NC(C)C)c3)c21 ZINC000103128512 863926266 /nfs/dbraw/zinc/92/62/66/863926266.db2.gz ZGLXNRQYPKYFAW-UHFFFAOYSA-N 0 0 378.476 3.979 10 0 GHAERN O=C(Nc1ccccc1OC1CCCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103763924 864085283 /nfs/dbraw/zinc/08/52/83/864085283.db2.gz ONNXBPRMLMINBD-UHFFFAOYSA-N 0 0 383.839 3.889 10 0 GHAERN C[C@@H]1SCCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)[C@H]1C ZINC000128867517 864501162 /nfs/dbraw/zinc/50/11/62/864501162.db2.gz RXBXTGQVIXYZRO-UWVGGRQHSA-N 0 0 386.308 3.932 10 0 GHAERN CCOc1ccc(CC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000104785919 864640586 /nfs/dbraw/zinc/64/05/86/864640586.db2.gz KWMQCNVLAGRFRM-UHFFFAOYSA-N 0 0 378.925 3.687 10 0 GHAERN COCCOc1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1F ZINC000105017918 864792398 /nfs/dbraw/zinc/79/23/98/864792398.db2.gz LFSRZOKFUZWXRY-UHFFFAOYSA-N 0 0 376.428 3.566 10 0 GHAERN Cc1nc(-c2ccc(NCc3nnc(-c4ccccc4)s3)nc2)[nH]c(=O)c1C ZINC000301613848 865456279 /nfs/dbraw/zinc/45/62/79/865456279.db2.gz AHNOYHWAHOPLJO-UHFFFAOYSA-N 0 0 390.472 3.992 10 0 GHAERN CCc1cc(N2CCC(c3noc(C4CC4)n3)CC2)nc(-c2ccncc2)n1 ZINC000302185690 865755851 /nfs/dbraw/zinc/75/58/51/865755851.db2.gz ULSGUXSIKWZAGO-UHFFFAOYSA-N 0 0 376.464 3.745 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)CCO2)n1 ZINC000111716583 866697581 /nfs/dbraw/zinc/69/75/81/866697581.db2.gz ZTOKGXPEMRXTJH-MRXNPFEDSA-N 0 0 396.413 3.760 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nn1-c1cc(C)cc(C)c1 ZINC000180205936 866899387 /nfs/dbraw/zinc/89/93/87/866899387.db2.gz KGHPSUTUKLVISX-AVRDEDQJSA-N 0 0 382.508 3.956 10 0 GHAERN Cc1ccccc1OCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000169865933 882029980 /nfs/dbraw/zinc/02/99/80/882029980.db2.gz CHKHHGREGFKTND-UHFFFAOYSA-N 0 0 386.536 3.842 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000169853807 882030064 /nfs/dbraw/zinc/03/00/64/882030064.db2.gz FFDNZVQADDCKSQ-UHFFFAOYSA-N 0 0 393.270 3.734 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1cc(Cl)ccc1Cl ZINC000169868229 882030276 /nfs/dbraw/zinc/03/02/76/882030276.db2.gz DXKGJBIKRPJJKC-UHFFFAOYSA-N 0 0 393.270 3.734 10 0 GHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000171007586 882065929 /nfs/dbraw/zinc/06/59/29/882065929.db2.gz JXYDAZVMCYYKDG-UHFFFAOYSA-N 0 0 387.915 3.719 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)NCC[C@H]1c3ccccc3NC1=O)CCC2 ZINC000171898447 882147361 /nfs/dbraw/zinc/14/73/61/882147361.db2.gz RAFCWZFAOAQWCE-WMLDXEAASA-N 0 0 384.505 3.596 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c3c2CCC3)c(F)c1 ZINC000151581125 868074494 /nfs/dbraw/zinc/07/44/94/868074494.db2.gz GSPBDBSHNUUJFS-HJPURHCSSA-N 0 0 397.494 3.576 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1nc(C)cs1 ZINC000171720635 882156026 /nfs/dbraw/zinc/15/60/26/882156026.db2.gz YCJCXBUBDAIGJN-QGZVFWFLSA-N 0 0 392.569 3.727 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000172639746 882282344 /nfs/dbraw/zinc/28/23/44/882282344.db2.gz KFTKXFOFRSTMRT-GOSISDBHSA-N 0 0 386.467 3.545 10 0 GHAERN CCN(c1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1)C(C)C ZINC000172677722 882283761 /nfs/dbraw/zinc/28/37/61/882283761.db2.gz FDQQRKCQQROYMS-UHFFFAOYSA-N 0 0 394.519 3.807 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000172535074 882293976 /nfs/dbraw/zinc/29/39/76/882293976.db2.gz RZYJLLQUTIIBKS-UHFFFAOYSA-N 0 0 396.834 3.520 10 0 GHAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172496050 882288851 /nfs/dbraw/zinc/28/88/51/882288851.db2.gz VVCRJZFBJCJJRX-OALUTQOASA-N 0 0 381.476 3.759 10 0 GHAERN CN(Cc1cccc2ccccc21)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172748534 882305325 /nfs/dbraw/zinc/30/53/25/882305325.db2.gz LKQKLEFNYTWWFP-UHFFFAOYSA-N 0 0 387.483 3.746 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc4cc(F)ccc4oc3=O)C2)cc1 ZINC000173082422 882319894 /nfs/dbraw/zinc/31/98/94/882319894.db2.gz AXSQHCFLOYSAOG-XJKSGUPXSA-N 0 0 381.403 3.959 10 0 GHAERN CC1(C)CC[C@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000172905451 882323684 /nfs/dbraw/zinc/32/36/84/882323684.db2.gz PCSVMQIEAQUQQV-FQEVSTJZSA-N 0 0 391.515 3.863 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CN3CCCCCCC3=O)C2)n1 ZINC000173946408 869831484 /nfs/dbraw/zinc/83/14/84/869831484.db2.gz INBPHZMKOOXDHB-MRXNPFEDSA-N 0 0 377.554 3.765 10 0 GHAERN O=C(OCc1cnc(-c2cccs2)o1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000173102748 882349644 /nfs/dbraw/zinc/34/96/44/882349644.db2.gz JXCLYXWQZJRFIY-INIZCTEOSA-N 0 0 397.456 3.536 10 0 GHAERN COc1cccc(C2CCN(C(=O)c3cccc(N4CCNC4=O)c3C)CC2)c1 ZINC000173357864 882356450 /nfs/dbraw/zinc/35/64/50/882356450.db2.gz DEWAKEGWIPDGNC-UHFFFAOYSA-N 0 0 393.487 3.553 10 0 GHAERN O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CC=C(c2cccs2)CC1 ZINC000173567936 882380683 /nfs/dbraw/zinc/38/06/83/882380683.db2.gz CRECXWPZUMBGCT-UHFFFAOYSA-N 0 0 387.892 3.861 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Nc3ccccc3F)CC2)ccc1C(=O)N(C)C ZINC000173567339 882381459 /nfs/dbraw/zinc/38/14/59/882381459.db2.gz CBEXPRAHXCEJEI-UHFFFAOYSA-N 0 0 398.482 3.944 10 0 GHAERN O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186916004 870242592 /nfs/dbraw/zinc/24/25/92/870242592.db2.gz LBLYRTVSRUVTNS-KGLIPLIRSA-N 0 0 385.411 3.543 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174088403 882425332 /nfs/dbraw/zinc/42/53/32/882425332.db2.gz PBXPOWMLXAYTEP-UHFFFAOYSA-N 0 0 395.478 3.665 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000109670366 870647774 /nfs/dbraw/zinc/64/77/74/870647774.db2.gz QTQMCWUGQBCFEA-INIZCTEOSA-N 0 0 382.508 3.806 10 0 GHAERN O=C(Nc1nc(-c2ccccc2Cl)ns1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000110381589 870651874 /nfs/dbraw/zinc/65/18/74/870651874.db2.gz AWBYPJGNPCQWKB-LLVKDONJSA-N 0 0 390.896 3.588 10 0 GHAERN CCc1cccc(CC)c1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174462375 882470819 /nfs/dbraw/zinc/47/08/19/882470819.db2.gz INZSJMLIGVLGKG-UHFFFAOYSA-N 0 0 397.523 3.812 10 0 GHAERN COc1cccc([C@@H](C)CC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000175405395 882551939 /nfs/dbraw/zinc/55/19/39/882551939.db2.gz XBSAEKRGCVERNI-INIZCTEOSA-N 0 0 386.517 3.625 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CSCc3c(C)noc3C)C2)c1 ZINC000175411303 882553557 /nfs/dbraw/zinc/55/35/57/882553557.db2.gz BABIDVGHGVLOJK-OAHLLOKOSA-N 0 0 390.505 3.558 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)nc21 ZINC000175185619 882554715 /nfs/dbraw/zinc/55/47/15/882554715.db2.gz FFIATZLRJAMBHS-QGZVFWFLSA-N 0 0 390.487 3.681 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1C ZINC000101605325 872140812 /nfs/dbraw/zinc/14/08/12/872140812.db2.gz FMIXEFAMZFWTPI-UHFFFAOYSA-N 0 0 395.503 3.780 10 0 GHAERN NC(=O)N[C@H](CC(=O)Nc1cnccc1-c1cccc(F)c1)c1cccs1 ZINC000175519039 882593553 /nfs/dbraw/zinc/59/35/53/882593553.db2.gz ISZNYRKUPWTYOE-OAHLLOKOSA-N 0 0 384.436 3.687 10 0 GHAERN C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175569964 882598828 /nfs/dbraw/zinc/59/88/28/882598828.db2.gz KDHJKNVNHLEDGY-FUHWJXTLSA-N 0 0 384.524 3.763 10 0 GHAERN O=C(Nc1cc(-c2ccccc2)on1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175868594 882608579 /nfs/dbraw/zinc/60/85/79/882608579.db2.gz OIYZEVQGLRKJNJ-UHFFFAOYSA-N 0 0 393.418 3.972 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000175738327 882619662 /nfs/dbraw/zinc/61/96/62/882619662.db2.gz YQTVDBNRFCDRLM-SANMLTNESA-N 0 0 375.469 3.672 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@H]3CCN(c4ccc(F)cc4)C3)nc21 ZINC000175804500 882633009 /nfs/dbraw/zinc/63/30/09/882633009.db2.gz VPFIGGBOCMTOPJ-MRXNPFEDSA-N 0 0 380.467 3.586 10 0 GHAERN CCOc1ccc(CC(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102143543 872640488 /nfs/dbraw/zinc/64/04/88/872640488.db2.gz SCWCGMVSBQASBE-GOSISDBHSA-N 0 0 385.460 3.625 10 0 GHAERN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)OCc1nc(Cl)ccc1Cl ZINC000102194698 872713346 /nfs/dbraw/zinc/71/33/46/872713346.db2.gz JUKHHRQNXWHBMO-AWEZNQCLSA-N 0 0 399.299 3.727 10 0 GHAERN Cc1nn(-c2ccccc2)cc1C(=O)OCCOCCCc1cccc(C)n1 ZINC000102215448 872759302 /nfs/dbraw/zinc/75/93/02/872759302.db2.gz NXHSSSNDHFPHCV-UHFFFAOYSA-N 0 0 379.460 3.690 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176234544 882649252 /nfs/dbraw/zinc/64/92/52/882649252.db2.gz QFUFNWPPJFWMRD-MOPGFXCFSA-N 0 0 398.528 3.599 10 0 GHAERN CCC[C@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000176074686 882663706 /nfs/dbraw/zinc/66/37/06/882663706.db2.gz HCCDBRXVJMPYHI-AUUYWEPGSA-N 0 0 384.517 3.902 10 0 GHAERN O=C(NCC1(c2cccc(Br)c2)CCC1)[C@H]1CCCn2ccnc21 ZINC000176093208 882664883 /nfs/dbraw/zinc/66/48/83/882664883.db2.gz PNSIKPKXMCGWOW-INIZCTEOSA-N 0 0 388.309 3.761 10 0 GHAERN Cc1cc(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000116246614 873368718 /nfs/dbraw/zinc/36/87/18/873368718.db2.gz QKQKLKUQOXUBKF-MGPUTAFESA-N 0 0 399.560 3.750 10 0 GHAERN CC(=O)c1cc(Br)ccc1OC(=O)CCc1nc(C(C)(C)C)no1 ZINC000102711178 873471954 /nfs/dbraw/zinc/47/19/54/873471954.db2.gz RAPVQNMFGVBHKI-UHFFFAOYSA-N 0 0 395.253 3.870 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)c3ccncc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102744521 873526241 /nfs/dbraw/zinc/52/62/41/873526241.db2.gz MVIFLOKMZSKHLN-CHWSQXEVSA-N 0 0 379.382 3.966 10 0 GHAERN Cc1n[nH]cc1NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(C(F)(F)F)c1 ZINC000102802376 873649149 /nfs/dbraw/zinc/64/91/49/873649149.db2.gz VQOQQUAXEHTDHO-PHIMTYICSA-N 0 0 397.401 3.995 10 0 GHAERN Cc1nc2nc(=S)n(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)n2c(C)c1C ZINC000102921173 873882016 /nfs/dbraw/zinc/88/20/16/873882016.db2.gz CAZQLCGVBLSOKI-MRXNPFEDSA-N 0 0 397.504 3.709 10 0 GHAERN COc1ccccc1CC1CCN(CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000102410572 882784524 /nfs/dbraw/zinc/78/45/24/882784524.db2.gz NOXXERHTSBTFDT-UHFFFAOYSA-N 0 0 395.503 3.547 10 0 GHAERN O=C(Nc1ccccc1SC(F)F)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177505433 882808958 /nfs/dbraw/zinc/80/89/58/882808958.db2.gz WXSYJSSUKFHPJR-NSHDSACASA-N 0 0 397.472 3.803 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000177795447 882826175 /nfs/dbraw/zinc/82/61/75/882826175.db2.gz RIRPPSSIBWKBDL-HNNXBMFYSA-N 0 0 390.274 3.680 10 0 GHAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000118329815 874495532 /nfs/dbraw/zinc/49/55/32/874495532.db2.gz FFQUSHZWCLQPEO-GFCCVEGCSA-N 0 0 398.937 3.610 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(N3CCNC3=O)c1C)CCC2 ZINC000119147378 874947362 /nfs/dbraw/zinc/94/73/62/874947362.db2.gz KSJCQJYTJDRANR-KRWDZBQOSA-N 0 0 398.532 3.693 10 0 GHAERN COc1ccc2c(C)c(CCC(=O)Nc3ccnn3C3CCCC3)c(=O)oc2c1 ZINC000105315816 875211243 /nfs/dbraw/zinc/21/12/43/875211243.db2.gz LZAUGISDHJRTLN-UHFFFAOYSA-N 0 0 395.459 3.993 10 0 GHAERN Cc1nc2ccc(NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)cc2s1 ZINC000105540742 875325950 /nfs/dbraw/zinc/32/59/50/875325950.db2.gz JUGRQBOVSNYCJP-BJMVGYQFSA-N 0 0 387.486 3.628 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000178891725 882963064 /nfs/dbraw/zinc/96/30/64/882963064.db2.gz DLSBFOJBEPLEDR-IBGZPJMESA-N 0 0 398.438 3.847 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCCc2ccccc2)c2ccccc2F)no1 ZINC000178892290 882962348 /nfs/dbraw/zinc/96/23/48/882962348.db2.gz ZJNFRQOOZYFSKU-IBGZPJMESA-N 0 0 382.439 3.881 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H](CC1CCCC1)c1ccccc1 ZINC000179106089 882972039 /nfs/dbraw/zinc/97/20/39/882972039.db2.gz MIXZEICYGMPEIW-FQEVSTJZSA-N 0 0 390.491 3.783 10 0 GHAERN COc1cccc([C@H]2CN(C(=O)c3nn(CC(C)C)cc3C(F)F)CCO2)c1 ZINC000120304232 875897539 /nfs/dbraw/zinc/89/75/39/875897539.db2.gz COOVJFVZBPYJCX-QGZVFWFLSA-N 0 0 393.434 3.699 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1 ZINC000120804408 876308823 /nfs/dbraw/zinc/30/88/23/876308823.db2.gz RBGNXUUXOQMUMH-DHZHZOJOSA-N 0 0 390.487 3.936 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000120813238 876310244 /nfs/dbraw/zinc/31/02/44/876310244.db2.gz YOPZADGERGYDLB-VDZSZVPASA-N 0 0 396.491 3.509 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000179811076 883030737 /nfs/dbraw/zinc/03/07/37/883030737.db2.gz UGNUOAVBUJFEPU-AWEZNQCLSA-N 0 0 387.505 3.896 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179838026 883031537 /nfs/dbraw/zinc/03/15/37/883031537.db2.gz FJYHRBFHLRKBPF-AZUAARDMSA-N 0 0 398.507 3.606 10 0 GHAERN O=[S@](Cc1noc(-c2ccsc2)n1)Cc1nnc(-c2ccccc2)s1 ZINC000121106756 876549903 /nfs/dbraw/zinc/54/99/03/876549903.db2.gz UBIGYEQMUJCAPT-VWLOTQADSA-N 0 0 388.499 3.766 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1)Cc1ccc(Cl)cc1 ZINC000180201489 883066043 /nfs/dbraw/zinc/06/60/43/883066043.db2.gz JTVBJDSTOIJWLF-KNBMTAEXSA-N 0 0 389.927 3.614 10 0 GHAERN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@H]1CCO[C@H]1C)CC2 ZINC000129727774 877645821 /nfs/dbraw/zinc/64/58/21/877645821.db2.gz ZKWDKMIFEXVSLV-OHEPNIRZSA-N 0 0 396.487 3.538 10 0 GHAERN C[C@H](NC(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000193469548 877859845 /nfs/dbraw/zinc/85/98/45/877859845.db2.gz DKEQTNVADCCKJU-HNNXBMFYSA-N 0 0 380.554 3.654 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000121914944 878040915 /nfs/dbraw/zinc/04/09/15/878040915.db2.gz PVHBYHSFEXLHLE-UWJYYQICSA-N 0 0 392.499 3.836 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cc1 ZINC000122200262 878552175 /nfs/dbraw/zinc/55/21/75/878552175.db2.gz AARBIHKWWVZFPD-GOEBONIOSA-N 0 0 378.428 3.662 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3Cc4ccccc4N(C)C[C@H]3C)cc2NC1=O ZINC000175221744 878744507 /nfs/dbraw/zinc/74/45/07/878744507.db2.gz YTGBQMYVUCRBFD-KGLIPLIRSA-N 0 0 381.501 3.600 10 0 GHAERN O=C(NCc1ccc(Cl)s1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000025520348 879847993 /nfs/dbraw/zinc/84/79/93/879847993.db2.gz HBQLTYMOPQFXLY-UHFFFAOYSA-N 0 0 380.872 3.709 10 0 GHAERN COc1ccccc1/C=C/C(=O)N1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000123007489 879877500 /nfs/dbraw/zinc/87/75/00/879877500.db2.gz CWMPWRVAQWNKLG-TZZQJPOUSA-N 0 0 375.428 3.726 10 0 GHAERN CN(CC1CCN(Cc2nnc(-c3ccccc3)n2C)CC1)C(=O)OC(C)(C)C ZINC000103494673 881223036 /nfs/dbraw/zinc/22/30/36/881223036.db2.gz CDYLWGYBXXKAPG-UHFFFAOYSA-N 0 0 399.539 3.561 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181914202 883191879 /nfs/dbraw/zinc/19/18/79/883191879.db2.gz MOKXFLXBFFJBEE-UHFFFAOYSA-N 0 0 393.940 3.661 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182212961 883211477 /nfs/dbraw/zinc/21/14/77/883211477.db2.gz GQUGDYVEWKFUAO-NPMXOYFQSA-N 0 0 393.487 3.903 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3nc4ccccc4n3C)cc2)CCC(=O)NC1=O ZINC000182739425 883233952 /nfs/dbraw/zinc/23/39/52/883233952.db2.gz BEJODLAOHSEESP-IQMFZBJNSA-N 0 0 390.487 3.831 10 0 GHAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C1 ZINC000182857495 883245033 /nfs/dbraw/zinc/24/50/33/883245033.db2.gz HOXMGPGMMJPHPA-BWYPJQHESA-N 0 0 375.472 3.597 10 0 GHAERN CCC1CCC(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184011585 883298263 /nfs/dbraw/zinc/29/82/63/883298263.db2.gz FQKLORSNBJEWIN-UPQHMETBSA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@H](c3ccccc3)C2)c2ccc(F)cc2C1 ZINC000184025146 883300050 /nfs/dbraw/zinc/30/00/50/883300050.db2.gz AOQGOGQFCDCRSY-AVRDEDQJSA-N 0 0 395.478 3.818 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184022809 883300094 /nfs/dbraw/zinc/30/00/94/883300094.db2.gz WXXAZXBFOGFHRO-HXUWFJFHSA-N 0 0 387.430 3.600 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3cc(F)ccc3C2)c2ccc(F)cc2C1 ZINC000184031732 883301354 /nfs/dbraw/zinc/30/13/54/883301354.db2.gz RPQLILYGMYGNMF-NRFANRHFSA-N 0 0 399.441 3.526 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C)(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184030348 883301588 /nfs/dbraw/zinc/30/15/88/883301588.db2.gz UGYPWKZNHNGCLX-OAQYLSRUSA-N 0 0 397.494 3.896 10 0 GHAERN Cn1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c(-c2ccccc2)n1 ZINC000184065548 883332545 /nfs/dbraw/zinc/33/25/45/883332545.db2.gz BGLZQLQZUNTJCK-MRXNPFEDSA-N 0 0 381.505 3.633 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3c2cccc3F)c2ccc(F)cc2C1 ZINC000185249425 883429781 /nfs/dbraw/zinc/42/97/81/883429781.db2.gz RQPPJXBHGGROLI-IBGZPJMESA-N 0 0 385.414 3.530 10 0 GHAERN C[C@@H](CC1CC1)NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000185425130 883456157 /nfs/dbraw/zinc/45/61/57/883456157.db2.gz SOWLBVZRGRBYDM-ZDUSSCGKSA-N 0 0 397.441 3.798 10 0 GHAERN COc1ccc(C(C)(C)C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185507653 883547774 /nfs/dbraw/zinc/54/77/74/883547774.db2.gz HTEAYPBVWFFEGO-NRFANRHFSA-N 0 0 398.478 3.722 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000185547113 883554146 /nfs/dbraw/zinc/55/41/46/883554146.db2.gz IDPKNIASEAGAMS-JOCHJYFZSA-N 0 0 382.479 3.985 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2nccc3ccccc32)c2ccc(F)cc2C1 ZINC000185556625 883556951 /nfs/dbraw/zinc/55/69/51/883556951.db2.gz IPBVEWCWIKAUET-HXUWFJFHSA-N 0 0 377.419 3.597 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CSc3ccccc32)c2ccc(F)cc2C1 ZINC000185558162 883557037 /nfs/dbraw/zinc/55/70/37/883557037.db2.gz UOSNONUJXLSLTL-OALUTQOASA-N 0 0 384.476 3.625 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000185558268 883557256 /nfs/dbraw/zinc/55/72/56/883557256.db2.gz FHHRBILXUWAKPZ-LHSJRXKWSA-N 0 0 386.442 3.753 10 0 GHAERN CCCc1cnc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185638589 883569291 /nfs/dbraw/zinc/56/92/91/883569291.db2.gz KRKLXMDAJGZLGL-QGZVFWFLSA-N 0 0 390.484 3.850 10 0 GHAERN O=C(NC1CCC(O)(c2cccnc2)CC1)N1CC=C(c2cccs2)CC1 ZINC000185707581 883579106 /nfs/dbraw/zinc/57/91/06/883579106.db2.gz OOKNQLKIZXOCAS-UHFFFAOYSA-N 0 0 383.517 3.772 10 0 GHAERN O=S(=O)(c1ccccc1NCc1ncc(-c2ccccc2)cn1)C(F)F ZINC000185995844 883601747 /nfs/dbraw/zinc/60/17/47/883601747.db2.gz QJNLCWADXIMGOP-UHFFFAOYSA-N 0 0 375.400 3.752 10 0 GHAERN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ncc(-c2ccccc2)cn1 ZINC000186051003 883607949 /nfs/dbraw/zinc/60/79/49/883607949.db2.gz YTFMNCLUIXHQRI-AWEZNQCLSA-N 0 0 381.867 3.699 10 0 GHAERN COc1ccccc1[C@@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccn1 ZINC000186304025 883630455 /nfs/dbraw/zinc/63/04/55/883630455.db2.gz XAWVMWRHUNUMOB-XMSQKQJNSA-N 0 0 394.496 3.688 10 0 GHAERN COc1ccc(CC[C@H](C)NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186644655 883680819 /nfs/dbraw/zinc/68/08/19/883680819.db2.gz MDSFHNNHIGHANB-AWEZNQCLSA-N 0 0 382.464 3.815 10 0 GHAERN CCCOCc1ccccc1CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186666280 883684529 /nfs/dbraw/zinc/68/45/29/883684529.db2.gz WSVCKGJQMUWOHM-UHFFFAOYSA-N 0 0 382.464 3.912 10 0 GHAERN COc1ccc([C@H](C)CCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186673263 883684570 /nfs/dbraw/zinc/68/45/70/883684570.db2.gz YWSXVYBLHAAWHY-CQSZACIVSA-N 0 0 382.464 3.988 10 0 GHAERN COc1cc(C)c(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1F ZINC000186748132 883698525 /nfs/dbraw/zinc/69/85/25/883698525.db2.gz ZONLSBOHRPPZHN-UHFFFAOYSA-N 0 0 391.487 3.789 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c2ccc(F)cc2C1 ZINC000186747945 883699200 /nfs/dbraw/zinc/69/92/00/883699200.db2.gz PLZNVKDJEHHERU-RTWAWAEBSA-N 0 0 396.462 3.528 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000186808552 883707359 /nfs/dbraw/zinc/70/73/59/883707359.db2.gz MUVMDSVAVLJTEL-CQSZACIVSA-N 0 0 396.415 3.727 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000186851012 883723712 /nfs/dbraw/zinc/72/37/12/883723712.db2.gz VOYNQATWMDPWHX-DGCLKSJQSA-N 0 0 380.491 3.899 10 0 GHAERN COc1ccc(CNC(=O)N2CCC(Nc3nccs3)CC2)cc1Cl ZINC000187614503 883804736 /nfs/dbraw/zinc/80/47/36/883804736.db2.gz IZFQXLLGVJFXBV-UHFFFAOYSA-N 0 0 380.901 3.591 10 0 GHAERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CCC(c3ccnn3CCO)CC1)CC2 ZINC000188152664 883827508 /nfs/dbraw/zinc/82/75/08/883827508.db2.gz HFWSWEUZACPMPG-NRFANRHFSA-N 0 0 396.535 3.575 10 0 GHAERN Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CC(=O)Nc5ccccc54)CC3)oc21 ZINC000188520920 883855673 /nfs/dbraw/zinc/85/56/73/883855673.db2.gz OTPUMLAGSFYBCA-QGZVFWFLSA-N 0 0 389.455 3.968 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000188794935 883872886 /nfs/dbraw/zinc/87/28/86/883872886.db2.gz QGGFIMNAYOMXFG-CTNGQTDRSA-N 0 0 378.472 3.690 10 0 GHAERN COc1ccccc1-c1nc(C2CCN(C(=O)N[C@@H](C)CC3CC3)CC2)no1 ZINC000188901930 883883750 /nfs/dbraw/zinc/88/37/50/883883750.db2.gz TXEGAGIBMPQAOO-AWEZNQCLSA-N 0 0 384.480 3.823 10 0 GHAERN COCCCOc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000189084856 883901636 /nfs/dbraw/zinc/90/16/36/883901636.db2.gz GQOAMJGMMBSFMY-UHFFFAOYSA-N 0 0 390.509 3.667 10 0 GHAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CC2(CCOCC2)c2ccccc21 ZINC000189366889 883940487 /nfs/dbraw/zinc/94/04/87/883940487.db2.gz FVGDASDFEWHIGE-UHFFFAOYSA-N 0 0 399.299 3.646 10 0 GHAERN COCCc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1 ZINC000189462451 883944574 /nfs/dbraw/zinc/94/45/74/883944574.db2.gz GDXSLVHBAWSYNT-PMACEKPBSA-N 0 0 396.487 3.686 10 0 GHAERN COCCCOc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189798321 883996918 /nfs/dbraw/zinc/99/69/18/883996918.db2.gz BLZZMGAMAJIZIC-UHFFFAOYSA-N 0 0 381.472 3.811 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189853805 884017845 /nfs/dbraw/zinc/01/78/45/884017845.db2.gz FNEXPOIBNKZORH-UHFFFAOYSA-N 0 0 390.483 3.518 10 0 GHAERN O=S(=O)(c1ccc(CC(F)(F)F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000189971494 884029420 /nfs/dbraw/zinc/02/94/20/884029420.db2.gz OLTRGFXALFAJAA-ZDUSSCGKSA-N 0 0 390.452 3.816 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000190054399 884044783 /nfs/dbraw/zinc/04/47/83/884044783.db2.gz GVRTWJPCTJNKDW-DRZCJDIDSA-N 0 0 398.290 3.852 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cc(C(C)C)nn1-c1ncccn1 ZINC000190069180 884046942 /nfs/dbraw/zinc/04/69/42/884046942.db2.gz LAMPMKOZQWEPTN-INIZCTEOSA-N 0 0 392.463 3.739 10 0 GHAERN O=C(CCc1nc(-c2ccccn2)no1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190285507 884064186 /nfs/dbraw/zinc/06/41/86/884064186.db2.gz DBZUWLDGEUJOGG-CQSZACIVSA-N 0 0 398.413 3.749 10 0 GHAERN CC(C)(C)OC(=O)c1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190368123 884071373 /nfs/dbraw/zinc/07/13/73/884071373.db2.gz KEOAUHKPDBXSIF-UHFFFAOYSA-N 0 0 387.505 3.815 10 0 GHAERN COc1ccc(CCCC(=O)N2CCC(Nc3nccs3)CC2)c(OC)c1 ZINC000190368546 884072158 /nfs/dbraw/zinc/07/21/58/884072158.db2.gz FDLHAAPUABMCCK-UHFFFAOYSA-N 0 0 389.521 3.586 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190393774 884075278 /nfs/dbraw/zinc/07/52/78/884075278.db2.gz RKBOESLMSALMEY-UHFFFAOYSA-N 0 0 387.896 3.699 10 0 GHAERN COc1ccc2cc(C(=O)N3CCC(Nc4nccs4)CC3)c(C)nc2c1 ZINC000190395427 884076617 /nfs/dbraw/zinc/07/66/17/884076617.db2.gz GZIFAWJRURMPMT-UHFFFAOYSA-N 0 0 382.489 3.725 10 0 GHAERN O=C(CCc1ccc(OC(F)F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190431266 884080091 /nfs/dbraw/zinc/08/00/91/884080091.db2.gz OSPPLEVGVBBKRD-UHFFFAOYSA-N 0 0 381.448 3.780 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000190889807 884119011 /nfs/dbraw/zinc/11/90/11/884119011.db2.gz QFCAKMTUEGUUPW-FQEVSTJZSA-N 0 0 386.448 3.689 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000370113631 884152774 /nfs/dbraw/zinc/15/27/74/884152774.db2.gz RULCMRHPSBGEJK-SMDDNHRTSA-N 0 0 377.901 3.584 10 0 GHAERN CCOc1c(Cl)cccc1CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000191138178 884156081 /nfs/dbraw/zinc/15/60/81/884156081.db2.gz SPPZETMWNGJYLS-SFHVURJKSA-N 0 0 384.867 3.614 10 0 GHAERN O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000191607407 884191245 /nfs/dbraw/zinc/19/12/45/884191245.db2.gz YSSYBIYXTUARSE-IBGZPJMESA-N 0 0 375.476 3.696 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)cc1F ZINC000192156849 884242788 /nfs/dbraw/zinc/24/27/88/884242788.db2.gz JHWRZVFUWRUNHR-JXFKEZNVSA-N 0 0 384.451 3.782 10 0 GHAERN COc1ccc(NC(=O)[C@@H](C)N2CC3(CCOCC3)c3ccccc32)c(OC)c1 ZINC000192284320 884248573 /nfs/dbraw/zinc/24/85/73/884248573.db2.gz SMUZPZQOJBMUSC-MRXNPFEDSA-N 0 0 396.487 3.599 10 0 GHAERN O=C(NCC1CCC2(CC1)OCCO2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000192623706 884271380 /nfs/dbraw/zinc/27/13/80/884271380.db2.gz CGCKUVNTANGRFL-UHFFFAOYSA-N 0 0 399.491 3.650 10 0 GHAERN CC(C)c1nccn1CCC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192569784 884281934 /nfs/dbraw/zinc/28/19/34/884281934.db2.gz BFBOZDBSQUCHEW-UHFFFAOYSA-N 0 0 375.900 3.560 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(OC)cc1 ZINC000193241940 884333349 /nfs/dbraw/zinc/33/33/49/884333349.db2.gz RTVZUMAXVSFUED-HKUYNNGSSA-N 0 0 393.491 3.778 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCSc2ccc(F)cc21 ZINC000193260172 884334528 /nfs/dbraw/zinc/33/45/28/884334528.db2.gz RIVRTGNRYSCJCO-WMLDXEAASA-N 0 0 385.464 3.788 10 0 GHAERN O=C(Nc1ccc2ncsc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000193187613 884341624 /nfs/dbraw/zinc/34/16/24/884341624.db2.gz ITHUIKQZUPMOIA-UHFFFAOYSA-N 0 0 386.521 3.943 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000102808585 884470460 /nfs/dbraw/zinc/47/04/60/884470460.db2.gz YZOVJCVMQOCITF-QZTJIDSGSA-N 0 0 387.568 3.935 10 0 GHAERN COc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000102826099 884485686 /nfs/dbraw/zinc/48/56/86/884485686.db2.gz VDVXQCNFIIORGB-BTYIYWSLSA-N 0 0 384.451 3.765 10 0 GHAERN Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102957890 884656419 /nfs/dbraw/zinc/65/64/19/884656419.db2.gz GQTMSDRDCNXYBF-GOSISDBHSA-N 0 0 392.459 3.620 10 0 GHAERN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000105599257 884820390 /nfs/dbraw/zinc/82/03/90/884820390.db2.gz PJOOTQBEGVRGRW-SFHVURJKSA-N 0 0 398.528 3.977 10 0 GHAERN O=C(NCCc1cc(Cl)c2c(c1)OCCO2)C1(c2ccc(F)cc2)CC1 ZINC000105750221 884853265 /nfs/dbraw/zinc/85/32/65/884853265.db2.gz QIBHNZOOFWPJIA-UHFFFAOYSA-N 0 0 375.827 3.641 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000008264491 885785041 /nfs/dbraw/zinc/78/50/41/885785041.db2.gz KTLJPLDPTCTPOL-MRXNPFEDSA-N 0 0 383.498 3.758 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000102694482 885973072 /nfs/dbraw/zinc/97/30/72/885973072.db2.gz CHJCHQITCCMYSD-UHFFFAOYSA-N 0 0 383.883 3.509 10 0 GHAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 ZINC000103181534 885986972 /nfs/dbraw/zinc/98/69/72/885986972.db2.gz YBEKDIKCQLOYJN-JOCHJYFZSA-N 0 0 394.519 3.507 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@H]2CCSc3c(F)cccc32)c2ccccc2)[nH]1 ZINC000105140750 886011314 /nfs/dbraw/zinc/01/13/14/886011314.db2.gz HAYLHTCYYYWBLH-IRXDYDNUSA-N 0 0 397.479 3.878 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000108264706 886068577 /nfs/dbraw/zinc/06/85/77/886068577.db2.gz DIGHSSYTHNKIIJ-UHFFFAOYSA-N 0 0 388.383 3.859 10 0 GHAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218973 886286764 /nfs/dbraw/zinc/28/67/64/886286764.db2.gz RSEUNAFBCKXHKG-SXLOBPIMSA-N 0 0 397.519 3.757 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3csc(-c4ccsc4)n3)C2)n1 ZINC000116774941 886371886 /nfs/dbraw/zinc/37/18/86/886371886.db2.gz WZESNUHVBJIAPP-CQSZACIVSA-N 0 0 387.534 3.632 10 0 GHAERN COC(=O)N(C)Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000117462806 886384659 /nfs/dbraw/zinc/38/46/59/886384659.db2.gz LCCACFRKRNSJPY-OAHLLOKOSA-N 0 0 388.493 3.753 10 0 GHAERN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)c1C ZINC000117631174 886388385 /nfs/dbraw/zinc/38/83/85/886388385.db2.gz NGNHHAGTLWFCMJ-DJJJIMSYSA-N 0 0 388.489 3.650 10 0 GHAERN Cc1[nH]cc(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)c(=O)c1Br ZINC000119771712 886477433 /nfs/dbraw/zinc/47/74/33/886477433.db2.gz XTCBGHVKXMLBNF-RNCFNFMXSA-N 0 0 397.294 3.522 10 0 GHAERN COc1cc2c(c(CN[C@@H](c3ncon3)c3ccc(Cl)cc3)c1)O[C@@H](C)C2 ZINC000122577670 886592098 /nfs/dbraw/zinc/59/20/98/886592098.db2.gz UQQNJYCOFHXRFK-KPZWWZAWSA-N 0 0 385.851 3.934 10 0 GHAERN C[C@@H](OCCCNC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000123359543 886626852 /nfs/dbraw/zinc/62/68/52/886626852.db2.gz BKPMRNGQHRDMNT-GOSISDBHSA-N 0 0 384.524 3.552 10 0 GHAERN Cc1nc([C@@H](NC(=O)NCCc2cc3ccccc3[nH]2)c2ccccc2F)no1 ZINC000124025028 886699086 /nfs/dbraw/zinc/69/90/86/886699086.db2.gz NKNXQPRWHUJMJY-IBGZPJMESA-N 0 0 393.422 3.630 10 0 GHAERN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)c3nc(-c4cccnc4)no3)n2)c1 ZINC000124341054 886733180 /nfs/dbraw/zinc/73/31/80/886733180.db2.gz FGMYZMRWDODVPJ-OLZOCXBDSA-N 0 0 392.419 3.602 10 0 GHAERN CS[C@H]1CCCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124425401 886746550 /nfs/dbraw/zinc/74/65/50/886746550.db2.gz MTJDWKPPJOALBP-BBRMVZONSA-N 0 0 378.473 3.534 10 0 GHAERN CCS[C@@H]1CCCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124565488 886766372 /nfs/dbraw/zinc/76/63/72/886766372.db2.gz QKUKXCGRBQBLSM-RHSMWYFYSA-N 0 0 392.500 3.924 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCc2ccc(F)cc2)c2ccccc2F)no1 ZINC000124675790 886781504 /nfs/dbraw/zinc/78/15/04/886781504.db2.gz SXTPVYQZSBKUQN-GOSISDBHSA-N 0 0 386.402 3.630 10 0 GHAERN CCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1Cl ZINC000124866908 886805196 /nfs/dbraw/zinc/80/51/96/886805196.db2.gz KTRCYHMVMNNTCY-OAHLLOKOSA-N 0 0 395.931 3.846 10 0 GHAERN CC(C)(CO)[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000126966016 887018549 /nfs/dbraw/zinc/01/85/49/887018549.db2.gz WHWXEIQBEHPPLS-ROUUACIJSA-N 0 0 387.549 3.834 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000127603780 887083362 /nfs/dbraw/zinc/08/33/62/887083362.db2.gz CTWHPXPAKKNYQR-SUMWQHHRSA-N 0 0 393.940 3.771 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000127603269 887083419 /nfs/dbraw/zinc/08/34/19/887083419.db2.gz CTWHPXPAKKNYQR-GUYCJALGSA-N 0 0 393.940 3.771 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000104997573 887167523 /nfs/dbraw/zinc/16/75/23/887167523.db2.gz QWCQMGBTLOYMEG-UHFFFAOYSA-N 0 0 382.508 3.713 10 0 GHAERN CC(C)(C)c1ccc(OCCNC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000046433457 887195339 /nfs/dbraw/zinc/19/53/39/887195339.db2.gz IRZWLDYUVICEDI-UHFFFAOYSA-N 0 0 394.475 3.557 10 0 GHAERN O=c1[nH]c(CN2CCC(Nc3ccccc3F)CC2)nc2sc3c(c21)CCC3 ZINC000129079507 887256745 /nfs/dbraw/zinc/25/67/45/887256745.db2.gz XFULYMHTWRHGKG-UHFFFAOYSA-N 0 0 398.507 3.689 10 0 GHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000130028996 887384133 /nfs/dbraw/zinc/38/41/33/887384133.db2.gz HZPFFATZXVSXCX-UHFFFAOYSA-N 0 0 398.850 3.766 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1C ZINC000102082165 887762979 /nfs/dbraw/zinc/76/29/79/887762979.db2.gz BDSPOCXDYXCSKX-UHFFFAOYSA-N 0 0 380.488 3.737 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cccc(F)c1F ZINC000133961000 887820647 /nfs/dbraw/zinc/82/06/47/887820647.db2.gz ZVTHZXQREZNXOR-CYBMUJFWSA-N 0 0 393.459 3.645 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000134299011 887850896 /nfs/dbraw/zinc/85/08/96/887850896.db2.gz AMRBJIIVXMFQEN-AUUYWEPGSA-N 0 0 399.878 3.919 10 0 GHAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350565 887862436 /nfs/dbraw/zinc/86/24/36/887862436.db2.gz DQMIQFQDLWPVHC-DLBZAZTESA-N 0 0 375.476 3.626 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000134366764 887864101 /nfs/dbraw/zinc/86/41/01/887864101.db2.gz KNEVJVVGKVFNIB-NQIIRXRSSA-N 0 0 391.471 3.798 10 0 GHAERN CN1CC[C@@H](CNC(=O)c2ccccc2COC2CCOCC2)c2ccccc21 ZINC000135113786 887944949 /nfs/dbraw/zinc/94/49/49/887944949.db2.gz IIYBBMMGXCGJBS-SFHVURJKSA-N 0 0 394.515 3.736 10 0 GHAERN COc1cccc(Nc2ccccc2C(=O)N2CCC(n3cncn3)CC2)c1 ZINC000135424930 888240267 /nfs/dbraw/zinc/24/02/67/888240267.db2.gz UZERNYCZFQOQCE-UHFFFAOYSA-N 0 0 377.448 3.508 10 0 GHAERN COc1ccccc1CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)C1CC1 ZINC000055675759 888326850 /nfs/dbraw/zinc/32/68/50/888326850.db2.gz VRDQUFAFLGRZHM-UHFFFAOYSA-N 0 0 398.528 3.800 10 0 GHAERN O=C(Nc1cccc(OCC(F)(F)F)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137054815 888329552 /nfs/dbraw/zinc/32/95/52/888329552.db2.gz RHYGNSDNZFBJNU-INIZCTEOSA-N 0 0 381.354 3.708 10 0 GHAERN COc1ccc(Br)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000137294924 888345167 /nfs/dbraw/zinc/34/51/67/888345167.db2.gz SGHYIXTXHNKHGY-CQSZACIVSA-N 0 0 392.253 3.538 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC=C(c2ccccc2F)CC1 ZINC000137352917 888348151 /nfs/dbraw/zinc/34/81/51/888348151.db2.gz NLGNGAOCSUJAEL-LJQANCHMSA-N 0 0 382.460 3.945 10 0 GHAERN O=C(c1ccc(F)c(F)c1)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000056276834 888354775 /nfs/dbraw/zinc/35/47/75/888354775.db2.gz DACYRXOQWMJAJV-UHFFFAOYSA-N 0 0 378.806 3.607 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cccs1 ZINC000056743883 888375319 /nfs/dbraw/zinc/37/53/19/888375319.db2.gz VLJNPBIFVSUNFP-OAHLLOKOSA-N 0 0 377.535 3.865 10 0 GHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000058569854 888441794 /nfs/dbraw/zinc/44/17/94/888441794.db2.gz OJJWLQIEXFZOQV-UXHICEINSA-N 0 0 390.491 3.530 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCCC[C@@H]3c3ccccc3)CC2)n1 ZINC000194100775 888556888 /nfs/dbraw/zinc/55/68/88/888556888.db2.gz VCRSVANUUPYMGI-HXUWFJFHSA-N 0 0 394.519 3.846 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC(n4cncn4)CC3)sc2C1 ZINC000194570066 888595468 /nfs/dbraw/zinc/59/54/68/888595468.db2.gz PAGJPMUIQAGGLG-ZDUSSCGKSA-N 0 0 388.541 3.755 10 0 GHAERN CCn1ncc2ccc(NC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc21 ZINC000194764105 888617528 /nfs/dbraw/zinc/61/75/28/888617528.db2.gz MGLUWKZMHJEKPT-UHFFFAOYSA-N 0 0 397.523 3.703 10 0 GHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccn3)n2)C1 ZINC000195011064 888636118 /nfs/dbraw/zinc/63/61/18/888636118.db2.gz HBGUFDSUMQNHRB-OAHLLOKOSA-N 0 0 392.484 3.696 10 0 GHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)Nc1ccccc1Br ZINC000195346452 888681524 /nfs/dbraw/zinc/68/15/24/888681524.db2.gz SSHMDNPNDRIQQB-GFCCVEGCSA-N 0 0 380.311 3.724 10 0 GHAERN OCCn1nccc1C1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000195508672 888683748 /nfs/dbraw/zinc/68/37/48/888683748.db2.gz UAFMRJCGMYBXEG-UHFFFAOYSA-N 0 0 386.883 3.563 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)[C@@H](C)c1ccccc1 ZINC000245469872 888767066 /nfs/dbraw/zinc/76/70/66/888767066.db2.gz MHNWLTONTRUQEE-ZIFCJYIRSA-N 0 0 377.492 3.811 10 0 GHAERN CCN1CC[C@H](NC(=O)[C@H]2CCCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245584366 888999423 /nfs/dbraw/zinc/99/94/23/888999423.db2.gz ITNAYUCXGAZALR-WBAXXEDZSA-N 0 0 390.890 3.505 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1)c1c(C)noc1C ZINC000245653511 889170135 /nfs/dbraw/zinc/17/01/35/889170135.db2.gz KQIBPECTQDWVOT-OTWHNJEPSA-N 0 0 399.491 3.731 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N[C@@H](C)c2nc(C)cs2)C1 ZINC000245927669 890030865 /nfs/dbraw/zinc/03/08/65/890030865.db2.gz IFJXTCRDSQUJCK-BHYGNILZSA-N 0 0 387.505 3.501 10 0 GHAERN CCO[C@@H]1C[C@H](Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C12CCCC2 ZINC000245935511 890046953 /nfs/dbraw/zinc/04/69/53/890046953.db2.gz WZJPGABFOMKPQX-ZYSHUDEJSA-N 0 0 383.496 3.628 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245971813 890107329 /nfs/dbraw/zinc/10/73/29/890107329.db2.gz VZPYUCZCYKFOLI-XUWVNRHRSA-N 0 0 377.531 3.573 10 0 GHAERN O[C@H](C[C@H]1COCCN1Cc1ncc(-c2ccccc2Cl)o1)c1ccco1 ZINC000246046091 890235035 /nfs/dbraw/zinc/23/50/35/890235035.db2.gz PLBOGEVIVBCLBB-WMLDXEAASA-N 0 0 388.851 3.913 10 0 GHAERN COc1ccccc1/C(C)=C/C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000066602076 891124120 /nfs/dbraw/zinc/12/41/20/891124120.db2.gz ZYJUMHCUMPRXDS-ISLYRVAYSA-N 0 0 384.520 3.740 10 0 GHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cccnc1-n1cccn1 ZINC000066699302 891127284 /nfs/dbraw/zinc/12/72/84/891127284.db2.gz XJDLMSOOZXGGBR-KRWDZBQOSA-N 0 0 375.476 3.778 10 0 GHAERN CCn1c2ccc(F)cc2nc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000066828804 891131711 /nfs/dbraw/zinc/13/17/11/891131711.db2.gz IIOVWDXIZDXSAB-UHFFFAOYSA-N 0 0 386.515 3.810 10 0 GHAERN O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067047827 891140918 /nfs/dbraw/zinc/14/09/18/891140918.db2.gz XGOGMSRAWRYJQN-CQSZACIVSA-N 0 0 390.530 3.923 10 0 GHAERN C[C@@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccncc1 ZINC000068412570 891178349 /nfs/dbraw/zinc/17/83/49/891178349.db2.gz KVWMCFGNOLOBTA-CYBMUJFWSA-N 0 0 389.381 3.847 10 0 GHAERN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@H](C)O1 ZINC000106031714 891215643 /nfs/dbraw/zinc/21/56/43/891215643.db2.gz DFOGUQXCDUPAKO-IRXDYDNUSA-N 0 0 382.508 3.860 10 0 GHAERN Brc1ccc(-c2cnc(CN3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000246827163 891312821 /nfs/dbraw/zinc/31/28/21/891312821.db2.gz JZVSCPSMZPZQMO-ZBFHGGJFSA-N 0 0 395.322 3.810 10 0 GHAERN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247379010 891372759 /nfs/dbraw/zinc/37/27/59/891372759.db2.gz LAEVODGAFXDODQ-TYPHKJRUSA-N 0 0 399.535 3.946 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247415582 891375149 /nfs/dbraw/zinc/37/51/49/891375149.db2.gz JUVVKGRSAUTJBC-YPAWHYETSA-N 0 0 391.515 3.506 10 0 GHAERN CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000247677558 891392207 /nfs/dbraw/zinc/39/22/07/891392207.db2.gz ZHFRLXOAFRRDGZ-BBWFWOEESA-N 0 0 376.522 3.590 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000247943498 891401876 /nfs/dbraw/zinc/40/18/76/891401876.db2.gz GXCVPVPIXDVTHO-BDTNDASRSA-N 0 0 398.547 3.530 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)cc2F)C[C@H](C)O1 ZINC000248389797 891422009 /nfs/dbraw/zinc/42/20/09/891422009.db2.gz GYPDLMXEWSCYFO-HXFPYSNGSA-N 0 0 391.487 3.518 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)n1 ZINC000248577525 891441839 /nfs/dbraw/zinc/44/18/39/891441839.db2.gz DVYDLDNYBOBWNC-NIKGAXFTSA-N 0 0 395.532 3.980 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2sccc2C)c2ccc(F)cc2C1 ZINC000248660584 891454651 /nfs/dbraw/zinc/45/46/51/891454651.db2.gz ZNEVXSTXVUALFN-OTWHNJEPSA-N 0 0 386.492 3.909 10 0 GHAERN Cc1ccc(C(=O)CCCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721595 891461662 /nfs/dbraw/zinc/46/16/62/891461662.db2.gz MDAMDBLKAKDZBY-KNQAVFIVSA-N 0 0 393.531 3.770 10 0 GHAERN CC(=O)CC(C)(C)CC(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248866991 891476791 /nfs/dbraw/zinc/47/67/91/891476791.db2.gz CFMSLJDBLAZZIK-BEFAXECRSA-N 0 0 382.907 3.984 10 0 GHAERN COc1cc(CN2CCCN(C(=O)c3cccs3)CC2)ccc1SC ZINC000079027994 892179448 /nfs/dbraw/zinc/17/94/48/892179448.db2.gz GUGZZRAVWAFPST-UHFFFAOYSA-N 0 0 376.547 3.827 10 0 GHAERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000102904449 898047021 /nfs/dbraw/zinc/04/70/21/898047021.db2.gz ZJQXYNICYVEZQV-FOIQADDNSA-N 0 0 399.466 3.959 10 0 GHAERN Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 ZINC000103583047 898099332 /nfs/dbraw/zinc/09/93/32/898099332.db2.gz QIVDIYRUYVVSNN-UHFFFAOYSA-N 0 0 376.460 3.903 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000104341999 898140926 /nfs/dbraw/zinc/14/09/26/898140926.db2.gz WJEJVTKDVINBBU-HXUWFJFHSA-N 0 0 392.499 3.746 10 0 GHAERN CNC(=O)COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000105058456 898185911 /nfs/dbraw/zinc/18/59/11/898185911.db2.gz VJLWIQUHDPNZNU-ZDUSSCGKSA-N 0 0 375.856 3.690 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000105228653 898203082 /nfs/dbraw/zinc/20/30/82/898203082.db2.gz XGHSQMHDRZZFLV-IBGZPJMESA-N 0 0 396.535 3.581 10 0 GHAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000105706498 898230656 /nfs/dbraw/zinc/23/06/56/898230656.db2.gz LHUXIKKJKZANDX-AREMUKBSSA-N 0 0 377.481 3.568 10 0 GHAERN O=C(Cc1coc(-c2cccs2)n1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000105954551 898244586 /nfs/dbraw/zinc/24/45/86/898244586.db2.gz APMLFMDMZRLXFR-UHFFFAOYSA-N 0 0 395.484 3.779 10 0 GHAERN C[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119896614 899701000 /nfs/dbraw/zinc/70/10/00/899701000.db2.gz MNJKJZPSRDPKJO-KGLIPLIRSA-N 0 0 385.501 3.534 10 0 GHAERN Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cs1 ZINC000333033067 899907946 /nfs/dbraw/zinc/90/79/46/899907946.db2.gz MSUFOAVEYFNXFS-OAHLLOKOSA-N 0 0 386.521 3.887 10 0 GHAERN CCOc1ccc(NC(=O)N2CC[C@@H](O)CC23CCC3)cc1Br ZINC000333769151 902320925 /nfs/dbraw/zinc/32/09/25/902320925.db2.gz FATXSTXQIRTUNZ-CYBMUJFWSA-N 0 0 383.286 3.759 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)s2)c1 ZINC000131424370 903095145 /nfs/dbraw/zinc/09/51/45/903095145.db2.gz BQPXILXUJZYSPV-AWEZNQCLSA-N 0 0 383.481 3.699 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000175904020 905699594 /nfs/dbraw/zinc/69/95/94/905699594.db2.gz RTYMACXRVIXIOQ-NHYWBVRUSA-N 0 0 396.871 3.758 10 0 GHAERN O=C(CCc1cc(Cl)ccc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181396431 906991563 /nfs/dbraw/zinc/99/15/63/906991563.db2.gz PERDGKXIIXRVJX-CQSZACIVSA-N 0 0 397.704 3.907 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184596893 907617127 /nfs/dbraw/zinc/61/71/27/907617127.db2.gz KYISPPOUTJERQL-ZDUSSCGKSA-N 0 0 394.273 3.643 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000187124151 908043119 /nfs/dbraw/zinc/04/31/19/908043119.db2.gz ORMSMBDBFGQDDE-DZKIICNBSA-N 0 0 379.526 3.808 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000189090845 908282970 /nfs/dbraw/zinc/28/29/70/908282970.db2.gz GTXALGBSAOZCSV-KBXCAEBGSA-N 0 0 398.850 3.696 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000189404044 908316526 /nfs/dbraw/zinc/31/65/26/908316526.db2.gz CURDTUUCHBQTIM-DOTOQJQBSA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(C(F)(F)F)c2C)C1 ZINC000189448869 908324506 /nfs/dbraw/zinc/32/45/06/908324506.db2.gz OCXNEMDVKXSLGH-SMDDNHRTSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000190132134 908433961 /nfs/dbraw/zinc/43/39/61/908433961.db2.gz HUJYUSSGAVGZEW-OCCSQVGLSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000190138937 908437091 /nfs/dbraw/zinc/43/70/91/908437091.db2.gz ZESLUCRCBQZVNQ-HUUCEWRRSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1ccnc2nc(C(=O)N3CCC[C@@H]3C[C@@H]3CCCc4ccccc43)nn21 ZINC000365131818 920412824 /nfs/dbraw/zinc/41/28/24/920412824.db2.gz AMDIDPVFAJZBFZ-ZWKOTPCHSA-N 0 0 375.476 3.548 10 0 GHAERN O=C(N1CCn2c(nnc2-c2cccnc2)C1)C1(c2cccs2)CCCCC1 ZINC000369397626 923319979 /nfs/dbraw/zinc/31/99/79/923319979.db2.gz IFBRQAALRODUQS-UHFFFAOYSA-N 0 0 393.516 3.646 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)C2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000185250934 1014577150 /nfs/dbraw/zinc/57/71/50/1014577150.db2.gz LKHRHQMETZZOOU-OQRDJCCKSA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000185253365 1014577182 /nfs/dbraw/zinc/57/71/82/1014577182.db2.gz BJBYGAZFTZBXGF-SZNDQCEHSA-N 0 0 399.466 3.727 10 0 GHAERN O=C(O[C@@H]1CC2CCN1CC2)N(CCc1ccccc1)C(=O)c1ccccc1 ZINC000504319582 231311041 /nfs/dbraw/zinc/31/10/41/231311041.db2.gz LTOFAVQEZNVCIY-OAQYLSRUSA-N 0 0 378.472 3.950 10 0 GHAERN CC[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4c(=O)o3)c2C(N)=O)C1 ZINC000000996402 203872058 /nfs/dbraw/zinc/87/20/58/203872058.db2.gz VOOICKOQIONWLD-NSHDSACASA-N 0 0 396.468 3.721 10 0 GHAERN CCN(CC)C(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1 ZINC000005274358 204123380 /nfs/dbraw/zinc/12/33/80/204123380.db2.gz LSNQMGXGONNEQB-HKWRFOASSA-N 0 0 375.472 3.818 10 0 GHAERN COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCCOC(C)C)cc1 ZINC000006781280 204204448 /nfs/dbraw/zinc/20/44/48/204204448.db2.gz UJFNOZJEMXKEFA-UHFFFAOYSA-N 0 0 392.459 3.535 10 0 GHAERN CCc1ccc(NC(=O)Cn2nc(CC)n3c(cc4cc(C)ccc43)c2=O)cc1 ZINC000006803403 204208488 /nfs/dbraw/zinc/20/84/88/204208488.db2.gz OEXGCYCGZVOGMI-UHFFFAOYSA-N 0 0 388.471 3.721 10 0 GHAERN CC(C)CNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006833311 204213370 /nfs/dbraw/zinc/21/33/70/204213370.db2.gz MIMVXIPRQZWJNK-QGZVFWFLSA-N 0 0 378.900 3.614 10 0 GHAERN Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)ccc1Br ZINC000006432932 204178359 /nfs/dbraw/zinc/17/83/59/204178359.db2.gz PHVSGKIWOLQZQC-UHFFFAOYSA-N 0 0 382.279 3.560 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CC[C@@H](C)C[C@@H]23)cc1OC ZINC000006738619 204196950 /nfs/dbraw/zinc/19/69/50/204196950.db2.gz CUYNIOKCFPJHJQ-YMTYPPQLSA-N 0 0 394.471 3.680 10 0 GHAERN CCc1ccc(N2C(=O)[C@H]3C[C@@H]4c5ccccc5N[C@@H]4[C@H](C)N3C2=S)cc1 ZINC000008783593 204289701 /nfs/dbraw/zinc/28/97/01/204289701.db2.gz FDFLEPBXEZVLTQ-DIHFKTGWSA-N 0 0 377.513 3.921 10 0 GHAERN COc1cc(-c2c(C)c(C)nc3ncnc(N)c32)cc(Br)c1OC ZINC000009694704 204320534 /nfs/dbraw/zinc/32/05/34/204320534.db2.gz NBVBCYLSLHGDJX-UHFFFAOYSA-N 0 0 389.253 3.671 10 0 GHAERN COc1c(=O)c2ccc(I)cc2oc1-c1ccc(O)cc1 ZINC000027858037 204863089 /nfs/dbraw/zinc/86/30/89/204863089.db2.gz NBEAGXDXZLALDG-UHFFFAOYSA-N 0 0 394.164 3.779 10 0 GHAERN CC(C)NC(=O)N1C[C@H](C(=O)N(C)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042421 205001989 /nfs/dbraw/zinc/00/19/89/205001989.db2.gz GPVNQMBFRNUZNN-SJORKVTESA-N 0 0 399.457 3.706 10 0 GHAERN CC(C)NC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(F)c1 ZINC000036054729 205003692 /nfs/dbraw/zinc/00/36/92/205003692.db2.gz JDAJZTFOEXHVBE-MOPGFXCFSA-N 0 0 388.870 3.860 10 0 GHAERN CCOC(=O)c1cc2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2oc1=O ZINC000040883837 205074041 /nfs/dbraw/zinc/07/40/41/205074041.db2.gz WZRFMRWZPQEPAZ-BJMVGYQFSA-N 0 0 382.343 3.728 10 0 GHAERN Cc1nn(C)c2nc(OCC(=O)Nc3ccc(Cl)cc3)cc(C(F)(F)F)c12 ZINC000045991387 205101157 /nfs/dbraw/zinc/10/11/57/205101157.db2.gz LKAKXENTLAIQLN-UHFFFAOYSA-N 0 0 398.772 3.966 10 0 GHAERN COc1ccccc1CNC(=O)c1csc(-c2ccnc(N3CCCC3)c2)n1 ZINC000065062483 205209080 /nfs/dbraw/zinc/20/90/80/205209080.db2.gz BODBPCMNYGXLHR-UHFFFAOYSA-N 0 0 394.500 3.744 10 0 GHAERN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCCC[C@H]2C)c1 ZINC000064758840 205193546 /nfs/dbraw/zinc/19/35/46/205193546.db2.gz OELNUWMQUVVYLI-QGZVFWFLSA-N 0 0 377.492 3.908 10 0 GHAERN COc1ccccc1NC(=O)CCNc1c(-c2ccccc2)nc2cnccn21 ZINC000064758528 205193699 /nfs/dbraw/zinc/19/36/99/205193699.db2.gz MHBXITZUSKDHHI-UHFFFAOYSA-N 0 0 387.443 3.846 10 0 GHAERN Cc1oc(CNC(=O)c2cc(F)ccc2Cl)nc1C(=O)N1CCC(C)CC1 ZINC000065293746 205227418 /nfs/dbraw/zinc/22/74/18/205227418.db2.gz LAYQOPCDAAMUFT-UHFFFAOYSA-N 0 0 393.846 3.578 10 0 GHAERN O=S(=O)(c1ccc(-c2cc(O)cc(Br)c2)cc1)N1CCCC1 ZINC000065343978 205230393 /nfs/dbraw/zinc/23/03/93/205230393.db2.gz NQDWTPMNMAROFG-UHFFFAOYSA-N 0 0 382.279 3.606 10 0 GHAERN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)NCc1ccc(F)cc1 ZINC000065185867 205217455 /nfs/dbraw/zinc/21/74/55/205217455.db2.gz GKQAZHDSHMFREI-UHFFFAOYSA-N 0 0 384.436 3.557 10 0 GHAERN O=C(N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1cccc(F)c1 ZINC000065209629 205218250 /nfs/dbraw/zinc/21/82/50/205218250.db2.gz UXTCFCCGYIOCEN-SFHVURJKSA-N 0 0 380.423 3.718 10 0 GHAERN [NH3+][C@H](c1ccccc1)[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610570 205286004 /nfs/dbraw/zinc/28/60/04/205286004.db2.gz WJWPTEDHXBVAGO-FGZHOGPDSA-N 0 0 387.435 3.743 10 0 GHAERN CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)CC1 ZINC000008231786 205792042 /nfs/dbraw/zinc/79/20/42/205792042.db2.gz CZBZSETZCPLQLH-UHFFFAOYSA-N 0 0 376.460 3.531 10 0 GHAERN O=C(CCc1nc2ccccc2s1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000109502352 205916981 /nfs/dbraw/zinc/91/69/81/205916981.db2.gz XEHFCQFUKVSTNI-UHFFFAOYSA-N 0 0 376.441 3.618 10 0 GHAERN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)C[C@](C)(O)[C@@H]21 ZINC000252428565 206138942 /nfs/dbraw/zinc/13/89/42/206138942.db2.gz MRAJWLXFXCCZEB-KOORYGTMSA-N 0 0 386.488 3.761 10 0 GHAERN CC(C)(OC(=O)/C=C\c1ccc(O)cc1)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000098088235 206225562 /nfs/dbraw/zinc/22/55/62/206225562.db2.gz YPULLITUOWRRPG-SWRMPZFOSA-N 0 0 392.407 3.837 10 0 GHAERN CCN(CC)C(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000008609209 221046628 /nfs/dbraw/zinc/04/66/28/221046628.db2.gz YFMHMUBVGGNOQU-UHFFFAOYSA-N 0 0 387.842 3.724 10 0 GHAERN CCC(=O)Nc1cc2c(c(C(=O)c3ccc(Br)cc3)c1)OCCO2 ZINC000020572743 570268596 /nfs/dbraw/zinc/26/85/96/570268596.db2.gz NVUGQFSNSMCRSK-UHFFFAOYSA-N 0 0 390.233 3.800 10 0 GHAERN COC(=O)[C@@H]1CC(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000035645937 570375276 /nfs/dbraw/zinc/37/52/76/570375276.db2.gz XHFIQXFLZZNLNS-QHCPKHFHSA-N 0 0 383.447 3.775 10 0 in-vitro GHAERN Cc1ccc2nc(-c3cn[nH]c3)c(C)c(C(=O)N[C@H](C)CCn3cccn3)c2c1 ZINC000032573350 570584996 /nfs/dbraw/zinc/58/49/96/570584996.db2.gz DMNGTRTZBYHHDL-OAHLLOKOSA-N 0 0 388.475 3.647 10 0 GHAERN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000021870984 570751813 /nfs/dbraw/zinc/75/18/13/570751813.db2.gz BQSNKMCRWXDSFV-HXUWFJFHSA-N 0 0 375.384 3.590 10 0 GHAERN O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104280081 837394019 /nfs/dbraw/zinc/39/40/19/837394019.db2.gz ICOWTANXCCDTIY-LJQANCHMSA-N 0 0 389.459 3.566 10 0 GHAERN Cc1ccc([C@@H](NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000332905605 837449151 /nfs/dbraw/zinc/44/91/51/837449151.db2.gz VMOFNCHGGFNMRV-TZIWHRDSSA-N 0 0 379.508 3.547 10 0 GHAERN Cc1ccc(N2CCCN([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000329134040 834425073 /nfs/dbraw/zinc/42/50/73/834425073.db2.gz BOTJDOZWGQSYDI-OAHLLOKOSA-N 0 0 398.898 3.762 10 0 GHAERN COc1ccc(CNC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000003520153 834661136 /nfs/dbraw/zinc/66/11/36/834661136.db2.gz AUFSJSKREIZDOK-UHFFFAOYSA-N 0 0 394.500 3.562 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)N1CCN(c2cncc3ccccc32)CC1 ZINC000588613868 834906507 /nfs/dbraw/zinc/90/65/07/834906507.db2.gz NAHKUKYQEARCHP-WAYWQWQTSA-N 0 0 378.863 3.645 10 0 GHAERN O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)Nc1cccc(F)c1 ZINC000157604280 835006643 /nfs/dbraw/zinc/00/66/43/835006643.db2.gz BXIZEZYLMTWAQT-UHFFFAOYSA-N 0 0 392.312 3.607 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000246799298 835108528 /nfs/dbraw/zinc/10/85/28/835108528.db2.gz QTDIIEWWCLYVLG-ZHALLVOQSA-N 0 0 376.545 3.633 10 0 GHAERN Cc1sc2ncnc(N3CC[C@@H](Oc4cccnc4N4CCCC4)C3)c2c1C ZINC000329483589 835117326 /nfs/dbraw/zinc/11/73/26/835117326.db2.gz WNLMJZIUZHGIKQ-MRXNPFEDSA-N 0 0 395.532 3.961 10 0 GHAERN Cc1cccc([C@@H]2CCCCCN2C(=O)c2nn(C)c3ccccc3c2=O)c1 ZINC000329495674 835135703 /nfs/dbraw/zinc/13/57/03/835135703.db2.gz DNVXGKKFXGKWOH-IBGZPJMESA-N 0 0 375.472 3.999 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000175867002 835207553 /nfs/dbraw/zinc/20/75/53/835207553.db2.gz GBNUHHJYDAXIIZ-GJZGRUSLSA-N 0 0 382.493 3.578 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000158178252 835255113 /nfs/dbraw/zinc/25/51/13/835255113.db2.gz KALNPULSFIEFEY-UHFFFAOYSA-N 0 0 386.471 3.835 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000101524922 835302189 /nfs/dbraw/zinc/30/21/89/835302189.db2.gz ZDDPPSAOXGSRIR-UHFFFAOYSA-N 0 0 386.452 3.712 10 0 GHAERN O=S(=O)(c1sccc1Br)N1CCC[C@H](O)c2ccccc21 ZINC000168558702 835430891 /nfs/dbraw/zinc/43/08/91/835430891.db2.gz BCVNMDMOGOUBIO-ZDUSSCGKSA-N 0 0 388.308 3.533 10 0 GHAERN CN(CCCc1cc(-c2ccccc2)no1)C(=O)NCC(=O)Nc1ccccc1 ZINC000101797696 835585788 /nfs/dbraw/zinc/58/57/88/835585788.db2.gz OQCVMKPIGHIXGL-UHFFFAOYSA-N 0 0 392.459 3.554 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cc1 ZINC000329677016 835654560 /nfs/dbraw/zinc/65/45/60/835654560.db2.gz PVKDBACYPNNOKA-JZJXAQOMSA-N 0 0 383.492 3.939 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CSc2nccn2C(C)(C)C)no1 ZINC000329683544 835675627 /nfs/dbraw/zinc/67/56/27/835675627.db2.gz XTSZICHXPPQMRX-ZDUSSCGKSA-N 0 0 377.514 3.600 10 0 GHAERN Clc1cccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@H]5CO4)no3)on2)c1 ZINC000329728606 835793806 /nfs/dbraw/zinc/79/38/06/835793806.db2.gz PATYMOOEIXNNNP-YOEHRIQHSA-N 0 0 386.839 3.971 10 0 GHAERN Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000329737582 835820680 /nfs/dbraw/zinc/82/06/80/835820680.db2.gz TWECFWYBYHINMF-VGWMRTNUSA-N 0 0 390.281 3.639 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000588594304 835895586 /nfs/dbraw/zinc/89/55/86/835895586.db2.gz MWBDQUJDXLYAPA-KTKRTIGZSA-N 0 0 393.874 3.807 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cn1 ZINC000329000281 844105521 /nfs/dbraw/zinc/10/55/21/844105521.db2.gz VOSOPZOUXXAFPJ-INIZCTEOSA-N 0 0 395.484 3.897 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246268422 836155294 /nfs/dbraw/zinc/15/52/94/836155294.db2.gz AVTAHMUQJYNMDO-ILXRZTDVSA-N 0 0 391.302 3.672 10 0 GHAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000112666104 836187524 /nfs/dbraw/zinc/18/75/24/836187524.db2.gz XKBTWYAZWFFQKS-UHFFFAOYSA-N 0 0 378.476 3.634 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000332751024 836536970 /nfs/dbraw/zinc/53/69/70/836536970.db2.gz AMFCMHJQNSKAEK-BULFRSBZSA-N 0 0 395.503 3.654 10 0 GHAERN O=C(NC1CCC(F)(F)CC1)[C@H]1CCC[C@@H]1C(=O)NC1CCC(F)(F)CC1 ZINC000332770096 836591420 /nfs/dbraw/zinc/59/14/20/836591420.db2.gz PGLDXDNVNMXQHD-GJZGRUSLSA-N 0 0 392.437 3.791 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2nnc(C(C)(C)C)s2)C12CCCC2 ZINC000332919338 836983488 /nfs/dbraw/zinc/98/34/88/836983488.db2.gz LOKMARXCDQFWKW-KGLIPLIRSA-N 0 0 380.558 3.715 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)NCc2nnc(C(C)(C)C)s2)C12CCCC2 ZINC000332919337 836983895 /nfs/dbraw/zinc/98/38/95/836983895.db2.gz LOKMARXCDQFWKW-KBPBESRZSA-N 0 0 380.558 3.715 10 0 GHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102915324 837235583 /nfs/dbraw/zinc/23/55/83/837235583.db2.gz FDBMCGIQGPGYLZ-OAHLLOKOSA-N 0 0 377.391 3.530 10 0 GHAERN O=C(NCc1ccccc1-n1ccnc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103180800 837273489 /nfs/dbraw/zinc/27/34/89/837273489.db2.gz AFAIGHRHHITDPN-JOCHJYFZSA-N 0 0 383.455 3.856 10 0 GHAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000142147476 844277293 /nfs/dbraw/zinc/27/72/93/844277293.db2.gz OUWQWWAYIFVQNR-UHFFFAOYSA-N 0 0 395.418 3.920 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c1Br ZINC000408055817 838085269 /nfs/dbraw/zinc/08/52/69/838085269.db2.gz AUPHXTIVGKLDNU-JCGVRSQUSA-N 0 0 398.345 3.841 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Br)ccc2Cl)[nH]1 ZINC000407979590 838369641 /nfs/dbraw/zinc/36/96/41/838369641.db2.gz CLJBWUXPAIHEAR-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000179940944 838475997 /nfs/dbraw/zinc/47/59/97/838475997.db2.gz KMIGSLZSDMBKSD-FPOVZHCZSA-N 0 0 375.472 3.906 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)cs1 ZINC000330218531 839496638 /nfs/dbraw/zinc/49/66/38/839496638.db2.gz OTJFBOHFEKBULM-SFHVURJKSA-N 0 0 390.534 3.908 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)c1ccc(-c2cccnc2)cc1 ZINC000588383704 839877494 /nfs/dbraw/zinc/87/74/94/839877494.db2.gz RQVPDNOYXQOSDR-IAGOWNOFSA-N 0 0 389.503 3.627 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C(=O)N1CCCC[C@H]1C ZINC000247072492 839999006 /nfs/dbraw/zinc/99/90/06/839999006.db2.gz QGFKMSBEIHUGAA-AOIWGVFYSA-N 0 0 399.535 3.912 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@H]2CCc3cc(Br)ccc32)no1 ZINC000332804517 844570463 /nfs/dbraw/zinc/57/04/63/844570463.db2.gz GDFBGXQBCQORLL-LSDHHAIUSA-N 0 0 391.269 3.675 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207134 840760020 /nfs/dbraw/zinc/76/00/20/840760020.db2.gz URGWGCKSNIOYCJ-HOCLYGCPSA-N 0 0 383.521 3.811 10 0 GHAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408129198 841072393 /nfs/dbraw/zinc/07/23/93/841072393.db2.gz XUWDVDZXZHONJF-BBWFWOEESA-N 0 0 399.304 3.813 10 0 GHAERN C[C@@H]1CCCN(c2cc(NCc3ccc(C(=O)N4CCCCC4)cc3)ncn2)C1 ZINC000301237812 841160054 /nfs/dbraw/zinc/16/00/54/841160054.db2.gz KYNRMZJOVDDHQK-GOSISDBHSA-N 0 0 393.535 3.951 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@@H]1Cc1ccccc1)CC2 ZINC000332863312 844613450 /nfs/dbraw/zinc/61/34/50/844613450.db2.gz QRIAQOXQASQLDN-RBUKOAKNSA-N 0 0 381.524 3.523 10 0 GHAERN C[C@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000332896919 844629406 /nfs/dbraw/zinc/62/94/06/844629406.db2.gz JLWPUAQPDDEPRD-FUHWJXTLSA-N 0 0 390.549 3.907 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000120019656 841311280 /nfs/dbraw/zinc/31/12/80/841311280.db2.gz LZORMGOKWAUVIO-AOMKIAJQSA-N 0 0 382.508 3.657 10 0 GHAERN O=C(/C=C\c1ccncn1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000588473271 844633122 /nfs/dbraw/zinc/63/31/22/844633122.db2.gz LFZMFWHUQPJACI-HLRDLLSLSA-N 0 0 380.448 3.946 10 0 GHAERN O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408168339 841668039 /nfs/dbraw/zinc/66/80/39/841668039.db2.gz GCMNKXFOMITDRX-BBWFWOEESA-N 0 0 381.314 3.674 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000588420086 841838102 /nfs/dbraw/zinc/83/81/02/841838102.db2.gz QVOHJSULGTZTFY-BQHGXPCASA-N 0 0 389.858 3.760 10 0 GHAERN CSc1c(F)cc(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)cc1F ZINC000588428007 842208492 /nfs/dbraw/zinc/20/84/92/842208492.db2.gz OMKIHSBYHSGRCF-YVMONPNESA-N 0 0 398.456 3.710 10 0 GHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000246601980 842405522 /nfs/dbraw/zinc/40/55/22/842405522.db2.gz XMLGZDLNWFOIAY-BFQNTYOBSA-N 0 0 385.917 3.896 10 0 GHAERN CC[C@@H](Oc1ccccc1Cl)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433737 842418453 /nfs/dbraw/zinc/41/84/53/842418453.db2.gz DVCYIQPUBXBCJP-WHLNPGIBSA-N 0 0 382.888 3.695 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)NCC1(c3ccccn3)CC1)O[C@H](C)C2 ZINC000588433649 842424245 /nfs/dbraw/zinc/42/42/45/842424245.db2.gz SVTFQORVRMFTQR-XITLMJRVSA-N 0 0 378.472 3.665 10 0 GHAERN Cc1csc(-c2cccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c2)n1 ZINC000588433707 842425429 /nfs/dbraw/zinc/42/54/29/842425429.db2.gz CQCVSBCZOUPHGX-WAYWQWQTSA-N 0 0 387.505 3.929 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000153107114 842502585 /nfs/dbraw/zinc/50/25/85/842502585.db2.gz DLWAVJFPKAYOIS-WIYYLYMNSA-N 0 0 381.524 3.793 10 0 GHAERN Cc1nc2ccccc2c(C)c1CC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434776 842514358 /nfs/dbraw/zinc/51/43/58/842514358.db2.gz YJGJVEIUKVTCFX-HJWRWDBZSA-N 0 0 383.492 3.591 10 0 GHAERN CC(C)(C)Cc1nnc(N2CC[C@]3(O)CCCC[C@H]3C2)n1C[C@@H]1CCCCO1 ZINC000328843817 842540907 /nfs/dbraw/zinc/54/09/07/842540907.db2.gz PRMFQPPZHUVJJI-NPPFBWRTSA-N 0 0 390.572 3.567 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000279157929 842659743 /nfs/dbraw/zinc/65/97/43/842659743.db2.gz JZMUSNXUHXUUJZ-RWSFTLGLSA-N 0 0 377.432 3.560 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)/C=C\c2ccncn2)cc1 ZINC000588437993 842727595 /nfs/dbraw/zinc/72/75/95/842727595.db2.gz PTDOOOUUNMSDOK-YLQXFRFJSA-N 0 0 398.466 3.785 10 0 GHAERN O=C(c1cc(Br)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328882972 842791433 /nfs/dbraw/zinc/79/14/33/842791433.db2.gz MBRLZVYANCYYIH-KUHUBIRLSA-N 0 0 389.293 3.765 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000247606179 842964005 /nfs/dbraw/zinc/96/40/05/842964005.db2.gz LSBLKPGNDVRBAI-RHSMWYFYSA-N 0 0 391.313 3.618 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000588453928 843331664 /nfs/dbraw/zinc/33/16/64/843331664.db2.gz FOGHSUQLMBGKGG-JTGQJZMRSA-N 0 0 390.270 3.632 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000112306879 843351312 /nfs/dbraw/zinc/35/13/12/843351312.db2.gz OJSZZKYNGJKDDO-UHFFFAOYSA-N 0 0 388.920 3.808 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCCN(C(=O)c4cccs4)CC3)on2)cc1 ZINC000112307017 843351935 /nfs/dbraw/zinc/35/19/35/843351935.db2.gz WCAUNZFQRIGAHS-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN Cc1cccc(OCCCC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112306930 843352342 /nfs/dbraw/zinc/35/23/42/843352342.db2.gz HDSFYFOVBIFQNM-UHFFFAOYSA-N 0 0 386.517 3.590 10 0 GHAERN Cc1ccc2c(CN3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112351872 843352991 /nfs/dbraw/zinc/35/29/91/843352991.db2.gz AKCHAGFGFTWNSB-UHFFFAOYSA-N 0 0 382.485 3.511 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000588455517 843356495 /nfs/dbraw/zinc/35/64/95/843356495.db2.gz FOZFRJNBSUHDLR-SYGIOELKSA-N 0 0 381.476 3.785 10 0 GHAERN O=S(=O)(/C=C\c1cccc(Br)c1)NCCC[C@@H]1CCCCO1 ZINC000588457073 843371663 /nfs/dbraw/zinc/37/16/63/843371663.db2.gz XGDLGNFOQIVBRH-CKDIWJPDSA-N 0 0 388.327 3.689 10 0 GHAERN CCc1cc(NS(=O)(=O)/C=C\c2cccc(Br)c2)nc(C)n1 ZINC000588457057 843372165 /nfs/dbraw/zinc/37/21/65/843372165.db2.gz CJUSRHJYKDWFBY-FPLPWBNLSA-N 0 0 382.283 3.523 10 0 GHAERN Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C1)CCCC2 ZINC000279825579 843408014 /nfs/dbraw/zinc/40/80/14/843408014.db2.gz QSOFWHOOGUWDTO-CYBMUJFWSA-N 0 0 377.847 3.656 10 0 GHAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121743078 843484824 /nfs/dbraw/zinc/48/48/24/843484824.db2.gz JFCRCNNYOKRPRT-ZMZPIMSZSA-N 0 0 395.272 3.837 10 0 GHAERN Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000121780753 843486676 /nfs/dbraw/zinc/48/66/76/843486676.db2.gz QFEAAJILRSQLER-VGSWGCGISA-N 0 0 387.524 3.682 10 0 GHAERN Cc1nc(C)c(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000408397663 843492028 /nfs/dbraw/zinc/49/20/28/843492028.db2.gz VVAOCWOHWIBBAF-JRQWYPPZSA-N 0 0 387.549 3.906 10 0 GHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCN(C(=O)C(C)(C)C)CC3)cc2s1 ZINC000408401585 843771682 /nfs/dbraw/zinc/77/16/82/843771682.db2.gz CUYHZBZCYDNLPF-UHFFFAOYSA-N 0 0 394.928 3.980 10 0 GHAERN CCCN(C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1)[C@@H]1CCc2ccccc21 ZINC000332908365 844643321 /nfs/dbraw/zinc/64/33/21/844643321.db2.gz YYNBESGNNQJQKY-PZJWPPBQSA-N 0 0 393.535 3.863 10 0 GHAERN CCOC(=O)C[C@@H](OC(=O)/C=C\c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000588473449 844648766 /nfs/dbraw/zinc/64/87/66/844648766.db2.gz BPHHCULDSGBIHD-GPCFVJJQSA-N 0 0 379.334 3.750 10 0 GHAERN CC(C)c1ccnc(N2CCN(C(=O)/C=C\c3ccnc4ccccc34)CC2)n1 ZINC000588475113 844652496 /nfs/dbraw/zinc/65/24/96/844652496.db2.gz DFNXYONPPVLZNH-FPLPWBNLSA-N 0 0 387.487 3.510 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000151303397 845180205 /nfs/dbraw/zinc/18/02/05/845180205.db2.gz SWOFXVWJXFYXTI-UHFFFAOYSA-N 0 0 383.279 3.594 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CCOCC1 ZINC000151430177 845205214 /nfs/dbraw/zinc/20/52/14/845205214.db2.gz CCVNPEMDSSWUGK-LPHOPBHVSA-N 0 0 382.508 3.781 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000332984130 845268770 /nfs/dbraw/zinc/26/87/70/845268770.db2.gz ACGKGXCDMVCPPY-YXWQFLTLSA-N 0 0 380.476 3.709 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000151747814 845639549 /nfs/dbraw/zinc/63/95/49/845639549.db2.gz CPKFKQFPCANOBE-QAPCUYQASA-N 0 0 393.487 3.997 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000105009811 845925899 /nfs/dbraw/zinc/92/58/99/845925899.db2.gz WWMIKEPPMJWPTN-UHFFFAOYSA-N 0 0 382.464 3.520 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000151971533 846072748 /nfs/dbraw/zinc/07/27/48/846072748.db2.gz KLKBPWNHJBRMIJ-ZWKOTPCHSA-N 0 0 376.570 3.674 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329558288 861653939 /nfs/dbraw/zinc/65/39/39/861653939.db2.gz CFBQUKCYDIQYMT-HOTGVXAUSA-N 0 0 377.554 3.585 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329558290 861653355 /nfs/dbraw/zinc/65/33/55/861653355.db2.gz CFBQUKCYDIQYMT-JKSUJKDBSA-N 0 0 377.554 3.585 10 0 GHAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277476694 846331440 /nfs/dbraw/zinc/33/14/40/846331440.db2.gz JKTNZEJWNFAWPA-ZWKOTPCHSA-N 0 0 393.915 3.611 10 0 GHAERN O=C(/C=C\c1ccncn1)O[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000588539556 848023141 /nfs/dbraw/zinc/02/31/41/848023141.db2.gz JLAUFWWRRMXRBC-DUQGCJEPSA-N 0 0 384.395 3.873 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000153182444 848241111 /nfs/dbraw/zinc/24/11/11/848241111.db2.gz XLVJOBLYHYKJOK-CQSZACIVSA-N 0 0 385.518 3.751 10 0 GHAERN Cc1cc(NC(=O)CN2NC(=O)CC23CCCCC3)ccc1Br ZINC000329651642 861911805 /nfs/dbraw/zinc/91/18/05/861911805.db2.gz CWXUWDJUMKESQQ-UHFFFAOYSA-N 0 0 380.286 3.976 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)CCO2)o1 ZINC000153478892 848544372 /nfs/dbraw/zinc/54/43/72/848544372.db2.gz GGDDZVVHNCLHKZ-IBGZPJMESA-N 0 0 383.448 3.850 10 0 GHAERN COc1ccccc1/C(C)=C\C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000588562664 848831229 /nfs/dbraw/zinc/83/12/29/848831229.db2.gz JDCQCRAANPFGCW-IKESIWSLSA-N 0 0 384.442 3.878 10 0 GHAERN O=C(CN1CCCC[C@H]1c1nc[nH]n1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000121839308 848840451 /nfs/dbraw/zinc/84/04/51/848840451.db2.gz AIWSABCFQUDMKJ-LBPRGKRZSA-N 0 0 388.686 3.931 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(CN4CCCCC4=O)c3)CCO2)o1 ZINC000153830738 849049569 /nfs/dbraw/zinc/04/95/69/849049569.db2.gz GDNDGWCJELMDKT-FQEVSTJZSA-N 0 0 397.475 3.706 10 0 GHAERN O=C(Nc1nccs1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000044453895 849501497 /nfs/dbraw/zinc/50/14/97/849501497.db2.gz GUIZOIZMBAGEBO-UHFFFAOYSA-N 0 0 384.288 3.941 10 0 GHAERN CC(C)(C)c1nc(CCNC(=O)C[C@H]2Sc3ccccc3NC2=O)cs1 ZINC000155412391 849524102 /nfs/dbraw/zinc/52/41/02/849524102.db2.gz UXLPDMWALITLNJ-OAHLLOKOSA-N 0 0 389.546 3.602 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 ZINC000121700311 849575274 /nfs/dbraw/zinc/57/52/74/849575274.db2.gz ZDWJDXZIJPTVOF-AEGPPILISA-N 0 0 381.402 3.749 10 0 GHAERN Cc1csc2nc(C[S@](=O)[C@@H](C)c3ncc(-c4ccccc4)o3)cc(=O)n12 ZINC000155663775 849584542 /nfs/dbraw/zinc/58/45/42/849584542.db2.gz UMGOOAFQLOZRKT-JGTBNHKDSA-N 0 0 399.497 3.729 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)ccc1Br ZINC000156455552 849918977 /nfs/dbraw/zinc/91/89/77/849918977.db2.gz CYBNSWLXXLWRKV-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333833792 851241719 /nfs/dbraw/zinc/24/17/19/851241719.db2.gz LZOQGARXSKDGQO-OVJDGSIDSA-N 0 0 386.540 3.544 10 0 GHAERN O=C(CSCc1coc(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000101584994 851693281 /nfs/dbraw/zinc/69/32/81/851693281.db2.gz PAIBQQOWRLKOAA-ZWKOTPCHSA-N 0 0 390.480 3.884 10 0 GHAERN C[C@H](Sc1ccc(Br)cc1)c1nc([C@H]2CC(=O)N(C)C2)no1 ZINC000329734079 862274909 /nfs/dbraw/zinc/27/49/09/862274909.db2.gz RCSYTZWPNVOQQP-UWVGGRQHSA-N 0 0 382.283 3.631 10 0 GHAERN CCOC(=O)c1c(C)csc1NC(=O)CCN(Cc1ccccc1)C(C)=O ZINC000101806877 851923251 /nfs/dbraw/zinc/92/32/51/851923251.db2.gz JBNJOTPGFYAIFR-UHFFFAOYSA-N 0 0 388.489 3.611 10 0 GHAERN CC1CCC(N2C[C@H](C(=O)N[C@H]3CCO[C@@H](c4cccs4)C3)CC2=O)CC1 ZINC000333953492 853266765 /nfs/dbraw/zinc/26/67/65/853266765.db2.gz DJIUGQRCZPVWJX-BFYMFYIXSA-N 0 0 390.549 3.512 10 0 GHAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000334098284 854217311 /nfs/dbraw/zinc/21/73/11/854217311.db2.gz UMVFQSDPPPHEIV-UGCZWRCOSA-N 0 0 392.565 3.939 10 0 GHAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)C1 ZINC000334098283 854217339 /nfs/dbraw/zinc/21/73/39/854217339.db2.gz UMVFQSDPPPHEIV-SVMUCYCZSA-N 0 0 392.565 3.939 10 0 GHAERN CCc1csc([C@H]2CCCN(c3nn4c(C)nnc4c4ccccc43)C2)n1 ZINC000328796679 854559999 /nfs/dbraw/zinc/55/99/99/854559999.db2.gz DJCTWGYACAQWAG-AWEZNQCLSA-N 0 0 378.505 3.989 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)CC(C)(C)C1 ZINC000328887062 854598301 /nfs/dbraw/zinc/59/83/01/854598301.db2.gz PDOJCMIAFXNSMX-LMMKCTJWSA-N 0 0 382.508 3.630 10 0 GHAERN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(-c2ccoc2)no1 ZINC000105607424 855125030 /nfs/dbraw/zinc/12/50/30/855125030.db2.gz LUOOVQOCAWDOTJ-UHFFFAOYSA-N 0 0 394.353 3.598 10 0 GHAERN C[C@@H](C(=O)N1CCc2ccccc21)[S@](=O)Cc1csc(Br)c1 ZINC000105692052 855132513 /nfs/dbraw/zinc/13/25/13/855132513.db2.gz HHICRDKAILXNFA-SAHAZLINSA-N 0 0 398.347 3.737 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@H]43)s2)cs1 ZINC000246936706 855164993 /nfs/dbraw/zinc/16/49/93/855164993.db2.gz HKYSLDOXUAQRNT-ZIAGYGMSSA-N 0 0 384.548 3.512 10 0 GHAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000330198161 862656035 /nfs/dbraw/zinc/65/60/35/862656035.db2.gz SWIADEXFDPEXGA-QAPCUYQASA-N 0 0 392.521 3.547 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C[C@H]1C ZINC000190105285 855416845 /nfs/dbraw/zinc/41/68/45/855416845.db2.gz DFUZVFAWTOWKBJ-CHWSQXEVSA-N 0 0 383.286 3.729 10 0 GHAERN CC1(C)C[C@H](N2C(=O)N[C@H](c3ccc4c(c3)CCO4)C2=O)c2ccccc2O1 ZINC000330299101 862760692 /nfs/dbraw/zinc/76/06/92/862760692.db2.gz MCGIHNZJXSUGMY-QFBILLFUSA-N 0 0 378.428 3.721 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000030999826 856136594 /nfs/dbraw/zinc/13/65/94/856136594.db2.gz UBHLQASUELJCJO-ZDUSSCGKSA-N 0 0 395.513 3.934 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1 ZINC000185671034 856403817 /nfs/dbraw/zinc/40/38/17/856403817.db2.gz XVFWAIRFVFROMW-UHFFFAOYSA-N 0 0 375.423 3.541 10 0 GHAERN CC(C)c1c(C(=O)NC[C@@H](O)Cc2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000104915654 856447883 /nfs/dbraw/zinc/44/78/83/856447883.db2.gz HMDIJKIKPJHYDQ-IBGZPJMESA-N 0 0 397.906 3.983 10 0 GHAERN Cc1cc([C@H](C)NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c(C)o1 ZINC000185915190 856473276 /nfs/dbraw/zinc/47/32/76/856473276.db2.gz KZPUXLWCYLVZPB-INIZCTEOSA-N 0 0 385.512 3.711 10 0 GHAERN O=C(CCn1ccc2ccccc21)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000043065416 856480497 /nfs/dbraw/zinc/48/04/97/856480497.db2.gz SUCPLEVDDXHSBS-UHFFFAOYSA-N 0 0 393.462 3.592 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2cccc(F)c2)C2CC2)CC1 ZINC000045198801 856703307 /nfs/dbraw/zinc/70/33/07/856703307.db2.gz OFAWKWBPLIDGHP-UHFFFAOYSA-N 0 0 386.492 3.931 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000247970828 862832675 /nfs/dbraw/zinc/83/26/75/862832675.db2.gz HICLVRHXDGSBIG-BESBDSHLSA-N 0 0 386.536 3.799 10 0 GHAERN O=S(=O)(c1cc(F)c(F)cc1F)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000105618636 856900854 /nfs/dbraw/zinc/90/08/54/856900854.db2.gz CFJXHKOAXXBFJL-HNNXBMFYSA-N 0 0 391.798 3.520 10 0 GHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000105675255 856942509 /nfs/dbraw/zinc/94/25/09/856942509.db2.gz JIYGQXZIPAMQRR-VWLOTQADSA-N 0 0 398.981 3.941 10 0 GHAERN O=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000136782306 857232757 /nfs/dbraw/zinc/23/27/57/857232757.db2.gz NLSRSBBNOGFVEC-HTAPYJJXSA-N 0 0 399.466 3.850 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000158735816 858070065 /nfs/dbraw/zinc/07/00/65/858070065.db2.gz XJVDRGNGZNNPJA-NHCUHLMSSA-N 0 0 397.563 3.603 10 0 GHAERN C[C@@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@H]1CO ZINC000132779260 858794033 /nfs/dbraw/zinc/79/40/33/858794033.db2.gz AIHRXZKCICHLPG-DYVFJYSZSA-N 0 0 396.329 3.674 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000015627162 860138532 /nfs/dbraw/zinc/13/85/32/860138532.db2.gz SJYZLIIRXQHWJS-PKOBYXMFSA-N 0 0 382.485 3.862 10 0 GHAERN O=C(Cc1ccccc1)NCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024384560 860322461 /nfs/dbraw/zinc/32/24/61/860322461.db2.gz YCPDTJXTSCJHIS-GOSISDBHSA-N 0 0 393.512 3.709 10 0 GHAERN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000171429987 860424926 /nfs/dbraw/zinc/42/49/26/860424926.db2.gz FZQCSDKPIGQUBE-GDBMZVCRSA-N 0 0 377.510 3.535 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000172460204 860434018 /nfs/dbraw/zinc/43/40/18/860434018.db2.gz FOUXVNDPHACOET-SVFBPWRDSA-N 0 0 382.508 3.712 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(C)cc3)C2)n1 ZINC000173064329 860629712 /nfs/dbraw/zinc/62/97/12/860629712.db2.gz FECCQGYIOAICIQ-MOPGFXCFSA-N 0 0 397.544 3.657 10 0 GHAERN C[C@@H](NS(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1)c1ccccc1 ZINC000102920121 860902286 /nfs/dbraw/zinc/90/22/86/860902286.db2.gz DGZUJXNUEXMHLR-MRXNPFEDSA-N 0 0 386.517 3.741 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000329020980 860951850 /nfs/dbraw/zinc/95/18/50/860951850.db2.gz HWAGLQAPMUMJJZ-ZENOOKHLSA-N 0 0 377.847 3.523 10 0 GHAERN Nc1nccc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)C2)n1 ZINC000329045989 860973057 /nfs/dbraw/zinc/97/30/57/860973057.db2.gz FTKGDIWCEMVVSS-XBFCOCLRSA-N 0 0 391.302 3.706 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000329079211 860998976 /nfs/dbraw/zinc/99/89/76/860998976.db2.gz BXTVCOJVDZQBRS-APWZRJJASA-N 0 0 390.405 3.927 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)[C@H]3CCCO[C@@H]3c3ccc(C)cc3)CCO2)n1 ZINC000329123435 861041431 /nfs/dbraw/zinc/04/14/31/861041431.db2.gz LLCXFHKPPGZLKR-IPMKNSEASA-N 0 0 386.517 3.828 10 0 GHAERN C[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103750310 864081368 /nfs/dbraw/zinc/08/13/68/864081368.db2.gz ZPFTZEJERUABAN-LLVKDONJSA-N 0 0 376.247 3.802 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(OC2CCCC2)nc1 ZINC000103857038 864086791 /nfs/dbraw/zinc/08/67/91/864086791.db2.gz LTTMMAVPFQDBEN-UHFFFAOYSA-N 0 0 383.492 3.796 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000103860820 864100322 /nfs/dbraw/zinc/10/03/22/864100322.db2.gz ZYIMTTQGVSUZHU-UHFFFAOYSA-N 0 0 398.507 3.609 10 0 GHAERN CC(C)c1noc(-c2ccnc(N3CCC(c4noc(C5CC5)n4)CC3)c2)n1 ZINC000302169196 865745867 /nfs/dbraw/zinc/74/58/67/865745867.db2.gz LCSRWDXKULEAEL-UHFFFAOYSA-N 0 0 380.452 3.899 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000248889877 866534583 /nfs/dbraw/zinc/53/45/83/866534583.db2.gz SNSRIAPKQWXWFW-JJXUHFIVSA-N 0 0 398.528 3.918 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000109674650 866601214 /nfs/dbraw/zinc/60/12/14/866601214.db2.gz HTRXORLSZAFXDG-AGRHKRQWSA-N 0 0 380.492 3.609 10 0 GHAERN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000151113997 866696457 /nfs/dbraw/zinc/69/64/57/866696457.db2.gz ILMGRYQQOBOKSS-SPLOXXLWSA-N 0 0 376.472 3.578 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)c1 ZINC000112107528 866717024 /nfs/dbraw/zinc/71/70/24/866717024.db2.gz OYPUPALWDAWVDM-XLIONFOSSA-N 0 0 384.524 3.661 10 0 GHAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000112264075 866728206 /nfs/dbraw/zinc/72/82/06/866728206.db2.gz DMNMYNQSJLHJQZ-UHFFFAOYSA-N 0 0 388.471 3.817 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000114574050 866768907 /nfs/dbraw/zinc/76/89/07/866768907.db2.gz VVSSVXRKRULDFK-KRWDZBQOSA-N 0 0 382.493 3.924 10 0 GHAERN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632420 882043749 /nfs/dbraw/zinc/04/37/49/882043749.db2.gz ZFWRHHILPACDKP-UHFFFAOYSA-N 0 0 392.444 3.605 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180383965 867209047 /nfs/dbraw/zinc/20/90/47/867209047.db2.gz AUILEIUROVMZBK-FOIQADDNSA-N 0 0 388.899 3.993 10 0 GHAERN CC(C)[C@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)c1nc(C2CC2)no1 ZINC000170811705 882058175 /nfs/dbraw/zinc/05/81/75/882058175.db2.gz UWDXAJZDLICHHQ-YJBOKZPZSA-N 0 0 383.496 3.567 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H](c1ccccc1)c1ccncc1 ZINC000170884497 882063152 /nfs/dbraw/zinc/06/31/52/882063152.db2.gz YOTJVHFTUDAXPX-FPOVZHCZSA-N 0 0 386.455 3.596 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000180432524 867281594 /nfs/dbraw/zinc/28/15/94/867281594.db2.gz YIXVJWMADIXXGY-ORAYPTAESA-N 0 0 394.302 3.946 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c3c2CCCC3)cc1 ZINC000151431120 867478139 /nfs/dbraw/zinc/47/81/39/867478139.db2.gz NXRNPDDWPCHURH-UUOWRZLLSA-N 0 0 393.531 3.827 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC(Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000171615550 882116841 /nfs/dbraw/zinc/11/68/41/882116841.db2.gz XQTSJTOEINUKMC-NRFANRHFSA-N 0 0 399.922 3.784 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2)C[C@@H](C)O1 ZINC000171643639 882119688 /nfs/dbraw/zinc/11/96/88/882119688.db2.gz LTUYLJMZSYCAER-HLIPFELVSA-N 0 0 399.560 3.772 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1)c1cccnc1 ZINC000171643592 882119815 /nfs/dbraw/zinc/11/98/15/882119815.db2.gz DSVLOZICFZYIIO-QGZVFWFLSA-N 0 0 392.484 3.810 10 0 GHAERN Cc1cccc(NC(=O)CSCC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171668194 882123673 /nfs/dbraw/zinc/12/36/73/882123673.db2.gz QBHLBSAERKIGBE-UHFFFAOYSA-N 0 0 397.544 3.543 10 0 GHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000245664394 867831417 /nfs/dbraw/zinc/83/14/17/867831417.db2.gz DPAPKUCKRKJJAP-PVAVHDDUSA-N 0 0 385.512 3.801 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cc2ccccc2s1 ZINC000171545329 882140883 /nfs/dbraw/zinc/14/08/83/882140883.db2.gz JJYQNHSFHCTJLZ-AWEZNQCLSA-N 0 0 381.505 3.721 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000171589207 882142658 /nfs/dbraw/zinc/14/26/58/882142658.db2.gz HKLKRLBDBIVZTJ-SFHVURJKSA-N 0 0 396.882 3.656 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)NCc1csc(-c2ccccc2)n1 ZINC000172126572 882172009 /nfs/dbraw/zinc/17/20/09/882172009.db2.gz KCPNXSBVSSAQSW-KRWDZBQOSA-N 0 0 392.484 3.735 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H](C)c1cccnc1 ZINC000172145845 882173470 /nfs/dbraw/zinc/17/34/70/882173470.db2.gz MHVXYGPAVYHKOE-MRXNPFEDSA-N 0 0 383.467 3.683 10 0 GHAERN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000172446847 882278089 /nfs/dbraw/zinc/27/80/89/882278089.db2.gz AADPGBRPNWMGDO-UHFFFAOYSA-N 0 0 378.480 3.897 10 0 GHAERN C[C@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000172468332 882278777 /nfs/dbraw/zinc/27/87/77/882278777.db2.gz VYNUEHPCBLGIGJ-WMLDXEAASA-N 0 0 390.443 3.828 10 0 GHAERN Cc1csc(C2CCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000172535861 882294431 /nfs/dbraw/zinc/29/44/31/882294431.db2.gz APAAWZVQUSSNGS-UHFFFAOYSA-N 0 0 381.542 3.851 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172706064 882301166 /nfs/dbraw/zinc/30/11/66/882301166.db2.gz DLDGHRPWPUVDAS-ROUUACIJSA-N 0 0 399.491 3.569 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172831211 882311350 /nfs/dbraw/zinc/31/13/50/882311350.db2.gz ZIKCCIGABIYWAN-QFIPXVFZSA-N 0 0 391.515 3.982 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000172863037 882315087 /nfs/dbraw/zinc/31/50/87/882315087.db2.gz BMXFMCCDLMPHHB-UHFFFAOYSA-N 0 0 399.922 3.681 10 0 GHAERN CCNC(=O)c1ccc(NCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000172884824 882317713 /nfs/dbraw/zinc/31/77/13/882317713.db2.gz CUWOVXQMYFDGAA-OAQYLSRUSA-N 0 0 395.503 3.529 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc4cc(F)ccc4oc3=O)C2)cc1 ZINC000173082401 882319809 /nfs/dbraw/zinc/31/98/09/882319809.db2.gz AXSQHCFLOYSAOG-CJNGLKHVSA-N 0 0 381.403 3.959 10 0 GHAERN Cc1c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cccc1N1CCNC1=O ZINC000172994535 882330329 /nfs/dbraw/zinc/33/03/29/882330329.db2.gz DGSBSLNJTRDLIN-UHFFFAOYSA-N 0 0 379.435 3.593 10 0 GHAERN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173511990 882374523 /nfs/dbraw/zinc/37/45/23/882374523.db2.gz HZPVCOFUHVKPKC-LSDHHAIUSA-N 0 0 375.494 3.508 10 0 GHAERN C[C@H](CNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)Cc1cccs1 ZINC000173634462 882388026 /nfs/dbraw/zinc/38/80/26/882388026.db2.gz JLLJTJFSNGHXIN-KRWDZBQOSA-N 0 0 391.581 3.751 10 0 GHAERN Cc1c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)cccc1N1CCNC1=O ZINC000173668710 882390728 /nfs/dbraw/zinc/39/07/28/882390728.db2.gz KRRHMVQMCKEXPE-LDBYXDLTSA-N 0 0 393.487 3.515 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2nc(CC(C)C)no2)cc1 ZINC000173776861 882403459 /nfs/dbraw/zinc/40/34/59/882403459.db2.gz WHGKARKGMVRMHU-KRWDZBQOSA-N 0 0 389.521 3.874 10 0 GHAERN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046483700 870434302 /nfs/dbraw/zinc/43/43/02/870434302.db2.gz NYMVCBHSGXQCTB-VQTJNVASSA-N 0 0 388.471 3.718 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174073240 882422428 /nfs/dbraw/zinc/42/24/28/882422428.db2.gz OCFNQXPXBJFSAQ-DLBZAZTESA-N 0 0 389.515 3.513 10 0 GHAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174073099 882422708 /nfs/dbraw/zinc/42/27/08/882422708.db2.gz SBSXQNQWFVIGRW-LJQANCHMSA-N 0 0 389.515 3.656 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000102723271 870597378 /nfs/dbraw/zinc/59/73/78/870597378.db2.gz WASBBZUCAHARAZ-SFHVURJKSA-N 0 0 376.522 3.786 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)cn1 ZINC000102968188 870869335 /nfs/dbraw/zinc/86/93/35/870869335.db2.gz JKTMXRJCDJTIKN-NRFANRHFSA-N 0 0 396.418 3.977 10 0 GHAERN Cc1cccc2nc(CNC(=O)N3CCC(Nc4ccccc4F)CC3)cn21 ZINC000174822282 882477552 /nfs/dbraw/zinc/47/75/52/882477552.db2.gz WVMFELNFXHYDFN-UHFFFAOYSA-N 0 0 381.455 3.568 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Cn3c(=S)[nH]nc3-c3cccs3)c21 ZINC000103128816 871352916 /nfs/dbraw/zinc/35/29/16/871352916.db2.gz ATWWFHKNVYRGHX-UHFFFAOYSA-N 0 0 397.529 3.818 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)nc1 ZINC000174774268 882502620 /nfs/dbraw/zinc/50/26/20/882502620.db2.gz VSXFDHZZRFHYLC-UHFFFAOYSA-N 0 0 393.491 3.529 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000174920397 882507604 /nfs/dbraw/zinc/50/76/04/882507604.db2.gz RMSJFMBNNFILTJ-KQPPXVQYSA-N 0 0 377.469 3.772 10 0 GHAERN CCCC[C@@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccc(OC)cc1 ZINC000103162686 871416154 /nfs/dbraw/zinc/41/61/54/871416154.db2.gz YVXOVVDRVFDXSB-OAHLLOKOSA-N 0 0 385.917 3.600 10 0 GHAERN C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000175302301 882540053 /nfs/dbraw/zinc/54/00/53/882540053.db2.gz LOGIJNUBWBPPRW-RHSMWYFYSA-N 0 0 378.432 3.544 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)/C=C/c3ccc(NC(C)=O)cc3)C2)c1 ZINC000175404509 882551638 /nfs/dbraw/zinc/55/16/38/882551638.db2.gz VNCNQPQUUAQUKC-YOCVDRLZSA-N 0 0 394.471 3.692 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cnc(-c4ccncc4)s3)C2)c1 ZINC000175402423 882552203 /nfs/dbraw/zinc/55/22/03/882552203.db2.gz MQFQNPLLICKILN-OAHLLOKOSA-N 0 0 395.484 3.852 10 0 GHAERN COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175191550 882556640 /nfs/dbraw/zinc/55/66/40/882556640.db2.gz DYCJTSRRCNXRSR-OAHLLOKOSA-N 0 0 386.471 3.567 10 0 GHAERN COc1c(C)cc(CN(C)Cn2nc(N3CCCC3)sc2=S)cc1C ZINC000101539157 872075936 /nfs/dbraw/zinc/07/59/36/872075936.db2.gz HUWQHDMSTCBSHB-UHFFFAOYSA-N 0 0 378.567 3.989 10 0 GHAERN Cc1c(Cl)cccc1S(=O)(=O)Oc1cccc(Oc2ncccn2)c1 ZINC000101579728 872113158 /nfs/dbraw/zinc/11/31/58/872113158.db2.gz YMSQJAZHSWROPE-UHFFFAOYSA-N 0 0 376.821 3.998 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175501101 882590146 /nfs/dbraw/zinc/59/01/46/882590146.db2.gz AIYNMHGPLACPDY-CGTJXYLNSA-N 0 0 397.437 3.996 10 0 GHAERN CN(Cc1ccc(F)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102027875 872491857 /nfs/dbraw/zinc/49/18/57/872491857.db2.gz SZHYQPNMMFUELA-UHFFFAOYSA-N 0 0 379.476 3.614 10 0 GHAERN Cc1nn2cc(CCCOC(=O)Cc3ccccc3OC(C)C)cnc2c1C ZINC000102191919 872712689 /nfs/dbraw/zinc/71/26/89/872712689.db2.gz YRASRCSOLPUAST-UHFFFAOYSA-N 0 0 381.476 3.852 10 0 GHAERN O=C(Nc1cc(-c2ccccc2)on1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000176205416 882647423 /nfs/dbraw/zinc/64/74/23/882647423.db2.gz GRENXMMBAYHDBP-MRXNPFEDSA-N 0 0 388.431 3.796 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102467380 873121605 /nfs/dbraw/zinc/12/16/05/873121605.db2.gz WWQIYYLZINZWML-UHFFFAOYSA-N 0 0 387.848 3.859 10 0 GHAERN CCO[C@H](CCNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C1CCCC1 ZINC000176508379 882700072 /nfs/dbraw/zinc/70/00/72/882700072.db2.gz DCCYZMPQWGDLBU-RBUKOAKNSA-N 0 0 399.539 3.604 10 0 GHAERN CCO[C@H](CCNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C1CCCC1 ZINC000176508409 882701941 /nfs/dbraw/zinc/70/19/41/882701941.db2.gz DCCYZMPQWGDLBU-RTBURBONSA-N 0 0 399.539 3.604 10 0 GHAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC000102736751 873521408 /nfs/dbraw/zinc/52/14/08/873521408.db2.gz MCCMDENWJJDLEC-LJQANCHMSA-N 0 0 388.464 3.573 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)on1 ZINC000102744425 873526307 /nfs/dbraw/zinc/52/63/07/873526307.db2.gz OGFWKAVINCFZLP-TXEJJXNPSA-N 0 0 383.370 3.868 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3ccc(OC(F)F)cc3)CC2)n1 ZINC000116667512 873614374 /nfs/dbraw/zinc/61/43/74/873614374.db2.gz KGDZIRSGQJKITR-UHFFFAOYSA-N 0 0 389.446 3.709 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)n1 ZINC000116670763 873616052 /nfs/dbraw/zinc/61/60/52/873616052.db2.gz MXWUMSNFXGOTNF-UHFFFAOYSA-N 0 0 376.504 3.979 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000177254034 882777627 /nfs/dbraw/zinc/77/76/27/882777627.db2.gz ZFZMWPNRDVDSND-OAHLLOKOSA-N 0 0 380.448 3.516 10 0 GHAERN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000177395945 882792695 /nfs/dbraw/zinc/79/26/95/882792695.db2.gz QMQQQTGWONUTLK-HUUCEWRRSA-N 0 0 398.898 3.649 10 0 GHAERN C[C@H](CC(=O)N1CC=C(c2cccs2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000117720522 874146328 /nfs/dbraw/zinc/14/63/28/874146328.db2.gz RQCRMPRITBDOAV-CQSZACIVSA-N 0 0 393.505 3.755 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000004305634 874215729 /nfs/dbraw/zinc/21/57/29/874215729.db2.gz COLNNDWZWUSSJR-OAQYLSRUSA-N 0 0 399.878 3.753 10 0 GHAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@H]3c4ccccc4CCC3(C)C)ccc21 ZINC000161782835 874216592 /nfs/dbraw/zinc/21/65/92/874216592.db2.gz APVJDCLNDHZDEX-NRFANRHFSA-N 0 0 398.528 3.588 10 0 GHAERN Cc1nc([C@H](NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2F)no1 ZINC000177340893 882820146 /nfs/dbraw/zinc/82/01/46/882820146.db2.gz KZGHYUDJRAEBKM-QGZVFWFLSA-N 0 0 390.459 3.596 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118138791 874377590 /nfs/dbraw/zinc/37/75/90/874377590.db2.gz PJSDPIIGHPCZMO-UHFFFAOYSA-N 0 0 397.500 3.597 10 0 GHAERN COc1ccccc1CCN(C)C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O ZINC000104457475 874412059 /nfs/dbraw/zinc/41/20/59/874412059.db2.gz GOTOXACKPMOFGL-NRFANRHFSA-N 0 0 378.472 3.660 10 0 GHAERN CSc1cc(C(=O)NCc2cccnc2-n2cncn2)c(Cl)cc1Cl ZINC000177901330 882848057 /nfs/dbraw/zinc/84/80/57/882848057.db2.gz YEBXSSBDNBQNJQ-UHFFFAOYSA-N 0 0 394.287 3.621 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178475152 882895461 /nfs/dbraw/zinc/89/54/61/882895461.db2.gz IJJUWEHSABIOBT-LBPRGKRZSA-N 0 0 381.398 3.591 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCCNc1ncccn1 ZINC000105547226 875327043 /nfs/dbraw/zinc/32/70/43/875327043.db2.gz SOSYVTMGGGMSJS-UHFFFAOYSA-N 0 0 382.367 3.682 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccccc2OCC(F)F)c2ccccc2)[nH]1 ZINC000120087666 875446006 /nfs/dbraw/zinc/44/60/06/875446006.db2.gz JZXOBGRFZQHZSM-QGZVFWFLSA-N 0 0 387.390 3.668 10 0 GHAERN CCSCc1ccnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000179417868 882970082 /nfs/dbraw/zinc/97/00/82/882970082.db2.gz GNLNGMKBYWLWDR-UHFFFAOYSA-N 0 0 389.546 3.887 10 0 GHAERN O=C(Nc1ccccc1)[C@@H]1CCc2ccccc2N1C(=O)c1ncncc1Cl ZINC000179171678 882976844 /nfs/dbraw/zinc/97/68/44/882976844.db2.gz SMZFYWHPQZHKSL-SFHVURJKSA-N 0 0 392.846 3.730 10 0 GHAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)Nc1c[nH]nc1-c1ccccc1 ZINC000179493205 883003375 /nfs/dbraw/zinc/00/33/75/883003375.db2.gz KTAUPYDMRSLTTA-UHFFFAOYSA-N 0 0 389.459 3.521 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000179491028 883003617 /nfs/dbraw/zinc/00/36/17/883003617.db2.gz NLRWJVBBUSHLFL-GOSISDBHSA-N 0 0 384.480 3.659 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000179785687 883027735 /nfs/dbraw/zinc/02/77/35/883027735.db2.gz HCFMQNGVSGELRY-RTBURBONSA-N 0 0 377.444 3.914 10 0 GHAERN CCCOCCOC(=O)c1ccnc(N2CCC[C@H](c3nccs3)C2)c1 ZINC000180227026 883068960 /nfs/dbraw/zinc/06/89/60/883068960.db2.gz FFSGCHWKWZEYBL-INIZCTEOSA-N 0 0 375.494 3.506 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000181011826 883116778 /nfs/dbraw/zinc/11/67/78/883116778.db2.gz KRTCKOCDDVZIFX-RLFDGXBXSA-N 0 0 381.398 3.804 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000121915064 878041549 /nfs/dbraw/zinc/04/15/49/878041549.db2.gz PVHBYHSFEXLHLE-DYESRHJHSA-N 0 0 392.499 3.836 10 0 GHAERN C[C@@H](SCC(=O)N1CCC(Cc2nccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000121953370 878067332 /nfs/dbraw/zinc/06/73/32/878067332.db2.gz SNOKYCGEDZDHCJ-OAHLLOKOSA-N 0 0 397.548 3.572 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000122161603 878408950 /nfs/dbraw/zinc/40/89/50/878408950.db2.gz MKWWJSWSTXBGOD-LAUBAEHRSA-N 0 0 392.499 3.836 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000122360458 878774514 /nfs/dbraw/zinc/77/45/14/878774514.db2.gz COSRVHDJGBQKLJ-YWZLYKJASA-N 0 0 378.472 3.622 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccco3)c2)cs1 ZINC000025514381 879844507 /nfs/dbraw/zinc/84/45/07/879844507.db2.gz WAPVSXYVMPRKFF-KRWDZBQOSA-N 0 0 381.457 3.955 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2ncon2)ccc1OC(F)F ZINC000123262441 880168952 /nfs/dbraw/zinc/16/89/52/880168952.db2.gz ZZBBLJSCRKDSKI-RCQQVGEISA-N 0 0 393.390 3.837 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)CCO1 ZINC000181133096 883148964 /nfs/dbraw/zinc/14/89/64/883148964.db2.gz ROGVSATZMNHENQ-PMACEKPBSA-N 0 0 388.556 3.642 10 0 GHAERN CN(C(=O)CCc1nc(-c2ccsc2)no1)c1ncccc1Br ZINC000183453591 883265750 /nfs/dbraw/zinc/26/57/50/883265750.db2.gz OXJLLIKHZQCBNF-UHFFFAOYSA-N 0 0 393.266 3.551 10 0 GHAERN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)s2)o1 ZINC000183293624 883277061 /nfs/dbraw/zinc/27/70/61/883277061.db2.gz LZDADVFCKLDLAY-RDTXWAMCSA-N 0 0 385.489 3.636 10 0 GHAERN O=C(N[C@@H](CC1CCC1)c1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000183624303 883291141 /nfs/dbraw/zinc/29/11/41/883291141.db2.gz WBPOADBHPWSROO-NRFANRHFSA-N 0 0 396.535 3.696 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCCC2CCCC2)c2ccc(F)cc2C1 ZINC000184021511 883298856 /nfs/dbraw/zinc/29/88/56/883298856.db2.gz NYLFPHWXEQDMBI-HXUWFJFHSA-N 0 0 375.488 3.889 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cccs2)c2ccc(F)cc2C1 ZINC000184034553 883301710 /nfs/dbraw/zinc/30/17/10/883301710.db2.gz WPKVKCFUVHCZBS-YVEFUNNKSA-N 0 0 375.469 3.741 10 0 GHAERN CC[C@@H](NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1nccs1 ZINC000184036760 883302606 /nfs/dbraw/zinc/30/26/06/883302606.db2.gz DLUWWCJOHUHLIF-SJORKVTESA-N 0 0 390.484 3.526 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184038707 883303068 /nfs/dbraw/zinc/30/30/68/883303068.db2.gz MLSWCMUYOSAJAK-FCHUYYIVSA-N 0 0 395.478 3.996 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(F)cc2C1 ZINC000184070585 883314661 /nfs/dbraw/zinc/31/46/61/883314661.db2.gz YFERTLDWOGLCHU-RWENRRORSA-N 0 0 399.510 3.887 10 0 GHAERN COc1cc(C)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1F ZINC000184151267 883324929 /nfs/dbraw/zinc/32/49/29/883324929.db2.gz DLODARKNJZTCGF-UHFFFAOYSA-N 0 0 376.453 3.695 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@H](C)c3ncc(C)s3)C2)c1 ZINC000184456630 883336959 /nfs/dbraw/zinc/33/69/59/883336959.db2.gz AEHUDDUDFSKCRY-DZGCQCFKSA-N 0 0 389.521 3.771 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CCC3)c2ccc(F)cc2C1 ZINC000184835829 883384733 /nfs/dbraw/zinc/38/47/33/883384733.db2.gz JQFYNGMJCPYNQY-NRFANRHFSA-N 0 0 381.451 3.929 10 0 GHAERN COc1cc(F)ccc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184846534 883385931 /nfs/dbraw/zinc/38/59/31/883385931.db2.gz QNISZOJDZGDDBV-KRWDZBQOSA-N 0 0 389.402 3.588 10 0 GHAERN CC(C)[C@H](NC(=O)C=Cc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 ZINC000184794865 883394348 /nfs/dbraw/zinc/39/43/48/883394348.db2.gz KFRBUCAFFQOXQC-LNENJAERSA-N 0 0 388.431 3.535 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC2CCC(C)(C)CC2)c2ccc(F)cc2C1 ZINC000184983350 883409380 /nfs/dbraw/zinc/40/93/80/883409380.db2.gz ZQTLTUKBMSQKOS-LJQANCHMSA-N 0 0 375.488 3.887 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000185296088 883432548 /nfs/dbraw/zinc/43/25/48/883432548.db2.gz NJULUKDMTPDRGQ-UHFFFAOYSA-N 0 0 398.507 3.707 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)Nc1cccc2c1OCC[C@@H]2O ZINC000185371266 883442643 /nfs/dbraw/zinc/44/26/43/883442643.db2.gz CNMUWAULTVNHCT-IHVVCDCBSA-N 0 0 375.837 3.517 10 0 GHAERN COc1ccc(CCCNC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000102559875 883545815 /nfs/dbraw/zinc/54/58/15/883545815.db2.gz BSOYMSONHLMKFE-UHFFFAOYSA-N 0 0 397.450 3.964 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCn2ccc3ccccc32)c2ccc(F)cc2C1 ZINC000185502734 883546388 /nfs/dbraw/zinc/54/63/88/883546388.db2.gz UNWCOBOFWSZPJK-NRFANRHFSA-N 0 0 393.462 3.780 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cccc(Cl)c2F)c2ccc(F)cc2C1 ZINC000185507564 883547368 /nfs/dbraw/zinc/54/73/68/883547368.db2.gz KWRYJONDODXTNM-KRWDZBQOSA-N 0 0 378.806 3.842 10 0 GHAERN CCSc1ccc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cn1 ZINC000185505688 883547820 /nfs/dbraw/zinc/54/78/20/883547820.db2.gz RMIDJKVXORLSGT-SFHVURJKSA-N 0 0 387.480 3.556 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C)c(F)c2)c2ccc(F)cc2C1 ZINC000185516760 883548636 /nfs/dbraw/zinc/54/86/36/883548636.db2.gz IUTWQVORKIMQLP-HXUWFJFHSA-N 0 0 387.430 3.566 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000185542501 883554314 /nfs/dbraw/zinc/55/43/14/883554314.db2.gz AGYQWFPWLBCKRZ-JOCHJYFZSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc3ccc(C)nc32)c2ccc(F)cc2C1 ZINC000185558508 883556365 /nfs/dbraw/zinc/55/63/65/883556365.db2.gz ZOBQKFDLGHATLY-OAQYLSRUSA-N 0 0 391.446 3.906 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185559017 883556721 /nfs/dbraw/zinc/55/67/21/883556721.db2.gz FOPKPZBYFRZLFP-GLBTYYSXSA-N 0 0 396.462 3.847 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cnc(Cc4ccccc4F)s3)CCO2)o1 ZINC000185811515 883576418 /nfs/dbraw/zinc/57/64/18/883576418.db2.gz GBGZWASNAPSATA-KRWDZBQOSA-N 0 0 386.448 3.988 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC(O)(c3ccccc3)CC2)ccc1OC ZINC000185899256 883600737 /nfs/dbraw/zinc/60/07/37/883600737.db2.gz UEIFPPBXVGOHCA-ZRDIBKRKSA-N 0 0 381.472 3.617 10 0 GHAERN COc1ccc(NC(=O)C[C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186064896 883607578 /nfs/dbraw/zinc/60/75/78/883607578.db2.gz IOZJIVKOMRRSFJ-MRXNPFEDSA-N 0 0 376.460 3.659 10 0 GHAERN COc1ccccc1NC(=O)C[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186058480 883607737 /nfs/dbraw/zinc/60/77/37/883607737.db2.gz PJWMYYGICIDXMK-MRXNPFEDSA-N 0 0 376.460 3.659 10 0 GHAERN COC(=O)COc1ccccc1[C@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186052835 883607863 /nfs/dbraw/zinc/60/78/63/883607863.db2.gz JOVUWFGXBUNXKC-INIZCTEOSA-N 0 0 377.444 3.546 10 0 GHAERN COc1ccc([C@H](C)NCc2ncc(-c3ccccc3)cn2)cc1NC(C)=O ZINC000186049294 883608099 /nfs/dbraw/zinc/60/80/99/883608099.db2.gz MRQYSVTUERQIRF-HNNXBMFYSA-N 0 0 376.460 3.961 10 0 GHAERN Cn1cc([C@@H](NC(=O)N2CCC[C@H](c3nccs3)C2)c2ccc(F)cc2)cn1 ZINC000185984161 883612492 /nfs/dbraw/zinc/61/24/92/883612492.db2.gz BBBIYMWJDBGXBM-YJBOKZPZSA-N 0 0 399.495 3.694 10 0 GHAERN CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000186143381 883615622 /nfs/dbraw/zinc/61/56/22/883615622.db2.gz PWDLSEAGZHYMEJ-LJQANCHMSA-N 0 0 387.892 3.727 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1nc(C2CCCCC2)no1 ZINC000186659162 883682209 /nfs/dbraw/zinc/68/22/09/883682209.db2.gz ZTCNPVSJWXLUEG-LBPRGKRZSA-N 0 0 398.467 3.977 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)ccc2NC1=O ZINC000186682624 883686381 /nfs/dbraw/zinc/68/63/81/883686381.db2.gz PEANIBXEBVECCF-MJGOQNOKSA-N 0 0 380.448 3.706 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@H](O)c3ccc4ccccc4c3)ccc2NC1=O ZINC000186693104 883688120 /nfs/dbraw/zinc/68/81/20/883688120.db2.gz NAMKAYZVYMGLEH-FQEVSTJZSA-N 0 0 390.443 3.672 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000186806518 883707464 /nfs/dbraw/zinc/70/74/64/883707464.db2.gz NEHPRAAJCWIHSU-LLVKDONJSA-N 0 0 386.433 3.776 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CC[C@]4(C3)OCc3ccccc34)ccc2[nH]1 ZINC000186993967 883742152 /nfs/dbraw/zinc/74/21/52/883742152.db2.gz HSJUPQIXDSUQOZ-HSZRJFAPSA-N 0 0 390.439 3.616 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccc(-n2cccn2)cc1 ZINC000187374207 883782456 /nfs/dbraw/zinc/78/24/56/883782456.db2.gz ISLANGLTODRXFF-OAHLLOKOSA-N 0 0 396.520 3.676 10 0 GHAERN O=C(NCc1csc(-c2ccco2)n1)N1CCC(Nc2nccs2)CC1 ZINC000187600168 883802478 /nfs/dbraw/zinc/80/24/78/883802478.db2.gz NXZSRNDOIZZSPS-UHFFFAOYSA-N 0 0 389.506 3.646 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccnn2[C@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000187716661 883816176 /nfs/dbraw/zinc/81/61/76/883816176.db2.gz FOPXSSMAROCZAD-BFUOFWGJSA-N 0 0 399.470 3.608 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccccc3CCC(F)(F)F)CC2)n[nH]1 ZINC000188425125 883849815 /nfs/dbraw/zinc/84/98/15/883849815.db2.gz KVMWRPHIKGCNLE-UHFFFAOYSA-N 0 0 381.402 3.567 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 ZINC000188453223 883850517 /nfs/dbraw/zinc/85/05/17/883850517.db2.gz PPJYPUVPTVKRFO-UHFFFAOYSA-N 0 0 386.536 3.513 10 0 GHAERN Cc1cc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c2cnn(C)c2n1 ZINC000188484849 883853306 /nfs/dbraw/zinc/85/33/06/883853306.db2.gz TWDJQILRSPGHPU-UHFFFAOYSA-N 0 0 389.459 3.746 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188734192 883865644 /nfs/dbraw/zinc/86/56/44/883865644.db2.gz HXIJCDHMSRUMDE-BMFZPTHFSA-N 0 0 394.302 3.844 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189084679 883902094 /nfs/dbraw/zinc/90/20/94/883902094.db2.gz SOLOHXVUPJDZGB-FPBOJHQQSA-N 0 0 381.432 3.688 10 0 GHAERN Cc1c(Br)cccc1CC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000189218380 883913992 /nfs/dbraw/zinc/91/39/92/883913992.db2.gz BACFBTDOQUNAJP-HNNXBMFYSA-N 0 0 391.313 3.666 10 0 GHAERN O=C(Nc1ccccc1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)OCc1ccccc1 ZINC000189316570 883935433 /nfs/dbraw/zinc/93/54/33/883935433.db2.gz LMRHQJPMJIRDDO-NSISKUIASA-N 0 0 380.444 3.733 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)C[C@@H]1C ZINC000189500546 883948667 /nfs/dbraw/zinc/94/86/67/883948667.db2.gz FVLVXHYYWKPSKK-HOCLYGCPSA-N 0 0 393.915 3.993 10 0 GHAERN COCCc1ccccc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000189418488 883953420 /nfs/dbraw/zinc/95/34/20/883953420.db2.gz LUNLHZYYKNQAPS-OAQYLSRUSA-N 0 0 399.466 3.630 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)CCO2)cn1 ZINC000189659338 883984080 /nfs/dbraw/zinc/98/40/80/883984080.db2.gz IRPSOSSEFQZZGC-VQTJNVASSA-N 0 0 382.508 3.700 10 0 GHAERN C[C@@H](CC(=O)N1CC2(CCOCC2)c2ccccc21)NC(=O)C1CCCCC1 ZINC000189807812 884012200 /nfs/dbraw/zinc/01/22/00/884012200.db2.gz WQSZDWSXXWLAMD-KRWDZBQOSA-N 0 0 384.520 3.557 10 0 GHAERN CC(C)[C@H](NC(=O)c1cccs1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189813396 884013430 /nfs/dbraw/zinc/01/34/30/884013430.db2.gz VRRNGWQNYRTOND-IBGZPJMESA-N 0 0 398.528 3.598 10 0 GHAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189838358 884016577 /nfs/dbraw/zinc/01/65/77/884016577.db2.gz DIWSLSMIQSYLOG-IBGZPJMESA-N 0 0 384.520 3.509 10 0 GHAERN O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189966155 884027914 /nfs/dbraw/zinc/02/79/14/884027914.db2.gz WWHUKCIMYSYULP-HUUCEWRRSA-N 0 0 390.434 3.609 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000190059480 884047008 /nfs/dbraw/zinc/04/70/08/884047008.db2.gz HEKHLCOQEFOYFN-SJLPKXTDSA-N 0 0 383.473 3.612 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375913 884073512 /nfs/dbraw/zinc/07/35/12/884073512.db2.gz TXNKJFZSPDDGRE-BJLQDIEVSA-N 0 0 383.492 3.677 10 0 GHAERN COc1ccc(SCCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190395451 884076242 /nfs/dbraw/zinc/07/62/42/884076242.db2.gz BXBAJLOKHVANRR-UHFFFAOYSA-N 0 0 377.535 3.737 10 0 GHAERN O=C(c1cnn(-c2ccccc2)c1C1CC1)N1CCC(Nc2nccs2)CC1 ZINC000190440974 884081988 /nfs/dbraw/zinc/08/19/88/884081988.db2.gz VZGUFAVMPDARFX-UHFFFAOYSA-N 0 0 393.516 3.923 10 0 GHAERN CC(C)CCOc1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000190741608 884119159 /nfs/dbraw/zinc/11/91/59/884119159.db2.gz VVPYVNNVDJGYLD-UHFFFAOYSA-N 0 0 394.431 3.739 10 0 GHAERN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000190947117 884133600 /nfs/dbraw/zinc/13/36/00/884133600.db2.gz WIEPYFQEGWLMFT-UHFFFAOYSA-N 0 0 382.847 3.570 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)n1 ZINC000191787701 884212034 /nfs/dbraw/zinc/21/20/34/884212034.db2.gz LELFAHIYNPPMQT-UHFFFAOYSA-N 0 0 375.860 3.555 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000191796518 884212157 /nfs/dbraw/zinc/21/21/57/884212157.db2.gz IJTHNROIQLRAEY-UONOGXRCSA-N 0 0 381.542 3.707 10 0 GHAERN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)n1 ZINC000192357611 884252824 /nfs/dbraw/zinc/25/28/24/884252824.db2.gz ZDNCYCQZEGMQBY-YGRLFVJLSA-N 0 0 377.293 3.567 10 0 GHAERN CC(C)c1cnc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000192389763 884255707 /nfs/dbraw/zinc/25/57/07/884255707.db2.gz MUBLWLBZMNSWNQ-UHFFFAOYSA-N 0 0 378.542 3.913 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCC1CCC2(CC1)OCCO2 ZINC000192626071 884271725 /nfs/dbraw/zinc/27/17/25/884271725.db2.gz WTZNDMZWQQEXMA-SFHVURJKSA-N 0 0 390.528 3.587 10 0 GHAERN CCCNc1ccc(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000193030085 884321432 /nfs/dbraw/zinc/32/14/32/884321432.db2.gz JZEIUYCSHLKTNP-ZDUSSCGKSA-N 0 0 380.414 3.672 10 0 GHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000193199368 884342935 /nfs/dbraw/zinc/34/29/35/884342935.db2.gz DMONDOUYPZFMNF-KBPBESRZSA-N 0 0 388.455 3.838 10 0 GHAERN Fc1ccc(-n2ncc3c2ncnc3SCc2nc(-c3ccoc3)no2)cc1 ZINC000105573110 884813639 /nfs/dbraw/zinc/81/36/39/884813639.db2.gz UPPQSGZXDWDCFE-UHFFFAOYSA-N 0 0 394.391 3.890 10 0 GHAERN COC(=O)CC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1 ZINC000105987769 884940856 /nfs/dbraw/zinc/94/08/56/884940856.db2.gz BJMFHHDANOGMBT-LJQANCHMSA-N 0 0 377.444 3.605 10 0 GHAERN CCc1c(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)[nH]c(C)c1C(C)=O ZINC000103974280 885205590 /nfs/dbraw/zinc/20/55/90/885205590.db2.gz YWAWUIHFPPQGQE-OAHLLOKOSA-N 0 0 385.483 3.746 10 0 GHAERN O=C(Nc1ccccc1COc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000101748550 885953507 /nfs/dbraw/zinc/95/35/07/885953507.db2.gz CYEMEKJOLNEVDH-UHFFFAOYSA-N 0 0 377.448 3.726 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000103064399 885985062 /nfs/dbraw/zinc/98/50/62/885985062.db2.gz GGGHNIRYLFLPCG-MRXNPFEDSA-N 0 0 378.476 3.638 10 0 GHAERN Cc1nnc([C@H](NC(=O)C=Cc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000104403699 886003100 /nfs/dbraw/zinc/00/31/00/886003100.db2.gz VCAMPQNSKRYBMP-TZZQJPOUSA-N 0 0 375.457 3.642 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@@H](COCC(C)C)c2ccco2)c2ccccc2)[nH]1 ZINC000105219352 886013650 /nfs/dbraw/zinc/01/36/50/886013650.db2.gz ZAJXCNHEVMYJPH-PKOBYXMFSA-N 0 0 397.479 3.509 10 0 GHAERN Cc1nc(C[S@@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cs1 ZINC000105682942 886018999 /nfs/dbraw/zinc/01/89/99/886018999.db2.gz LSQZYJUNHLIMKF-VWLOTQADSA-N 0 0 387.408 3.969 10 0 GHAERN Cc1c(C(=O)N[C@H](C)c2ccncc2)cnn1-c1cccc(Br)c1 ZINC000106010215 886022883 /nfs/dbraw/zinc/02/28/83/886022883.db2.gz HRLHBPINFJNUSD-GFCCVEGCSA-N 0 0 385.265 3.829 10 0 GHAERN CN(C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H](c1ccccc1)c1ccccn1 ZINC000109072278 886099556 /nfs/dbraw/zinc/09/95/56/886099556.db2.gz NIKYNMPJBHRINC-PZJWPPBQSA-N 0 0 393.531 3.914 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110217296 886189706 /nfs/dbraw/zinc/18/97/06/886189706.db2.gz IVUVIFSKFORVMO-GJZGRUSLSA-N 0 0 391.302 3.672 10 0 GHAERN NC(=O)CCSc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114814619 886329188 /nfs/dbraw/zinc/32/91/88/886329188.db2.gz GOBCUDLMZJTWPO-ZDUSSCGKSA-N 0 0 390.534 3.522 10 0 GHAERN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1C ZINC000117631172 886387981 /nfs/dbraw/zinc/38/79/81/886387981.db2.gz NGNHHAGTLWFCMJ-BFUOFWGJSA-N 0 0 388.489 3.650 10 0 GHAERN C[C@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccc2ccccc2c1 ZINC000118956361 886417537 /nfs/dbraw/zinc/41/75/37/886417537.db2.gz AESIDHPKNNRTJK-KRWDZBQOSA-N 0 0 375.476 3.613 10 0 GHAERN Cc1[nH]cc(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)c(=O)c1Br ZINC000119771570 886477030 /nfs/dbraw/zinc/47/70/30/886477030.db2.gz XTCBGHVKXMLBNF-ZANVPECISA-N 0 0 397.294 3.522 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000120234929 886509888 /nfs/dbraw/zinc/50/98/88/886509888.db2.gz NFWKZVIIIBUJJC-GJZGRUSLSA-N 0 0 390.455 3.505 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NC[C@H]3CCCn4cc(C)nc43)C2)n1 ZINC000332721318 886539847 /nfs/dbraw/zinc/53/98/47/886539847.db2.gz ZBLVXMFNVKUOAQ-CVEARBPZSA-N 0 0 387.553 3.677 10 0 GHAERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)CCC2 ZINC000332788434 886545121 /nfs/dbraw/zinc/54/51/21/886545121.db2.gz MKQRSSPEFDBVDV-SZMVWBNQSA-N 0 0 388.899 3.552 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000332841671 886552996 /nfs/dbraw/zinc/55/29/96/886552996.db2.gz KMGWLLGQDWVRPI-DNOBIOAJSA-N 0 0 386.521 3.935 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)C[C@@H](C)O1 ZINC000332927589 886562812 /nfs/dbraw/zinc/56/28/12/886562812.db2.gz MHDRSAIRAXJORG-RKVPGOIHSA-N 0 0 383.496 3.522 10 0 GHAERN CN(C(=O)c1cccc(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c1)c1ccccc1 ZINC000122375548 886586553 /nfs/dbraw/zinc/58/65/53/886586553.db2.gz VYIBOCTXTXBYRW-NQIIRXRSSA-N 0 0 393.487 3.996 10 0 GHAERN C[C@H](OCCCNC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000123359268 886626050 /nfs/dbraw/zinc/62/60/50/886626050.db2.gz BKPMRNGQHRDMNT-SFHVURJKSA-N 0 0 384.524 3.552 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3cccc(NC(C)=O)c3)C2)cc1 ZINC000123639852 886657498 /nfs/dbraw/zinc/65/74/98/886657498.db2.gz NDDJOINTYNNWGS-DNVCBOLYSA-N 0 0 381.476 3.741 10 0 GHAERN CCCO[C@H]1CCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000124490155 886754873 /nfs/dbraw/zinc/75/48/73/886754873.db2.gz UJFXNDUSNZOZJJ-YJBOKZPZSA-N 0 0 390.459 3.597 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124547741 886764461 /nfs/dbraw/zinc/76/44/61/886764461.db2.gz DNCAUUTWPPFSMQ-FQEVSTJZSA-N 0 0 398.890 3.756 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c2ccccc2F)no1 ZINC000124696647 886785885 /nfs/dbraw/zinc/78/58/85/886785885.db2.gz JYJAROOVRUTROK-SGTLLEGYSA-N 0 0 384.411 3.715 10 0 GHAERN Cc1cc(C)nc(SCC(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000042732888 886808831 /nfs/dbraw/zinc/80/88/31/886808831.db2.gz QGOAOKFWGJKSJZ-FQEVSTJZSA-N 0 0 378.501 3.829 10 0 GHAERN C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000042929323 886823966 /nfs/dbraw/zinc/82/39/66/886823966.db2.gz YOVNZNCKUKXSAD-PKOBYXMFSA-N 0 0 377.492 3.640 10 0 GHAERN C[C@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000125362951 886857810 /nfs/dbraw/zinc/85/78/10/886857810.db2.gz YRISYWKNDFOXJJ-GDBMZVCRSA-N 0 0 385.489 3.522 10 0 GHAERN CCNC(=O)COc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000044169290 886932402 /nfs/dbraw/zinc/93/24/02/886932402.db2.gz JTHFENGTUYQJKN-UHFFFAOYSA-N 0 0 379.460 3.523 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)NCCC(=O)Nc3ccc(C)cn3)cs2)cc1 ZINC000126281552 886953249 /nfs/dbraw/zinc/95/32/49/886953249.db2.gz UNZCNDMJRAIZMK-UHFFFAOYSA-N 0 0 394.500 3.509 10 0 GHAERN CC(C)(CO)[C@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000126966763 887018066 /nfs/dbraw/zinc/01/80/66/887018066.db2.gz WHWXEIQBEHPPLS-QZTJIDSGSA-N 0 0 387.549 3.834 10 0 GHAERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000127376916 887056055 /nfs/dbraw/zinc/05/60/55/887056055.db2.gz RFZNVUXHMVXSQB-UHFFFAOYSA-N 0 0 398.463 3.881 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000127888755 887116222 /nfs/dbraw/zinc/11/62/22/887116222.db2.gz CJEMOLRJRNJTCF-IBGZPJMESA-N 0 0 377.448 3.569 10 0 GHAERN COc1ccc([C@@H](C)CCNC(=O)N2CCC(Cc3nccn3C)CC2)cc1 ZINC000128168341 887152643 /nfs/dbraw/zinc/15/26/43/887152643.db2.gz XVUBELKWVCYDIQ-KRWDZBQOSA-N 0 0 384.524 3.587 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000105001397 887205351 /nfs/dbraw/zinc/20/53/51/887205351.db2.gz URUHGNCPIFPZKC-UHFFFAOYSA-N 0 0 383.370 3.738 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)Nc2cnn(-c3ccccc3F)c2C)cc1 ZINC000129549859 887319000 /nfs/dbraw/zinc/31/90/00/887319000.db2.gz DOHHIQBEMXHRMZ-FMIVXFBMSA-N 0 0 378.407 3.930 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)CCc2nc(-c3cccnc3)no2)n1 ZINC000047493299 887325053 /nfs/dbraw/zinc/32/50/53/887325053.db2.gz HHVVNYFIILGMGQ-UHFFFAOYSA-N 0 0 388.431 3.505 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000047583003 887341335 /nfs/dbraw/zinc/34/13/35/887341335.db2.gz VGFSOJVTTBGZMX-UHFFFAOYSA-N 0 0 391.487 3.871 10 0 GHAERN CCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000047764441 887364002 /nfs/dbraw/zinc/36/40/02/887364002.db2.gz CDYYLBPIHUDESR-MRXNPFEDSA-N 0 0 379.464 3.848 10 0 GHAERN O=C(c1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130460689 887435774 /nfs/dbraw/zinc/43/57/74/887435774.db2.gz IFTDIWFZZYMCHS-XJKSGUPXSA-N 0 0 380.460 3.617 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000124910898 887510229 /nfs/dbraw/zinc/51/02/29/887510229.db2.gz MFTDGWXTMPICKW-RYUDHWBXSA-N 0 0 375.460 3.985 10 0 GHAERN CCS[C@H](C)c1noc(C[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)n1 ZINC000133069214 887728037 /nfs/dbraw/zinc/72/80/37/887728037.db2.gz JQFDVZIEYVBVHN-RYZVSIALSA-N 0 0 392.506 3.691 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)n1 ZINC000133069011 887728270 /nfs/dbraw/zinc/72/82/70/887728270.db2.gz JQFDVZIEYVBVHN-QDXKXIGTSA-N 0 0 392.506 3.691 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000133365605 887754988 /nfs/dbraw/zinc/75/49/88/887754988.db2.gz CTBGUWAXPHFECX-QFBILLFUSA-N 0 0 385.439 3.724 10 0 GHAERN CC[C@H](NC(=O)NCc1ccc(Cn2ccccc2=O)cc1)c1nc(C)cs1 ZINC000105183863 887780741 /nfs/dbraw/zinc/78/07/41/887780741.db2.gz BOFNEZQQAQQDOC-SFHVURJKSA-N 0 0 396.516 3.612 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000134333076 887860922 /nfs/dbraw/zinc/86/09/22/887860922.db2.gz OXCLUWKZNWKMSW-JTHBVZDNSA-N 0 0 389.499 3.602 10 0 GHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134351511 887862898 /nfs/dbraw/zinc/86/28/98/887862898.db2.gz CJPYBNCYTXGXMT-FXAWDEMLSA-N 0 0 398.551 3.772 10 0 GHAERN Cc1cc(S(C)(=O)=O)cc(C(=O)N2CC=C(c3cccs3)CC2)c1C ZINC000135130818 887946458 /nfs/dbraw/zinc/94/64/58/887946458.db2.gz BTPRRZWHYAUPBC-UHFFFAOYSA-N 0 0 375.515 3.698 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000135316297 888228959 /nfs/dbraw/zinc/22/89/59/888228959.db2.gz QNPJKOJJECUTLD-UHFFFAOYSA-N 0 0 396.466 3.918 10 0 GHAERN O=C(NCCc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000054026253 888261132 /nfs/dbraw/zinc/26/11/32/888261132.db2.gz RFOUXHSSYAVMPD-UHFFFAOYSA-N 0 0 391.943 3.707 10 0 GHAERN COc1ccc(NC(=O)N2CCCN(c3nc(C)cs3)CC2)cc1Cl ZINC000056529899 888364932 /nfs/dbraw/zinc/36/49/32/888364932.db2.gz PSYJEEPKNMCBHX-UHFFFAOYSA-N 0 0 380.901 3.858 10 0 GHAERN CN1CC[C@H](CNC(=O)C2(c3cccc(F)c3)CCOCC2)c2ccccc21 ZINC000057248161 888394640 /nfs/dbraw/zinc/39/46/40/888394640.db2.gz PNTNYJRVUWMIJP-QGZVFWFLSA-N 0 0 382.479 3.614 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000193689734 888516905 /nfs/dbraw/zinc/51/69/05/888516905.db2.gz TZQUTZJTAKXZLB-UHFFFAOYSA-N 0 0 383.374 3.566 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000193797755 888525383 /nfs/dbraw/zinc/52/53/83/888525383.db2.gz CHJPCZXOJXEYAK-ZWKOTPCHSA-N 0 0 398.503 3.710 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000194851769 888625831 /nfs/dbraw/zinc/62/58/31/888625831.db2.gz FDNGCYOWQSYZIM-ICSRJNTNSA-N 0 0 383.492 3.783 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N1CCC(OC2CCCC2)CC1 ZINC000195398871 888660168 /nfs/dbraw/zinc/66/01/68/888660168.db2.gz KNTMHAFKZDEAOG-KPKJPENVSA-N 0 0 382.504 3.542 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)cc2)n1 ZINC000195488716 888670778 /nfs/dbraw/zinc/67/07/78/888670778.db2.gz WQWCQXWNOAQSNR-CTNGQTDRSA-N 0 0 389.455 3.852 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000245556810 888933510 /nfs/dbraw/zinc/93/35/10/888933510.db2.gz SEHBBIJZTSNREJ-LRQRDZAKSA-N 0 0 393.487 3.580 10 0 GHAERN CN1CC[C@H](NC(=O)CCC(=O)c2cccs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245692383 889289082 /nfs/dbraw/zinc/28/90/82/889289082.db2.gz PBVKIRUSNPOUKG-HNAYVOBHSA-N 0 0 378.444 3.551 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C(C)C ZINC000245701616 889292636 /nfs/dbraw/zinc/29/26/36/889292636.db2.gz VLXFGPJXJSCHEL-MISYRCLQSA-N 0 0 384.524 3.581 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245728843 889523070 /nfs/dbraw/zinc/52/30/70/889523070.db2.gz ALWCRTSXXYSEMN-VHKYSDTDSA-N 0 0 388.414 3.626 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccccc2OC(F)F)cn1 ZINC000065727944 889961780 /nfs/dbraw/zinc/96/17/80/889961780.db2.gz LNQILLCDQZMWMF-VQHVLOKHSA-N 0 0 384.386 3.507 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)N[C@@H](C)c2nc(C)cs2)C1 ZINC000245927694 890030785 /nfs/dbraw/zinc/03/07/85/890030785.db2.gz IFJXTCRDSQUJCK-USXIJHARSA-N 0 0 387.505 3.501 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000246028884 890206698 /nfs/dbraw/zinc/20/66/98/890206698.db2.gz NIKHIQINILKNJI-XYJFISCASA-N 0 0 383.448 3.524 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246131285 890444663 /nfs/dbraw/zinc/44/46/63/890444663.db2.gz XWQWQBZDRGBJJS-DLBZAZTESA-N 0 0 381.524 3.943 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000246146199 890475317 /nfs/dbraw/zinc/47/53/17/890475317.db2.gz SMRLYQJOPVQJCN-OKDNKWQNSA-N 0 0 382.863 3.520 10 0 GHAERN CO[C@@H]1CC[C@H]2OCCN(Cc3c(Cl)n(C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246194363 890650233 /nfs/dbraw/zinc/65/02/33/890650233.db2.gz LKHKBAKTTJZNAY-KBAYOESNSA-N 0 0 375.900 3.509 10 0 GHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246567178 891286555 /nfs/dbraw/zinc/28/65/55/891286555.db2.gz LHBVPINXSXUAQG-RPVQJOFSSA-N 0 0 391.874 3.789 10 0 GHAERN Cc1nnc([C@H]2Cc3ccccc3CN2C[C@H]2CN(c3ccccc3)C(=O)O2)o1 ZINC000246701797 891298913 /nfs/dbraw/zinc/29/89/13/891298913.db2.gz KSYICIWBTQWPTA-VQTJNVASSA-N 0 0 390.443 3.503 10 0 GHAERN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)c1)n1cccn1 ZINC000246717957 891300303 /nfs/dbraw/zinc/30/03/03/891300303.db2.gz NXWXTKVQWQIWII-QEEYODRMSA-N 0 0 390.443 3.586 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)cc2)CCO1 ZINC000246816071 891310460 /nfs/dbraw/zinc/31/04/60/891310460.db2.gz WWIADPLKTZEZSS-JBYIUTFZSA-N 0 0 395.503 3.906 10 0 GHAERN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867955 891318086 /nfs/dbraw/zinc/31/80/86/891318086.db2.gz FJKIIEUQVGXHPR-OXQOHEQNSA-N 0 0 399.922 3.725 10 0 GHAERN CC[C@H](C)[C@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000248049159 891407624 /nfs/dbraw/zinc/40/76/24/891407624.db2.gz NMUJXEFGXFHGDS-NOXFTYBFSA-N 0 0 378.516 3.981 10 0 GHAERN CO[C@H](C)CN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000248439102 891436777 /nfs/dbraw/zinc/43/67/77/891436777.db2.gz UAMKKTRYZIQAQV-DOMZBBRYSA-N 0 0 380.286 3.595 10 0 GHAERN CCOC(=O)c1csc([C@@H]2CCCN2C[C@@H](O)c2cccc(Cl)c2)n1 ZINC000248820003 891471977 /nfs/dbraw/zinc/47/19/77/891471977.db2.gz VJQFAKBZUXQCJF-JKSUJKDBSA-N 0 0 380.897 3.844 10 0 GHAERN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248841281 891475015 /nfs/dbraw/zinc/47/50/15/891475015.db2.gz QUIQVYAVMBYIDP-HMFYCAOWSA-N 0 0 388.508 3.500 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c2ccccc21 ZINC000332968296 893386583 /nfs/dbraw/zinc/38/65/83/893386583.db2.gz JARARHULVIEHNU-OGNFBWPZSA-N 0 0 397.498 3.673 10 0 GHAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000101996035 897987303 /nfs/dbraw/zinc/98/73/03/897987303.db2.gz LSRDORNNAOWPDH-KSSFIOAISA-N 0 0 377.916 3.665 10 0 GHAERN COc1ccc(CNC(=O)N(C)Cc2ccc(Cl)nc2)cc1Br ZINC000102052925 897991289 /nfs/dbraw/zinc/99/12/89/897991289.db2.gz MSXSEGRMUTWFGN-UHFFFAOYSA-N 0 0 398.688 3.848 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCc3nc(-c4cccs4)no3)c21 ZINC000103129273 898067416 /nfs/dbraw/zinc/06/74/16/898067416.db2.gz SGEYRKGBXCYRIG-UHFFFAOYSA-N 0 0 380.473 3.879 10 0 GHAERN COc1ccccc1C(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000103299558 898083115 /nfs/dbraw/zinc/08/31/15/898083115.db2.gz KIICTYWQEGZAIO-HNNXBMFYSA-N 0 0 379.464 3.571 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000104266538 898134448 /nfs/dbraw/zinc/13/44/48/898134448.db2.gz RPFGNUYBICFJNV-KSSFIOAISA-N 0 0 389.459 3.812 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N(Cc2ccco2)C2CCCC2)c1 ZINC000105251354 898203802 /nfs/dbraw/zinc/20/38/02/898203802.db2.gz NAGMHOMZFQRZBB-UHFFFAOYSA-N 0 0 385.464 3.771 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)c1ccc(Br)cc1)CCC2 ZINC000332696750 899857457 /nfs/dbraw/zinc/85/74/57/899857457.db2.gz ZJTNRUAITIJDCC-UKRRQHHQSA-N 0 0 391.313 3.892 10 0 GHAERN FC(F)(F)c1cccc(-c2noc(CN3CCCC[C@H]3c3nc[nH]n3)n2)c1 ZINC000121780572 901675245 /nfs/dbraw/zinc/67/52/45/901675245.db2.gz PRHPHJKCZLOXRU-ZDUSSCGKSA-N 0 0 378.358 3.601 10 0 GHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000333366209 902038815 /nfs/dbraw/zinc/03/88/15/902038815.db2.gz YNBNFUNSTZYWSN-ZYSHUDEJSA-N 0 0 381.524 3.902 10 0 GHAERN Cc1cc2c(Br)ccnc2cc1N1CCC(C)(C)S(=O)(=O)CC1 ZINC000333688005 902271531 /nfs/dbraw/zinc/27/15/31/902271531.db2.gz MEPTUNYARHAPLV-UHFFFAOYSA-N 0 0 397.338 3.709 10 0 GHAERN O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000175706394 905642777 /nfs/dbraw/zinc/64/27/77/905642777.db2.gz NUWFXPPSQJCWFB-UHFFFAOYSA-N 0 0 398.488 3.581 10 0 GHAERN CCOc1ccc(-c2nc(CC(=O)N3CCCC[C@H]3c3nc[nH]n3)cs2)cc1 ZINC000181166057 906930405 /nfs/dbraw/zinc/93/04/05/906930405.db2.gz BRJNHDLCLPHXKS-KRWDZBQOSA-N 0 0 397.504 3.623 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000189391374 908315121 /nfs/dbraw/zinc/31/51/21/908315121.db2.gz WYCDJMANRKRRCB-ZWKOTPCHSA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000190050618 908413288 /nfs/dbraw/zinc/41/32/88/908413288.db2.gz ZRBULVNGXBTXGM-OALUTQOASA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2occc2CSc2ccccc2)C1 ZINC000190057329 908414628 /nfs/dbraw/zinc/41/46/28/908414628.db2.gz IXDVIAZZLJXJKK-NVXWUHKLSA-N 0 0 399.472 3.866 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000190075056 908420536 /nfs/dbraw/zinc/42/05/36/908420536.db2.gz DWBWKIYOIGYSGO-QUCCMNQESA-N 0 0 377.444 3.571 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000190112180 908428379 /nfs/dbraw/zinc/42/83/79/908428379.db2.gz JZTHATBYYDCSDE-PXNSSMCTSA-N 0 0 390.443 3.943 10 0 GHAERN CCCOc1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1Cl ZINC000190121944 908431515 /nfs/dbraw/zinc/43/15/15/908431515.db2.gz RBYZHJQMQMDYMS-ZFWWWQNUSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(Cl)c2OC(C)C)C1 ZINC000190130495 908434304 /nfs/dbraw/zinc/43/43/04/908434304.db2.gz PDTKOHMQORGZJM-WFASDCNBSA-N 0 0 394.859 3.813 10 0 GHAERN FC(F)(F)Cn1nnnc1CN1CCC[C@@H]1c1nc(C2CCCCC2)co1 ZINC000372992024 925804994 /nfs/dbraw/zinc/80/49/94/925804994.db2.gz HUWGKRAYNNHLPO-CQSZACIVSA-N 0 0 384.406 3.608 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182278857 1014568955 /nfs/dbraw/zinc/56/89/55/1014568955.db2.gz VIZRMWDFXSZLGE-ZNMIVQPWSA-N 0 0 399.461 3.972 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N([C@@H](C)C(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185253214 1014577552 /nfs/dbraw/zinc/57/75/52/1014577552.db2.gz OOQCQNYSDFMLGC-XOBRGWDASA-N 0 0 375.488 3.838 10 0 GHAERN COc1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1Cl ZINC000185530677 1014585419 /nfs/dbraw/zinc/58/54/19/1014585419.db2.gz MKCYFORCULJZRB-SFHVURJKSA-N 0 0 390.842 3.711 10 0 GHAERN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)cc1 ZINC000004618393 204058192 /nfs/dbraw/zinc/05/81/92/204058192.db2.gz KQIRRLSFUGSOQL-UHFFFAOYSA-N 0 0 381.457 3.752 10 0 GHAERN C[C@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000005920793 204156694 /nfs/dbraw/zinc/15/66/94/204156694.db2.gz BFWXVVPJWJZVTH-CGTJXYLNSA-N 0 0 377.440 3.760 10 0 GHAERN COc1cc(C(=O)N(C)C2CCCCC2)c(Br)c(OC)c1OC ZINC000005659436 204144816 /nfs/dbraw/zinc/14/48/16/204144816.db2.gz YBJISZPRWOCLQH-UHFFFAOYSA-N 0 0 386.286 3.880 10 0 GHAERN COc1ccc(Cn2c3ccccc3c(C[NH2+]C[C@H]3CCCO3)c2C(=O)[O-])cc1 ZINC000006794048 204206604 /nfs/dbraw/zinc/20/66/04/204206604.db2.gz QVRMMYGURDNUEP-GOSISDBHSA-N 0 0 394.471 3.665 10 0 GHAERN COc1cc(NC(=O)COc2ccc(C)cc2)c(OC)cc1Br ZINC000006213355 204170705 /nfs/dbraw/zinc/17/07/05/204170705.db2.gz GPZNZNYNNMKWBU-UHFFFAOYSA-N 0 0 380.238 3.792 10 0 GHAERN COc1cc(-c2cc(-c3ccco3)c3c(N)ncnc3n2)cc(OC)c1OC ZINC000009694475 204320717 /nfs/dbraw/zinc/32/07/17/204320717.db2.gz AKOPMFRKHHMDFS-UHFFFAOYSA-N 0 0 378.388 3.560 10 0 GHAERN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)CC1=O ZINC000010461909 204335620 /nfs/dbraw/zinc/33/56/20/204335620.db2.gz IGTSDBDDAPGEEG-GOSISDBHSA-N 0 0 393.487 3.550 10 0 GHAERN Cc1ccc(N[C@H]2CCCN(C(=O)COc3ncnc4ccccc43)C2)cc1C ZINC000011873720 204358951 /nfs/dbraw/zinc/35/89/51/204358951.db2.gz CEUDMLYIORIMOB-IBGZPJMESA-N 0 0 390.487 3.729 10 0 GHAERN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CCNC(=O)c1ccccc1F ZINC000012089713 204371581 /nfs/dbraw/zinc/37/15/81/204371581.db2.gz QXQASEFKQQWUTN-UHFFFAOYSA-N 0 0 392.352 3.898 10 0 GHAERN Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)c1ccc(CN(C)C)o1 ZINC000012193574 204381062 /nfs/dbraw/zinc/38/10/62/204381062.db2.gz XKRSTUMIPSUWEM-HNNXBMFYSA-N 0 0 399.539 3.700 10 0 GHAERN CC(C)NC(=O)c1cn(C2CCCC2)cc(C(=O)N2CCCCCCC2)c1=O ZINC000012278810 204389917 /nfs/dbraw/zinc/38/99/17/204389917.db2.gz MAGZWAVKCYTKFV-UHFFFAOYSA-N 0 0 387.524 3.508 10 0 GHAERN COC(=O)c1ccc(-c2nc(CN(C)Cc3cnc4ccccn34)c(C)o2)cc1 ZINC000012302609 204392011 /nfs/dbraw/zinc/39/20/11/204392011.db2.gz NUVSUHMDZSTPIA-UHFFFAOYSA-N 0 0 390.443 3.716 10 0 GHAERN Cc1cccc(Sc2nccnc2N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000033168647 204950081 /nfs/dbraw/zinc/95/00/81/204950081.db2.gz WSODQNRNHUSEJL-UHFFFAOYSA-N 0 0 382.533 3.775 10 0 GHAERN CCNC(=O)N1C[C@@H](c2cccc(C)c2)C[C@H](C(=O)NCc2ccccc2F)C1 ZINC000034710921 204973422 /nfs/dbraw/zinc/97/34/22/204973422.db2.gz OYOVIYDQFYWGBQ-PMACEKPBSA-N 0 0 397.494 3.586 10 0 GHAERN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC)C(=O)c2cccs2)c1C ZINC000036004355 205001333 /nfs/dbraw/zinc/00/13/33/205001333.db2.gz PYSJAQDPIYRTHU-CYBMUJFWSA-N 0 0 376.478 3.603 10 0 GHAERN COc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)N3CCCCC3)C2)c1 ZINC000036041395 205002101 /nfs/dbraw/zinc/00/21/01/205002101.db2.gz JOZUJJGUXHCFEK-FCHUYYIVSA-N 0 0 392.499 3.564 10 0 GHAERN CCc1nc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c(C)s2)no1 ZINC000035539323 204993630 /nfs/dbraw/zinc/99/36/30/204993630.db2.gz DQACXXGWKGWVIL-NSHDSACASA-N 0 0 389.502 3.809 10 0 GHAERN Cc1nc2sc(SCC(=O)Nc3ccc(F)c(Cl)c3)cc2c(=O)n1C ZINC000038805837 205038748 /nfs/dbraw/zinc/03/87/48/205038748.db2.gz QTFKUQGHXIRBOY-UHFFFAOYSA-N 0 0 397.884 3.827 10 0 GHAERN CCN(C)C(=O)[C@@H]1CN(C(=O)NC(C)(C)C)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000040400165 205064552 /nfs/dbraw/zinc/06/45/52/205064552.db2.gz DAIVFSBHFKJROG-JKSUJKDBSA-N 0 0 399.457 3.707 10 0 GHAERN COc1ccccc1Nc1ncnc(Nc2ccc(Br)cn2)c1N ZINC000040779711 205070530 /nfs/dbraw/zinc/07/05/30/205070530.db2.gz ZCIMRUNGLIPXQC-UHFFFAOYSA-N 0 0 387.241 3.712 10 0 GHAERN CCOC(=O)c1ccc(CCNC(=O)C(C)(C)c2cc(OC)cc(OC)c2)cc1 ZINC000047818696 205111254 /nfs/dbraw/zinc/11/12/54/205111254.db2.gz HIMARZZKWIGANV-UHFFFAOYSA-N 0 0 399.487 3.517 10 0 GHAERN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@H](O)c1cc(Cl)ccc1Cl ZINC000051288958 205131434 /nfs/dbraw/zinc/13/14/34/205131434.db2.gz GRKMAALZAZNUIN-KRWDZBQOSA-N 0 0 388.254 3.998 10 0 GHAERN COc1ccccc1C(=O)N1CCC[C@@H](c2noc(-c3ccccc3OC)n2)C1 ZINC000065149499 205213068 /nfs/dbraw/zinc/21/30/68/205213068.db2.gz SUMOLKFPNHTQGA-OAHLLOKOSA-N 0 0 393.443 3.774 10 0 GHAERN O=C(NCc1ccccc1F)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165232 205214720 /nfs/dbraw/zinc/21/47/20/205214720.db2.gz JSPXHJNXJMKFBF-UHFFFAOYSA-N 0 0 382.464 3.874 10 0 GHAERN O=C1CN(C2CCCCC2)C(=O)[C@@H](c2cccnc2)N1CCCc1ccccc1 ZINC000065273830 205226739 /nfs/dbraw/zinc/22/67/39/205226739.db2.gz DBHONAGAZHXSOW-HSZRJFAPSA-N 0 0 391.515 3.759 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCCC2)o1)c1ccccc1F ZINC000065202969 205217950 /nfs/dbraw/zinc/21/79/50/205217950.db2.gz SNNRVTNVHDMNNR-SFHVURJKSA-N 0 0 380.423 3.523 10 0 GHAERN O=C(CCc1cccs1)N1CCC2(CCC(=O)N2OCc2ccccc2)CC1 ZINC000072151524 205314144 /nfs/dbraw/zinc/31/41/44/205314144.db2.gz QSLOUDLZUBWHRE-UHFFFAOYSA-N 0 0 398.528 3.796 10 0 GHAERN CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000095845467 205504976 /nfs/dbraw/zinc/50/49/76/205504976.db2.gz DIUHLSNBUJPEQZ-DYVFJYSZSA-N 0 0 384.270 3.763 10 0 GHAERN Cc1noc(C)c1CCC(=O)N1CC[C@@H](c2nc3ccncc3n2C(C)C)C1 ZINC000096125256 205525208 /nfs/dbraw/zinc/52/52/08/205525208.db2.gz OVOUFBBAMUWGTE-MRXNPFEDSA-N 0 0 381.480 3.566 10 0 GHAERN Cc1oc(C2CCN(C(=O)CC3CCCCC3)CC2)nc1C(=O)N1CCCC1 ZINC000096396874 205564753 /nfs/dbraw/zinc/56/47/53/205564753.db2.gz YPPFOWQRRQWMRK-UHFFFAOYSA-N 0 0 387.524 3.895 10 0 GHAERN Cc1ccc(CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)o1 ZINC000008550952 206223908 /nfs/dbraw/zinc/22/39/08/206223908.db2.gz ZWFIADOUSDDEMB-GOSISDBHSA-N 0 0 382.485 3.649 10 0 GHAERN COc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000086077232 136175409 /nfs/dbraw/zinc/17/54/09/136175409.db2.gz NHJSFUONIDGJGJ-ZDUSSCGKSA-N 0 0 398.413 3.772 10 0 GHAERN O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3ccccc3Cl)nn12 ZINC000048513172 221992741 /nfs/dbraw/zinc/99/27/41/221992741.db2.gz YITBXFLLWATHFE-ZSOIEALJSA-N 0 0 392.242 3.812 10 0 GHAERN Cc1cccnc1CN1CCN(C(=O)c2ccc3oc(C(C)C)nc3c2)CC1 ZINC000020450813 570256705 /nfs/dbraw/zinc/25/67/05/570256705.db2.gz MPDLPEJNBDYKIN-UHFFFAOYSA-N 0 0 378.476 3.613 10 0 GHAERN CC(=O)N1C[C@@H](c2ccc(F)c(C)c2)C[C@H](C(=O)N(C)Cc2ccccc2)C1 ZINC000034715466 570319175 /nfs/dbraw/zinc/31/91/75/570319175.db2.gz LIUVHOZEFHZYFR-SFTDATJTSA-N 0 0 382.479 3.745 10 0 GHAERN CCC(CC)C(=O)N1CCC[C@H](COc2ccc(CN3CCOCC3)cc2)C1 ZINC000015067121 570876240 /nfs/dbraw/zinc/87/62/40/570876240.db2.gz HAHIFNSWRXGGKH-FQEVSTJZSA-N 0 0 388.552 3.572 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)Nc1cccc(OC(F)(F)F)c1 ZINC000106041583 837664550 /nfs/dbraw/zinc/66/45/50/837664550.db2.gz SUXROTDOVGTYOC-UHFFFAOYSA-N 0 0 378.310 3.602 10 0 GHAERN C[C@@H](NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1nccs1 ZINC000105992512 837673703 /nfs/dbraw/zinc/67/37/03/837673703.db2.gz PTLGOZUEDIHHBF-JDNHERCYSA-N 0 0 379.894 3.603 10 0 GHAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000103313728 837733004 /nfs/dbraw/zinc/73/30/04/837733004.db2.gz YCQDMQWXWQHKAL-BTRQGYIVSA-N 0 0 395.613 3.635 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)C2)cn1 ZINC000116539857 834359138 /nfs/dbraw/zinc/35/91/38/834359138.db2.gz QUYPZDPDPGARFX-KDOFPFPSSA-N 0 0 390.434 3.598 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156555078 834434743 /nfs/dbraw/zinc/43/47/43/834434743.db2.gz SLBDERWKSHKHTE-UHFFFAOYSA-N 0 0 376.888 3.877 10 0 GHAERN Cc1csc(C2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)n1 ZINC000156687596 834503438 /nfs/dbraw/zinc/50/34/38/834503438.db2.gz ACQBHMHBHJPIIS-UHFFFAOYSA-N 0 0 388.468 3.932 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000156763718 834545371 /nfs/dbraw/zinc/54/53/71/834545371.db2.gz RZPRKQQYLNZXKK-CQSZACIVSA-N 0 0 389.521 3.675 10 0 GHAERN O=C([C@@H]1CCCC(=O)N1)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000329214745 834559744 /nfs/dbraw/zinc/55/97/44/834559744.db2.gz LNXDNNAVXBHMBQ-ZDUSSCGKSA-N 0 0 389.805 3.516 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cccc(Cl)c1Cl)C2 ZINC000113299742 837812981 /nfs/dbraw/zinc/81/29/81/837812981.db2.gz CWRASQSSZLBNLA-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)no1 ZINC000329353827 834893678 /nfs/dbraw/zinc/89/36/78/834893678.db2.gz GFCLPAWZEZHPBS-WMLDXEAASA-N 0 0 388.899 3.831 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4s3)CC2)no1 ZINC000329410607 834993850 /nfs/dbraw/zinc/99/38/50/834993850.db2.gz YAGXRTJAGHMUQN-MRXNPFEDSA-N 0 0 397.504 3.568 10 0 GHAERN Cc1sc2ncnc(N3CC[C@H](Oc4cccnc4N4CCCC4)C3)c2c1C ZINC000329483584 835117441 /nfs/dbraw/zinc/11/74/41/835117441.db2.gz WNLMJZIUZHGIKQ-INIZCTEOSA-N 0 0 395.532 3.961 10 0 GHAERN COc1ccccc1C[C@H](C)CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157878485 835125090 /nfs/dbraw/zinc/12/50/90/835125090.db2.gz IXELHKJVSWLWEF-SFHVURJKSA-N 0 0 381.520 3.753 10 0 GHAERN O=C(c1ccccc1CSc1nc[nH]n1)N1CCC[C@@H](c2nccs2)C1 ZINC000158642774 835478383 /nfs/dbraw/zinc/47/83/83/835478383.db2.gz RMZRYDUROBQAJL-CYBMUJFWSA-N 0 0 385.518 3.573 10 0 GHAERN NC(=O)c1cc([C@H]2CCCN(C(=O)CC3CCC(c4ccccc4)CC3)C2)n[nH]1 ZINC000329681256 835670652 /nfs/dbraw/zinc/67/06/52/835670652.db2.gz WUNFLIFUHUWJOW-KVZIAJEVSA-N 0 0 394.519 3.579 10 0 GHAERN C[C@@H]1CCc2c(sc3nc(CN4CC[C@@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542274 844080677 /nfs/dbraw/zinc/08/06/77/844080677.db2.gz RESGSHDMCVBQNQ-YPENRWOSSA-N 0 0 386.565 3.525 10 0 GHAERN Clc1ccc(SCCc2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)cc1 ZINC000329707428 835735697 /nfs/dbraw/zinc/73/56/97/835735697.db2.gz KMMJKRMNYBGTHA-ZBFHGGJFSA-N 0 0 379.913 3.984 10 0 GHAERN COC(=O)c1cccc(NC(=O)/C=C\c2ncccc2C)c1Br ZINC000588590483 835797060 /nfs/dbraw/zinc/79/70/60/835797060.db2.gz KTYBTXWJUZXVHJ-HJWRWDBZSA-N 0 0 375.222 3.591 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)C[C@@H]1C ZINC000187956304 835808897 /nfs/dbraw/zinc/80/88/97/835808897.db2.gz YEEBLZVFSQKGRR-JSGCOSHPSA-N 0 0 398.297 3.508 10 0 GHAERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000102985957 837252944 /nfs/dbraw/zinc/25/29/44/837252944.db2.gz JIJFOMQRGGWWLA-UONOGXRCSA-N 0 0 397.422 3.809 10 0 GHAERN O=C(c1occc1-c1ccc(F)cc1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000407966651 838280124 /nfs/dbraw/zinc/28/01/24/838280124.db2.gz OJQWVOMUIAEVIA-UHFFFAOYSA-N 0 0 391.464 3.659 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000407984648 838392632 /nfs/dbraw/zinc/39/26/32/838392632.db2.gz XJVGGWJBAQBJRH-KRWDZBQOSA-N 0 0 390.915 3.653 10 0 GHAERN O=C(c1cccn1C1CCCC1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000180206248 838559226 /nfs/dbraw/zinc/55/92/26/838559226.db2.gz TYJDABNUIQSERL-QGZVFWFLSA-N 0 0 381.524 3.941 10 0 GHAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000115364662 839124528 /nfs/dbraw/zinc/12/45/28/839124528.db2.gz ADJDYKJASUMTTG-CJNGLKHVSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC(C)(C)c3cccc(C)c3)C2)n1 ZINC000117040507 839538883 /nfs/dbraw/zinc/53/88/83/839538883.db2.gz GEHZIZNRCVHTDZ-IBGZPJMESA-N 0 0 383.540 3.603 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)s3)C2)n1 ZINC000117032325 839539091 /nfs/dbraw/zinc/53/90/91/839539091.db2.gz FHZDTEDBPIAORZ-SMDDNHRTSA-N 0 0 381.933 3.793 10 0 GHAERN C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333302910 844576062 /nfs/dbraw/zinc/57/60/62/844576062.db2.gz CHXCBDIAMKHHIL-FPSLLJFYSA-N 0 0 387.545 3.911 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C2 ZINC000332817721 844576505 /nfs/dbraw/zinc/57/65/05/844576505.db2.gz PBENOGOHPOCTNJ-IHRRRGAJSA-N 0 0 386.462 3.916 10 0 GHAERN Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)/C=C\c2ccccc2Cl)c1 ZINC000588402526 840877098 /nfs/dbraw/zinc/87/70/98/840877098.db2.gz ZXKNEKJOVBSCEH-CLFYSBASSA-N 0 0 380.835 3.585 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000119175877 840907793 /nfs/dbraw/zinc/90/77/93/840907793.db2.gz GTFGUSUAKJTCRV-LJQANCHMSA-N 0 0 393.466 3.835 10 0 GHAERN C[C@]1(NC(=O)N[C@H]2CCc3cc(Br)ccc32)CCO[C@H]1C1CC1 ZINC000332860285 844597044 /nfs/dbraw/zinc/59/70/44/844597044.db2.gz GICBTAHUWVQHQX-BQFCYCMXSA-N 0 0 379.298 3.693 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(Br)ncc3Cl)CCO2)o1 ZINC000188961413 841101859 /nfs/dbraw/zinc/10/18/59/841101859.db2.gz PTGFKYQKLOFZHI-CYBMUJFWSA-N 0 0 385.645 3.613 10 0 GHAERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1C[C@]12CCOc1ccccc12 ZINC000332891955 844613043 /nfs/dbraw/zinc/61/30/43/844613043.db2.gz OCJBZRFHKSDDSH-ZHRRBRCNSA-N 0 0 399.874 3.858 10 0 GHAERN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000332873744 844618022 /nfs/dbraw/zinc/61/80/22/844618022.db2.gz JFVUFPHOMWCSDO-ZHCJQAHYSA-N 0 0 392.462 3.581 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)cc1F ZINC000332901493 844634317 /nfs/dbraw/zinc/63/43/17/844634317.db2.gz OPSUXRMPMOOIIA-ZSXHRAQDSA-N 0 0 382.483 3.939 10 0 GHAERN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000105931410 841820564 /nfs/dbraw/zinc/82/05/64/841820564.db2.gz SPWDOJXMWDPDPC-INIZCTEOSA-N 0 0 387.505 3.583 10 0 GHAERN C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000246517862 841824096 /nfs/dbraw/zinc/82/40/96/841824096.db2.gz KGJRCWGUYHRJCJ-RPCCPQHDSA-N 0 0 382.501 3.653 10 0 GHAERN CC(C)OCCCCNS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588423737 841989419 /nfs/dbraw/zinc/98/94/19/841989419.db2.gz YSYXTOOPIJHAGT-FLIBITNWSA-N 0 0 376.316 3.544 10 0 GHAERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408190575 842170709 /nfs/dbraw/zinc/17/07/09/842170709.db2.gz AMLNFUIZZJNCTQ-VBSBHUPXSA-N 0 0 391.943 3.644 10 0 GHAERN COc1ccccc1-c1noc(CSc2nnc(-c3ccoc3C)n2C)n1 ZINC000007217196 842289796 /nfs/dbraw/zinc/28/97/96/842289796.db2.gz KAYWHHSKUVRIRY-UHFFFAOYSA-N 0 0 383.433 3.734 10 0 GHAERN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408349120 842690409 /nfs/dbraw/zinc/69/04/09/842690409.db2.gz GVPDLFWYKJAUHU-JLTOFOAXSA-N 0 0 377.554 3.572 10 0 GHAERN O=C(/C=C\c1ccncn1)NCCCCSc1ccccc1Br ZINC000588438694 842733192 /nfs/dbraw/zinc/73/31/92/842733192.db2.gz KTKWEJDUHAVAOC-FPLPWBNLSA-N 0 0 392.322 3.941 10 0 GHAERN COc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000247508756 842771953 /nfs/dbraw/zinc/77/19/53/842771953.db2.gz MZKIWYSMNYCQSB-KPFFTGBYSA-N 0 0 376.522 3.596 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2cnn(C)c2)CC1=O ZINC000328954815 843131823 /nfs/dbraw/zinc/13/18/23/843131823.db2.gz NAPSWPASRCFCIT-ZWOKBUDYSA-N 0 0 394.519 3.650 10 0 GHAERN O=C(NCc1nc(-c2ccccc2)cs1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000162177521 843211658 /nfs/dbraw/zinc/21/16/58/843211658.db2.gz HHKVSIAIBDJEBY-LJQANCHMSA-N 0 0 395.484 3.799 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c2ccccc2)[nH]1 ZINC000162567946 843276400 /nfs/dbraw/zinc/27/64/00/843276400.db2.gz NMOPFKBWKOSLRF-ZUOKHONESA-N 0 0 391.454 3.582 10 0 GHAERN CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588452870 843315768 /nfs/dbraw/zinc/31/57/68/843315768.db2.gz CTNWDVZQFZIPOO-HJBMFWNLSA-N 0 0 378.472 3.569 10 0 GHAERN C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C[C@@H](C)C1 ZINC000121316270 843333232 /nfs/dbraw/zinc/33/32/32/843333232.db2.gz KNYWRSRKUADZTR-CVEARBPZSA-N 0 0 375.488 3.508 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1 ZINC000588454649 843344916 /nfs/dbraw/zinc/34/49/16/843344916.db2.gz LTADWLVJLDTPDQ-QYMJWVLRSA-N 0 0 375.428 3.633 10 0 GHAERN CC(C)c1ccccc1NC(=O)CN1CCCN(C(=O)c2cccs2)CC1 ZINC000112352219 843352926 /nfs/dbraw/zinc/35/29/26/843352926.db2.gz MDXFGGMKGKDOKT-UHFFFAOYSA-N 0 0 385.533 3.658 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000121466434 843374628 /nfs/dbraw/zinc/37/46/28/843374628.db2.gz OCQDZFZUDGJGSP-PXAZEXFGSA-N 0 0 383.286 3.617 10 0 GHAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121742966 843484491 /nfs/dbraw/zinc/48/44/91/843484491.db2.gz JFCRCNNYOKRPRT-ADLMAVQZSA-N 0 0 395.272 3.837 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000408250740 843593494 /nfs/dbraw/zinc/59/34/94/843593494.db2.gz QRFADIMDGOOYAX-DYZYQPBXSA-N 0 0 388.270 3.505 10 0 GHAERN COC(=O)c1ccc(Cl)c(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1C ZINC000588475614 844656270 /nfs/dbraw/zinc/65/62/70/844656270.db2.gz QQMYKEQCUVHLBF-KTKRTIGZSA-N 0 0 383.828 3.987 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000246787149 844907058 /nfs/dbraw/zinc/90/70/58/844907058.db2.gz MJBMCMYPAGQRGB-DLVCFXQMSA-N 0 0 396.535 3.505 10 0 GHAERN COCCCOc1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000151064409 845126704 /nfs/dbraw/zinc/12/67/04/845126704.db2.gz NBIFLRFJEIJUDX-UHFFFAOYSA-N 0 0 389.521 3.954 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(Cc3nnc(Cc4ccccc4C)o3)C2)c1 ZINC000151085584 845144834 /nfs/dbraw/zinc/14/48/34/845144834.db2.gz CPBYKNBLOFBTLO-SFHVURJKSA-N 0 0 393.487 3.976 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000332980942 845257728 /nfs/dbraw/zinc/25/77/28/845257728.db2.gz UHGWXIAWVBYSPC-GVDBMIGSSA-N 0 0 397.441 3.628 10 0 GHAERN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1 ZINC000408444928 845444446 /nfs/dbraw/zinc/44/44/46/845444446.db2.gz XVVGVOUCKORDPX-UHFFFAOYSA-N 0 0 379.526 3.514 10 0 GHAERN CC1(C)COc2c1cccc2C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000408447954 845530770 /nfs/dbraw/zinc/53/07/70/845530770.db2.gz LLNBBWDBTDLHET-UHFFFAOYSA-N 0 0 399.535 3.593 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H](O)Cc1ccccc1 ZINC000104909378 845909277 /nfs/dbraw/zinc/90/92/77/845909277.db2.gz VOYJXMJYEQZUAP-INIZCTEOSA-N 0 0 386.904 3.726 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000151971687 846073209 /nfs/dbraw/zinc/07/32/09/846073209.db2.gz KLKBPWNHJBRMIJ-QZTJIDSGSA-N 0 0 376.570 3.674 10 0 GHAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333542606 846480678 /nfs/dbraw/zinc/48/06/78/846480678.db2.gz SHNAIZBHTNNYII-IZSNYMMISA-N 0 0 380.485 3.519 10 0 GHAERN Cc1nc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)cc(C2CC2)n1 ZINC000588514647 846934629 /nfs/dbraw/zinc/93/46/29/846934629.db2.gz GSVZMHYORMQJTQ-HJWRWDBZSA-N 0 0 394.294 3.838 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000153444051 848511442 /nfs/dbraw/zinc/51/14/42/848511442.db2.gz VMOPGPYHQGVQBO-ROVVAWJSSA-N 0 0 389.345 3.542 10 0 GHAERN Cc1ccc(CNC(=O)/C=C\c2ccnc(Cl)c2)c(-n2cc(Cl)cn2)n1 ZINC000588561234 848786452 /nfs/dbraw/zinc/78/64/52/848786452.db2.gz VSLULPSBIBFXJK-HYXAFXHYSA-N 0 0 388.258 3.607 10 0 GHAERN Cc1nc([C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2F)no1 ZINC000155242845 849484953 /nfs/dbraw/zinc/48/49/53/849484953.db2.gz QVNGCBGOFFCNFX-OAHLLOKOSA-N 0 0 395.221 3.926 10 0 GHAERN O=C(/C=C/c1ccccc1Cl)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044453855 849501132 /nfs/dbraw/zinc/50/11/32/849501132.db2.gz PRZYTZDYPRMYIL-AATRIKPKSA-N 0 0 375.881 3.687 10 0 GHAERN Cc1csc2nc(C[S@@](=O)[C@@H](C)c3ncc(-c4ccccc4)o3)cc(=O)n12 ZINC000155663653 849584500 /nfs/dbraw/zinc/58/45/00/849584500.db2.gz UMGOOAFQLOZRKT-CEXHIMGSSA-N 0 0 399.497 3.729 10 0 GHAERN CN(Cc1ccc(Br)o1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155769163 849642582 /nfs/dbraw/zinc/64/25/82/849642582.db2.gz PWPYZCLBARNHST-UHFFFAOYSA-N 0 0 398.326 3.914 10 0 GHAERN O=C(CCC(=O)c1ccc(F)c(F)c1)NC1CCN(c2cccs2)CC1 ZINC000155850959 849678435 /nfs/dbraw/zinc/67/84/35/849678435.db2.gz UUKSQMZJSSQKMZ-UHFFFAOYSA-N 0 0 378.444 3.774 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)n1 ZINC000101607417 851726506 /nfs/dbraw/zinc/72/65/06/851726506.db2.gz YBTYIRJSDSBUSV-ZDUSSCGKSA-N 0 0 384.411 3.912 10 0 GHAERN C[C@H]1CN(c2ccc(CNC(=O)N(C)CCC3CCCCC3)cn2)C[C@H](C)O1 ZINC000101607686 851726891 /nfs/dbraw/zinc/72/68/91/851726891.db2.gz NZFZKCNTTNNHAH-ROUUACIJSA-N 0 0 388.556 3.807 10 0 GHAERN CCCOc1cccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000101743377 851864661 /nfs/dbraw/zinc/86/46/61/851864661.db2.gz DTIKFWKRCQOEHH-MRXNPFEDSA-N 0 0 375.513 3.880 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccccc2CS(C)(=O)=O)cc1C ZINC000101751331 851869723 /nfs/dbraw/zinc/86/97/23/851869723.db2.gz BQPUWBHPVOIEDN-UHFFFAOYSA-N 0 0 390.505 3.521 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000101765297 851875606 /nfs/dbraw/zinc/87/56/06/851875606.db2.gz IBTRQWHJBUCIQJ-KGLIPLIRSA-N 0 0 381.467 3.608 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000101771896 851898373 /nfs/dbraw/zinc/89/83/73/851898373.db2.gz GXTBVGQQUGVBCE-HUUCEWRRSA-N 0 0 379.932 3.983 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000101771484 851898543 /nfs/dbraw/zinc/89/85/43/851898543.db2.gz ZAIPKZCOHLMFHN-LSDHHAIUSA-N 0 0 379.932 3.983 10 0 GHAERN CCCOc1ccc(CNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000101783830 851906581 /nfs/dbraw/zinc/90/65/81/851906581.db2.gz LBPNTRQPVZQYGP-KRWDZBQOSA-N 0 0 389.540 3.558 10 0 GHAERN Cc1ccc(C(=O)N2CCC(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)CC2)cc1 ZINC000333703550 852693183 /nfs/dbraw/zinc/69/31/83/852693183.db2.gz FFKOUXYCHPBLCE-NMNFXAFOSA-N 0 0 395.547 3.677 10 0 GHAERN Cc1nc2cc(C(=O)N3CCCNC(=O)[C@H]3C)ccc2n1Cc1ccsc1 ZINC000329994989 862489801 /nfs/dbraw/zinc/48/98/01/862489801.db2.gz ZTOYYUJVEKLSCS-CYBMUJFWSA-N 0 0 382.489 3.645 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@H](n3cccn3)C2)cc1 ZINC000328676714 854505813 /nfs/dbraw/zinc/50/58/13/854505813.db2.gz AFPCFVWPQZVBTQ-XLIONFOSSA-N 0 0 395.507 3.767 10 0 GHAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)c(Cl)c1 ZINC000125360034 854704894 /nfs/dbraw/zinc/70/48/94/854704894.db2.gz AWQXNZYQIODCLH-ZDUSSCGKSA-N 0 0 378.879 3.938 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc(C)c3ccc(C)cc3n2)CC(=O)N1C ZINC000330135735 862604399 /nfs/dbraw/zinc/60/43/99/862604399.db2.gz MYBHJDHVPOQGRW-XMSQKQJNSA-N 0 0 377.492 3.586 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606776 855125023 /nfs/dbraw/zinc/12/50/23/855125023.db2.gz QJIRCFPOGDBXCU-UHFFFAOYSA-N 0 0 380.326 3.542 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711256 855135979 /nfs/dbraw/zinc/13/59/79/855135979.db2.gz DMRQIYLGASRTFX-RPHGYIDUSA-N 0 0 393.852 3.567 10 0 GHAERN Cc1ccc(Cl)cc1CNC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190526197 855478059 /nfs/dbraw/zinc/47/80/59/855478059.db2.gz MDQFMHUOPZPGRS-CRAIPNDOSA-N 0 0 380.822 3.944 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)n1 ZINC000330285116 862722935 /nfs/dbraw/zinc/72/29/35/862722935.db2.gz YJVLLHNKWMBOJE-DZGCQCFKSA-N 0 0 389.502 3.504 10 0 GHAERN CC(C)(C)[C@@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000172172328 855861363 /nfs/dbraw/zinc/86/13/63/855861363.db2.gz YFPZQRUKEQAMIC-WBVHZDCISA-N 0 0 378.538 3.763 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000330293309 862748826 /nfs/dbraw/zinc/74/88/26/862748826.db2.gz HQXGOCSASIIXDZ-QYZOEREBSA-N 0 0 399.491 3.569 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Cc3cc(Cl)ccc3OC)C2)c1 ZINC000102382887 856399141 /nfs/dbraw/zinc/39/91/41/856399141.db2.gz VPRCPOQQSNURBR-HNNXBMFYSA-N 0 0 388.895 3.542 10 0 GHAERN O=C(NC1CCN(C(=O)NCc2ccc(Cl)cc2)CC1)c1ccccc1F ZINC000042861352 856458529 /nfs/dbraw/zinc/45/85/29/856458529.db2.gz YMQLGLWJSFGDJS-UHFFFAOYSA-N 0 0 389.858 3.583 10 0 GHAERN COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)c1O ZINC000138039804 856475938 /nfs/dbraw/zinc/47/59/38/856475938.db2.gz HRGWMGTYIRQYMO-VYALMSHHSA-N 0 0 383.444 3.712 10 0 GHAERN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000045313080 856713766 /nfs/dbraw/zinc/71/37/66/856713766.db2.gz CBXZDICYFMNJLW-QUCCMNQESA-N 0 0 381.524 3.620 10 0 GHAERN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)C(=O)[C@@H](C)CC)CC1 ZINC000012053836 858725781 /nfs/dbraw/zinc/72/57/81/858725781.db2.gz KFGKAOYBIGYILC-HNNXBMFYSA-N 0 0 393.911 3.670 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164641978 859966437 /nfs/dbraw/zinc/96/64/37/859966437.db2.gz HOYMSPCHIRPBJI-RBZFPXEDSA-N 0 0 391.418 3.995 10 0 GHAERN COc1ccccc1-c1noc(CSc2nnnn2-c2cccc(C)c2C)n1 ZINC000015513117 860128307 /nfs/dbraw/zinc/12/83/07/860128307.db2.gz DPADWXPZPLNGFB-UHFFFAOYSA-N 0 0 394.460 3.630 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000170895438 860421891 /nfs/dbraw/zinc/42/18/91/860421891.db2.gz CQYIWBJUUQOSFQ-DOTOQJQBSA-N 0 0 386.496 3.957 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)c1 ZINC000173778671 860443140 /nfs/dbraw/zinc/44/31/40/860443140.db2.gz SANNBONQPLVIPO-LJQANCHMSA-N 0 0 381.476 3.726 10 0 GHAERN CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2s1 ZINC000173906049 860444326 /nfs/dbraw/zinc/44/43/26/860444326.db2.gz JOPGMTBVTCCODL-HNNXBMFYSA-N 0 0 388.537 3.532 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3cccc(NC(C)=O)c3)o2)cc1 ZINC000102947199 860912941 /nfs/dbraw/zinc/91/29/41/860912941.db2.gz PEOXTZXKKQAERE-HHHXNRCGSA-N 0 0 384.457 3.758 10 0 GHAERN Cc1sc2nc([C@@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034812 860965385 /nfs/dbraw/zinc/96/53/85/860965385.db2.gz MOBZLPPJTDEJIL-ZWNOBZJWSA-N 0 0 385.493 3.825 10 0 GHAERN Cc1cccc(C2(C(=O)N3C[C@@H](c4cnn(C(C)C)c4)[C@H](CO)C3)CCCC2)c1 ZINC000329152340 861074026 /nfs/dbraw/zinc/07/40/26/861074026.db2.gz AQEYQGLVUMFWRW-UNMCSNQZSA-N 0 0 395.547 3.819 10 0 GHAERN Brc1ccccc1C1(c2noc([C@@H]3OC[C@@H]4COCC[C@@H]34)n2)CC1 ZINC000377770529 863304821 /nfs/dbraw/zinc/30/48/21/863304821.db2.gz DOCDVGAZZJCTFY-YWPYICTPSA-N 0 0 391.265 3.636 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3cccc(Cn4cccn4)c3)c21 ZINC000103180533 863903614 /nfs/dbraw/zinc/90/36/14/863903614.db2.gz LPROBRDKTJTWMR-UHFFFAOYSA-N 0 0 387.487 3.763 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc4c(c3)OCCCO4)c21 ZINC000103182272 863904482 /nfs/dbraw/zinc/90/44/82/863904482.db2.gz NJILFCAQCTWUPG-UHFFFAOYSA-N 0 0 379.460 3.680 10 0 GHAERN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000103299959 863946071 /nfs/dbraw/zinc/94/60/71/863946071.db2.gz KANPXRSDIKHNJE-YQQAZPJKSA-N 0 0 393.503 3.622 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NC3CCN(c4ccccc4)CC3)c21 ZINC000103309654 863952147 /nfs/dbraw/zinc/95/21/47/863952147.db2.gz FRNGDOYEZLFNAM-UHFFFAOYSA-N 0 0 376.504 3.987 10 0 GHAERN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103431122 863980369 /nfs/dbraw/zinc/98/03/69/863980369.db2.gz CRHKDPOIDUZLES-PBHICJAKSA-N 0 0 386.879 3.645 10 0 GHAERN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103431125 863980449 /nfs/dbraw/zinc/98/04/49/863980449.db2.gz CRHKDPOIDUZLES-WMLDXEAASA-N 0 0 386.879 3.645 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)c3nnn(-c4ccccc4Cl)c3C)c2)no1 ZINC000103386455 864005006 /nfs/dbraw/zinc/00/50/06/864005006.db2.gz DZCRNNNPQXFZSS-UHFFFAOYSA-N 0 0 394.822 3.840 10 0 GHAERN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1 ZINC000104203503 864187728 /nfs/dbraw/zinc/18/77/28/864187728.db2.gz RPCAFMHWIOJGGP-UHFFFAOYSA-N 0 0 392.521 3.671 10 0 GHAERN CCc1nc(C(=O)N(C)CCc2ccccc2OC)nn1-c1ccccc1Cl ZINC000104461011 864326655 /nfs/dbraw/zinc/32/66/55/864326655.db2.gz PSFNQXWHVHYQGS-UHFFFAOYSA-N 0 0 398.894 3.806 10 0 GHAERN O[C@]12CCCC[C@H]1CN(Cc1nc(-c3ccc(Br)s3)no1)CC2 ZINC000248215274 864955641 /nfs/dbraw/zinc/95/56/41/864955641.db2.gz ZNKOCAKTKRILIF-ZBEGNZNMSA-N 0 0 398.326 3.688 10 0 GHAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O ZINC000303247387 865114405 /nfs/dbraw/zinc/11/44/05/865114405.db2.gz MBXWIOPVQGFMJU-HOTGVXAUSA-N 0 0 399.516 3.567 10 0 GHAERN Cc1nc(-c2ccncc2)nc(N2CCC(c3noc(C4CC4)n3)CC2)c1C ZINC000302163223 865743093 /nfs/dbraw/zinc/74/30/93/865743093.db2.gz ILHLCEOCGGVFTN-UHFFFAOYSA-N 0 0 376.464 3.800 10 0 GHAERN CC(=O)N1CC[C@H](Nc2cc(C)nc(-c3cccnc3)n2)c2ccc(F)cc2C1 ZINC000302194208 865760229 /nfs/dbraw/zinc/76/02/29/865760229.db2.gz NMFYPQIYCVTJSQ-FQEVSTJZSA-N 0 0 391.450 3.892 10 0 GHAERN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928864 865762407 /nfs/dbraw/zinc/76/24/07/865762407.db2.gz HGLOJOXAZHQAHW-KRWDZBQOSA-N 0 0 382.464 3.503 10 0 GHAERN COc1cccc(CNC(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)n1 ZINC000102010987 866598031 /nfs/dbraw/zinc/59/80/31/866598031.db2.gz NOKWOCAOFNGGLM-MRXNPFEDSA-N 0 0 377.391 3.568 10 0 GHAERN COc1cc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)ccc1OC1CCCC1 ZINC000109687125 866602007 /nfs/dbraw/zinc/60/20/07/866602007.db2.gz QEXVLPONLVKFFX-SFHVURJKSA-N 0 0 383.492 3.999 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)C3(c4cccc(C)c4)CCCCC3)CC2)n1 ZINC000110893322 866661863 /nfs/dbraw/zinc/66/18/63/866661863.db2.gz IGTGJWKBEYLHKI-SFHVURJKSA-N 0 0 396.535 3.794 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1)C1CCCCC1 ZINC000151089130 866689726 /nfs/dbraw/zinc/68/97/26/866689726.db2.gz QYHZXJZUPYIACT-XXBNENTESA-N 0 0 384.520 3.973 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1-c1ccccc1Cl ZINC000180146258 866815026 /nfs/dbraw/zinc/81/50/26/866815026.db2.gz QMQGJMKHFQYAIV-QRWLVFNGSA-N 0 0 388.899 3.993 10 0 GHAERN COc1ccc(C(=O)N2CCCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000169844248 882029940 /nfs/dbraw/zinc/02/99/40/882029940.db2.gz NSYUHTNBNOBRBT-UHFFFAOYSA-N 0 0 396.531 3.586 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000169858050 882030113 /nfs/dbraw/zinc/03/01/13/882030113.db2.gz CUDOVDLSEWRBIX-UHFFFAOYSA-N 0 0 393.325 3.750 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1cccnc1 ZINC000169852276 882030522 /nfs/dbraw/zinc/03/05/22/882030522.db2.gz YXXRWOGLYKNCKQ-UHFFFAOYSA-N 0 0 385.467 3.783 10 0 GHAERN Cn1ccnc1SCc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)o1 ZINC000171642459 882119638 /nfs/dbraw/zinc/11/96/38/882119638.db2.gz YNIKMMQOYLQWNU-CYBMUJFWSA-N 0 0 388.518 3.782 10 0 GHAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(Cc4ccccn4)CC3)c12 ZINC000171612302 882145786 /nfs/dbraw/zinc/14/57/86/882145786.db2.gz DBTLWGKIYVPTLM-UHFFFAOYSA-N 0 0 389.503 3.644 10 0 GHAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000171724124 882157275 /nfs/dbraw/zinc/15/72/75/882157275.db2.gz VDJDJNDUMQIUPK-SNVBAGLBSA-N 0 0 395.278 3.654 10 0 GHAERN COc1ccc(-c2noc(C3CCN(C(=O)c4cccs4)CC3)n2)cc1OC ZINC000171782468 882160211 /nfs/dbraw/zinc/16/02/11/882160211.db2.gz FHPYDYRWEWCENJ-UHFFFAOYSA-N 0 0 399.472 3.835 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000172100598 882168951 /nfs/dbraw/zinc/16/89/51/882168951.db2.gz VLHCKAVBXBUUTA-UHFFFAOYSA-N 0 0 388.855 3.563 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)n1 ZINC000172140988 882171603 /nfs/dbraw/zinc/17/16/03/882171603.db2.gz FJKWVYSEDWERSR-UHFFFAOYSA-N 0 0 389.503 3.608 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(-c4ncon4)c3)cc2)co1 ZINC000172204816 882187256 /nfs/dbraw/zinc/18/72/56/882187256.db2.gz CYMMLQNYNDQFQZ-UHFFFAOYSA-N 0 0 382.401 3.501 10 0 GHAERN CCn1c(CCNC(=O)N2CCC[C@H](c3nccs3)C2)nc2ccccc21 ZINC000172227638 882188232 /nfs/dbraw/zinc/18/82/32/882188232.db2.gz JAFPXBBVSSQBSE-HNNXBMFYSA-N 0 0 383.521 3.644 10 0 GHAERN CC1(C)C[C@@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)c2ccccc2O1 ZINC000121659086 882201830 /nfs/dbraw/zinc/20/18/30/882201830.db2.gz JDEBMMJYTPDHFB-CTNGQTDRSA-N 0 0 398.478 3.618 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000245798996 868793810 /nfs/dbraw/zinc/79/38/10/868793810.db2.gz HTRXORLSZAFXDG-VMDGZTHMSA-N 0 0 380.492 3.609 10 0 GHAERN O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCC(c2cc[nH]n2)CC1 ZINC000125583181 868880060 /nfs/dbraw/zinc/88/00/60/868880060.db2.gz QTHSCTWTAXISGP-UHFFFAOYSA-N 0 0 379.460 3.820 10 0 GHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@@H](CCO)c3ccccc3)nc2c1 ZINC000172638377 882281266 /nfs/dbraw/zinc/28/12/66/882281266.db2.gz BMRRQDPAKSGOCL-NQIIRXRSSA-N 0 0 392.503 3.884 10 0 GHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535724 882294062 /nfs/dbraw/zinc/29/40/62/882294062.db2.gz FSYNSYBXGSHLHR-LBPRGKRZSA-N 0 0 384.823 3.548 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172496734 882289780 /nfs/dbraw/zinc/28/97/80/882289780.db2.gz LWCZIFIPLUNMQS-QFBILLFUSA-N 0 0 396.834 3.702 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000172595517 882296905 /nfs/dbraw/zinc/29/69/05/882296905.db2.gz JVGUPYOHAZKHMJ-NHCUHLMSSA-N 0 0 377.488 3.911 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000172621208 882299782 /nfs/dbraw/zinc/29/97/82/882299782.db2.gz QALGOLOZYBCESN-FCHUYYIVSA-N 0 0 375.472 3.636 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172732804 882304925 /nfs/dbraw/zinc/30/49/25/882304925.db2.gz IMPKWGIJQGSGNM-AWEZNQCLSA-N 0 0 388.899 3.688 10 0 GHAERN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172869336 882315152 /nfs/dbraw/zinc/31/51/52/882315152.db2.gz WSBJXXLTPCIHNO-NRFANRHFSA-N 0 0 393.531 3.722 10 0 GHAERN CCCn1ccc2cc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)ccc21 ZINC000172920000 882325057 /nfs/dbraw/zinc/32/50/57/882325057.db2.gz WWVNLJPYGFVOBB-UHFFFAOYSA-N 0 0 390.487 3.937 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172986154 882328272 /nfs/dbraw/zinc/32/82/72/882328272.db2.gz QGADNNVXVRIAAY-ROUUACIJSA-N 0 0 396.874 3.985 10 0 GHAERN Cc1nc([C@H](NC(=O)c2ccc(Cl)nc2Cl)c2ccccc2F)no1 ZINC000114650195 869702595 /nfs/dbraw/zinc/70/25/95/869702595.db2.gz BBFQYPKZKYPLCA-CYBMUJFWSA-N 0 0 381.194 3.738 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)C2)cc1 ZINC000173730314 882369605 /nfs/dbraw/zinc/36/96/05/882369605.db2.gz CJGPWXRLACGHFU-ZRGWGRIASA-N 0 0 384.524 3.564 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015993579 870101794 /nfs/dbraw/zinc/10/17/94/870101794.db2.gz SPHSWLYAFPYLMK-UHFFFAOYSA-N 0 0 392.377 3.918 10 0 GHAERN Cn1cc(CCNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2ccc(Cl)cc21 ZINC000186990524 870244869 /nfs/dbraw/zinc/24/48/69/870244869.db2.gz LQHAKXLCCUHORY-HRAATJIYSA-N 0 0 389.927 3.711 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cs1 ZINC000187115199 870247506 /nfs/dbraw/zinc/24/75/06/870247506.db2.gz LUYXKRMZDWLNSJ-LPHOPBHVSA-N 0 0 383.517 3.785 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000188094993 870266256 /nfs/dbraw/zinc/26/62/56/870266256.db2.gz JZZDOZPYYJTSOE-IRLDBZIGSA-N 0 0 377.488 3.651 10 0 GHAERN CCCCc1nc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000173935327 882395931 /nfs/dbraw/zinc/39/59/31/882395931.db2.gz IIGHKVMJSHPCGQ-UHFFFAOYSA-N 0 0 395.868 3.836 10 0 GHAERN Nn1c(SCc2ncc(-c3ccccc3Cl)o2)nnc1[C@H]1CCCCO1 ZINC000173774569 882401422 /nfs/dbraw/zinc/40/14/22/882401422.db2.gz ULIPRSIDFPHXHR-CYBMUJFWSA-N 0 0 391.884 3.834 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000194538200 870521828 /nfs/dbraw/zinc/52/18/28/870521828.db2.gz JZKMOMQAMRJFOT-IAGOWNOFSA-N 0 0 398.532 3.548 10 0 GHAERN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000056489430 870583061 /nfs/dbraw/zinc/58/30/61/870583061.db2.gz MNEYPXQLCQNOGI-DYESRHJHSA-N 0 0 380.444 3.732 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc2F)n1 ZINC000163552101 870847530 /nfs/dbraw/zinc/84/75/30/870847530.db2.gz PAPPPQAAMKVFFD-IIBYNOLFSA-N 0 0 386.471 3.787 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3)CC2)nc1 ZINC000174589577 882484186 /nfs/dbraw/zinc/48/41/86/882484186.db2.gz YNMULNMAJVEVJF-UHFFFAOYSA-N 0 0 379.508 3.781 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)ccc1C(F)(F)F ZINC000174677465 882492458 /nfs/dbraw/zinc/49/24/58/882492458.db2.gz JWVUPEGKHJGBRO-UHFFFAOYSA-N 0 0 391.393 3.900 10 0 GHAERN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2ccc(F)c(C)c2)cc1OC ZINC000103099833 871272370 /nfs/dbraw/zinc/27/23/70/871272370.db2.gz LNAARGHYHBSERQ-SMDDNHRTSA-N 0 0 386.423 3.998 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cc4c(cc3Cl)OCO4)CC2)nc1 ZINC000174753738 882501128 /nfs/dbraw/zinc/50/11/28/882501128.db2.gz JIOBVFSLHHSCDT-UHFFFAOYSA-N 0 0 388.855 3.563 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000174853401 882532305 /nfs/dbraw/zinc/53/23/05/882532305.db2.gz SJVQJMYPNNPTOE-HOCLYGCPSA-N 0 0 384.446 3.779 10 0 GHAERN CCOC(=O)N[C@@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)CC(C)C ZINC000103307620 871670926 /nfs/dbraw/zinc/67/09/26/871670926.db2.gz AKJQBFZBQYJYFF-UXHICEINSA-N 0 0 398.507 3.631 10 0 GHAERN NC(=O)C[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000175332715 882542852 /nfs/dbraw/zinc/54/28/52/882542852.db2.gz RSZNRPWFRBWSHZ-SCLBCKFNSA-N 0 0 391.924 3.788 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cnc(-c4ccccc4)nc3)C2)c1 ZINC000175409282 882553340 /nfs/dbraw/zinc/55/33/40/882553340.db2.gz DJWGTVNLABVHTG-KRWDZBQOSA-N 0 0 389.455 3.791 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H](c3nccn3C)c3cccc(F)c3)nc21 ZINC000175213929 882557937 /nfs/dbraw/zinc/55/79/37/882557937.db2.gz DUXDWAGCVJFWBR-OAQYLSRUSA-N 0 0 391.450 3.582 10 0 GHAERN O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC(n2cncn2)CC1 ZINC000175913447 882614822 /nfs/dbraw/zinc/61/48/22/882614822.db2.gz IKFBBQWWWHWTMJ-UHFFFAOYSA-N 0 0 381.867 3.834 10 0 GHAERN NC(=O)c1ccc(Cl)cc1NC(=O)c1cc(Br)cnc1Cl ZINC000102227970 872762151 /nfs/dbraw/zinc/76/21/51/872762151.db2.gz ZQSOFNWURIVASL-UHFFFAOYSA-N 0 0 389.036 3.502 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000176234587 882648650 /nfs/dbraw/zinc/64/86/50/882648650.db2.gz QFUFNWPPJFWMRD-RBUKOAKNSA-N 0 0 398.528 3.599 10 0 GHAERN COc1ccccc1CC1CCN(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000102393296 872994493 /nfs/dbraw/zinc/99/44/93/872994493.db2.gz VSOKVLWUFQWYOV-UHFFFAOYSA-N 0 0 389.499 3.831 10 0 GHAERN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)[C@H]1CCCn2ccnc21 ZINC000176312459 882677491 /nfs/dbraw/zinc/67/74/91/882677491.db2.gz NTSMHAUXXRLNCX-HNNXBMFYSA-N 0 0 375.354 3.604 10 0 GHAERN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@@H]1CCCn2ccnc21 ZINC000176324983 882679515 /nfs/dbraw/zinc/67/95/15/882679515.db2.gz DJMFFYNQXSJCFJ-WINIVTDRSA-N 0 0 379.485 3.707 10 0 GHAERN COc1ccc([C@@H](C)CC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000176471139 882696944 /nfs/dbraw/zinc/69/69/44/882696944.db2.gz XWYHUUAJROBBDE-INIZCTEOSA-N 0 0 386.517 3.625 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000116199588 873306332 /nfs/dbraw/zinc/30/63/32/873306332.db2.gz VQVFAVBIHZHUJO-KBPBESRZSA-N 0 0 390.455 3.505 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102729377 873515776 /nfs/dbraw/zinc/51/57/76/873515776.db2.gz CYMGAZDBPWFDNA-KSSFIOAISA-N 0 0 397.450 3.509 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)no1 ZINC000102744441 873526393 /nfs/dbraw/zinc/52/63/93/873526393.db2.gz JGMLAIDNPBKFGX-VXGBXAGGSA-N 0 0 383.370 3.868 10 0 GHAERN COC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000102851253 873718343 /nfs/dbraw/zinc/71/83/43/873718343.db2.gz YLVYFZKFDLHUEN-UHFFFAOYSA-N 0 0 376.412 3.581 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117006551 873848681 /nfs/dbraw/zinc/84/86/81/873848681.db2.gz ZSZHSVCDCMTASQ-UHFFFAOYSA-N 0 0 384.480 3.588 10 0 GHAERN S=c1oc(-c2ccncc2)nn1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102921319 873881978 /nfs/dbraw/zinc/88/19/78/873881978.db2.gz VAWMMONSEIEFOF-HNNXBMFYSA-N 0 0 382.445 3.791 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117612637 874074548 /nfs/dbraw/zinc/07/45/48/874074548.db2.gz HUUQXTDWDIXEJB-PXAZEXFGSA-N 0 0 392.377 3.790 10 0 GHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000117611439 874074663 /nfs/dbraw/zinc/07/46/63/874074663.db2.gz VPJQQMAJMJTWMW-YRVVQQKDSA-N 0 0 379.460 3.712 10 0 GHAERN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895883 874231347 /nfs/dbraw/zinc/23/13/47/874231347.db2.gz KURMUCPQJVIIFR-QGZVFWFLSA-N 0 0 397.544 3.597 10 0 GHAERN O=C(Nc1ccc(CN2CCOC2=O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104287137 874270968 /nfs/dbraw/zinc/27/09/68/874270968.db2.gz SISNOJACWWDTRG-UHFFFAOYSA-N 0 0 379.391 3.821 10 0 GHAERN O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@H]1Cn1ccnc1 ZINC000177750007 882823398 /nfs/dbraw/zinc/82/33/98/882823398.db2.gz MIBRVBNQHRBRCS-IWHGQQBYSA-N 0 0 392.434 3.914 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000177590319 882835330 /nfs/dbraw/zinc/83/53/30/882835330.db2.gz REEUXBTUPRVVJN-UHFFFAOYSA-N 0 0 399.410 3.615 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000104907786 874845752 /nfs/dbraw/zinc/84/57/52/874845752.db2.gz XOCUGMZBYHSJBD-IBGZPJMESA-N 0 0 383.451 3.630 10 0 GHAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC000105582005 875340907 /nfs/dbraw/zinc/34/09/07/875340907.db2.gz BTUFBJIIEVLOFU-HXUWFJFHSA-N 0 0 384.501 3.742 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179150429 882975363 /nfs/dbraw/zinc/97/53/63/882975363.db2.gz VYIQRGIPOVUSFI-MRXNPFEDSA-N 0 0 388.431 3.796 10 0 GHAERN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(n3cncn3)CC2)c1 ZINC000120615505 876176371 /nfs/dbraw/zinc/17/63/71/876176371.db2.gz ZNZURDVLLGHBLQ-JOCHJYFZSA-N 0 0 389.503 3.912 10 0 GHAERN COc1ccc([C@H](C)Nc2ccc(I)cn2)cc1OC ZINC000450262250 876181101 /nfs/dbraw/zinc/18/11/01/876181101.db2.gz RPQZDSKVTXNAER-JTQLQIEISA-N 0 0 384.217 3.877 10 0 GHAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000179560930 883009748 /nfs/dbraw/zinc/00/97/48/883009748.db2.gz TXBQPEIAOXDDNS-CQSZACIVSA-N 0 0 375.831 3.747 10 0 GHAERN Cc1coc(-c2ccc(C)c(NC(=O)NCCC(=O)Nc3ccc(C)cn3)c2)n1 ZINC000121159551 876571550 /nfs/dbraw/zinc/57/15/50/876571550.db2.gz KREMMZMNFJUCMV-UHFFFAOYSA-N 0 0 393.447 3.812 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCC[C@H]2Cn2ccnc2)s1)c1ccccc1 ZINC000180471971 883060814 /nfs/dbraw/zinc/06/08/14/883060814.db2.gz IYMROZZZRKEGIS-DLBZAZTESA-N 0 0 396.520 3.973 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180845145 883101829 /nfs/dbraw/zinc/10/18/29/883101829.db2.gz KNALFOABRMRNQR-NPYXIHBLSA-N 0 0 389.544 3.757 10 0 GHAERN CCS(=O)(=O)c1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000180909314 883110122 /nfs/dbraw/zinc/11/01/22/883110122.db2.gz ZYUAXNRNDBVLAB-UHFFFAOYSA-N 0 0 390.530 3.541 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCC[C@@H]3c3cccc(Br)c3)cnc21 ZINC000180955862 883111878 /nfs/dbraw/zinc/11/18/78/883111878.db2.gz FQJRPFJSIJSPBO-MRXNPFEDSA-N 0 0 385.265 3.708 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3sc(-c4cnn(C)c4)nc3C)C2)cc1 ZINC000121922201 878046335 /nfs/dbraw/zinc/04/63/35/878046335.db2.gz FUEGBCQOWLDACT-CJNGLKHVSA-N 0 0 396.516 3.879 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 ZINC000121950433 878063730 /nfs/dbraw/zinc/06/37/30/878063730.db2.gz UOUGBGODVOKBBA-UHFFFAOYSA-N 0 0 397.450 3.826 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Cc3c(C)nn(C(F)F)c3C)C2)cc1 ZINC000122000055 878082156 /nfs/dbraw/zinc/08/21/56/878082156.db2.gz KZKKTFQBKFYMFJ-LRDDRELGSA-N 0 0 377.435 3.851 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Cc3c(C)nn(C(F)F)c3C)C2)cc1 ZINC000122000462 878217202 /nfs/dbraw/zinc/21/72/02/878217202.db2.gz KZKKTFQBKFYMFJ-WBMJQRKESA-N 0 0 377.435 3.851 10 0 GHAERN C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ncncc1Cl)OCCO3 ZINC000175116471 878229220 /nfs/dbraw/zinc/22/92/20/878229220.db2.gz IBFSRAOLZPBZNN-CYBMUJFWSA-N 0 0 399.878 3.930 10 0 GHAERN C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000285434323 879314919 /nfs/dbraw/zinc/31/49/19/879314919.db2.gz PAVHTEVPNHIMGH-JKSBSHDWSA-N 0 0 399.512 3.700 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)CC1 ZINC000181395636 883147559 /nfs/dbraw/zinc/14/75/59/883147559.db2.gz HZCHNPFRAPULMC-UHFFFAOYSA-N 0 0 396.413 3.690 10 0 GHAERN CCCN1C(=O)CCc2cc(NC(=O)N3CCO[C@H](c4ccc(C)o4)C3)ccc21 ZINC000181491679 883158581 /nfs/dbraw/zinc/15/85/81/883158581.db2.gz NKUISRIMMVTOFT-FQEVSTJZSA-N 0 0 397.475 3.883 10 0 GHAERN CC[C@H](C)Oc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccn1 ZINC000182528948 883225667 /nfs/dbraw/zinc/22/56/67/883225667.db2.gz AUAKXJGNZAHCBJ-KRWDZBQOSA-N 0 0 387.524 3.514 10 0 GHAERN O=C(Nc1ccc2cccc(Cl)c2n1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000182722062 883233477 /nfs/dbraw/zinc/23/34/77/883233477.db2.gz WTNNTGOARRVVSJ-UHFFFAOYSA-N 0 0 394.862 3.774 10 0 GHAERN COc1cc([C@@H](C)Nc2ccccc2-n2ccc(C)n2)ccc1S(C)(=O)=O ZINC000183440216 883266316 /nfs/dbraw/zinc/26/63/16/883266316.db2.gz SUSOQBDDBPBYAZ-OAHLLOKOSA-N 0 0 385.489 3.766 10 0 GHAERN CSCCCCCCNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000183270044 883275117 /nfs/dbraw/zinc/27/51/17/883275117.db2.gz YYSQFMBPIKYGQB-UHFFFAOYSA-N 0 0 383.602 3.734 10 0 GHAERN CCc1ccc(CNC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184016249 883299173 /nfs/dbraw/zinc/29/91/73/883299173.db2.gz HWNSQAUGNJIIFS-IBGZPJMESA-N 0 0 389.496 3.742 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021205 883299267 /nfs/dbraw/zinc/29/92/67/883299267.db2.gz LUMDMXBVLKEZEA-RBBKRZOGSA-N 0 0 397.494 3.940 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCCC2(C)C)c2ccc(F)cc2C1 ZINC000184036554 883302977 /nfs/dbraw/zinc/30/29/77/883302977.db2.gz OBVMWBQWVSYICZ-RBUKOAKNSA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)n2)c2ccc(F)cc2C1 ZINC000184161552 883326263 /nfs/dbraw/zinc/32/62/63/883326263.db2.gz VHFKGEIJYYPUAZ-OAHLLOKOSA-N 0 0 396.249 3.751 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000184060353 883332579 /nfs/dbraw/zinc/33/25/79/883332579.db2.gz UGRWRJVNMLRQCS-BLLLJJGKSA-N 0 0 390.871 3.747 10 0 GHAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCC[C@H](c2nccs2)C1 ZINC000184680142 883373105 /nfs/dbraw/zinc/37/31/05/883373105.db2.gz VDEHAZXGLCZDNA-INIZCTEOSA-N 0 0 379.489 3.689 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CC[C@@]3(C2)OCc2ccccc23)ccc1OC ZINC000185070537 883416550 /nfs/dbraw/zinc/41/65/50/883416550.db2.gz RHLBVDNAWHMYNC-NMXNWIABSA-N 0 0 379.456 3.765 10 0 GHAERN CCC[C@H]1CCCCN1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185247160 883429608 /nfs/dbraw/zinc/42/96/08/883429608.db2.gz OZZMOFVLADNUSD-ICSRJNTNSA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cc(F)c(F)c(F)c2)c2ccc(F)cc2C1 ZINC000185359448 883440903 /nfs/dbraw/zinc/44/09/03/883440903.db2.gz CKXRHMFCBHRVKN-KRWDZBQOSA-N 0 0 395.356 3.858 10 0 GHAERN CCSc1ccc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cn1 ZINC000185505674 883547595 /nfs/dbraw/zinc/54/75/95/883547595.db2.gz RMIDJKVXORLSGT-GOSISDBHSA-N 0 0 387.480 3.556 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)c2ccc(F)cc2C1 ZINC000185522995 883550322 /nfs/dbraw/zinc/55/03/22/883550322.db2.gz VLSRVLSBPHCJKW-BUXKBTBVSA-N 0 0 387.455 3.534 10 0 GHAERN Cn1c2ccccc2nc1C(C)(C)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000185533646 883551715 /nfs/dbraw/zinc/55/17/15/883551715.db2.gz DXZNKNPTCGYEHV-UHFFFAOYSA-N 0 0 397.548 3.838 10 0 GHAERN COc1cccc(/C(C)=C/C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185538952 883552698 /nfs/dbraw/zinc/55/26/98/883552698.db2.gz PAXASSBNBMZHLX-QMUTUGEISA-N 0 0 396.462 3.847 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)c2ccc(F)cc2C1 ZINC000185559695 883556536 /nfs/dbraw/zinc/55/65/36/883556536.db2.gz SMSVKAPRASSLKH-MRXNPFEDSA-N 0 0 375.469 3.629 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)c2ccc(F)cc2C1 ZINC000185565335 883558578 /nfs/dbraw/zinc/55/85/78/883558578.db2.gz JSADXSLDVSUZAS-HXUWFJFHSA-N 0 0 393.462 3.768 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000185657160 883572127 /nfs/dbraw/zinc/57/21/27/883572127.db2.gz GFMZPVFUAPPATB-JKSUJKDBSA-N 0 0 389.421 3.696 10 0 GHAERN CC(C)(O)c1ccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000185943986 883590859 /nfs/dbraw/zinc/59/08/59/883590859.db2.gz KPFRNJUMECSZPQ-UHFFFAOYSA-N 0 0 385.483 3.839 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2c(C)noc2C2CC2)c2ccc(F)cc2C1 ZINC000185882169 883598671 /nfs/dbraw/zinc/59/86/71/883598671.db2.gz ZHUNVMPYXYCGKP-QGZVFWFLSA-N 0 0 386.427 3.615 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186444609 883646401 /nfs/dbraw/zinc/64/64/01/883646401.db2.gz LDHUHIQYUYNXOO-UHFFFAOYSA-N 0 0 378.501 3.866 10 0 GHAERN COc1ccc2nc(Cl)c(C(=O)N3CCCN(c4ccccn4)CC3)cc2c1 ZINC000186481980 883649379 /nfs/dbraw/zinc/64/93/79/883649379.db2.gz UBFGSXDSQIVQJC-UHFFFAOYSA-N 0 0 396.878 3.644 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccccc2)O1 ZINC000186574489 883664243 /nfs/dbraw/zinc/66/42/43/883664243.db2.gz CYVGMGFQBYQDRQ-AUUYWEPGSA-N 0 0 380.448 3.658 10 0 GHAERN CN1Cc2cc(NC(=O)NCC3(c4ccccc4)CCOCC3)ccc2NC1=O ZINC000186589014 883666868 /nfs/dbraw/zinc/66/68/68/883666868.db2.gz FASVJZUIVOCYQE-UHFFFAOYSA-N 0 0 394.475 3.534 10 0 GHAERN CC(C)COC[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccco1 ZINC000186591830 883666945 /nfs/dbraw/zinc/66/69/45/883666945.db2.gz PQQMESMOOFAEDJ-QGZVFWFLSA-N 0 0 386.452 3.792 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)cc1 ZINC000186618553 883674822 /nfs/dbraw/zinc/67/48/22/883674822.db2.gz JJEMAVNJLSRSKA-GOSISDBHSA-N 0 0 393.491 3.763 10 0 GHAERN C[C@@H](OCCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186642036 883678676 /nfs/dbraw/zinc/67/86/76/883678676.db2.gz NSJUKJCBAHHDQT-OAHLLOKOSA-N 0 0 382.464 3.953 10 0 GHAERN CN1Cc2cc(NC(=O)NCCCCOCCc3ccccc3)ccc2NC1=O ZINC000186631619 883679392 /nfs/dbraw/zinc/67/93/92/883679392.db2.gz XREJZBUZPRYWHZ-UHFFFAOYSA-N 0 0 396.491 3.825 10 0 GHAERN COc1ccc(C[C@@H](C)CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186650574 883680745 /nfs/dbraw/zinc/68/07/45/883680745.db2.gz VJCZTLFYDKMTIA-CQSZACIVSA-N 0 0 382.464 3.673 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(-n2cccn2)c1 ZINC000186659386 883682366 /nfs/dbraw/zinc/68/23/66/883682366.db2.gz FQNSTVMKMBJSDH-CQSZACIVSA-N 0 0 390.447 3.732 10 0 GHAERN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186660074 883683988 /nfs/dbraw/zinc/68/39/88/883683988.db2.gz ZYTLEZMAOOYZMX-FQEVSTJZSA-N 0 0 396.491 3.715 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC(COc4ccccc4)CC3)ccc2NC1=O ZINC000186666915 883684951 /nfs/dbraw/zinc/68/49/51/883684951.db2.gz IBAVLKYSKUFFGW-UHFFFAOYSA-N 0 0 394.475 3.987 10 0 GHAERN Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CC2)c1 ZINC000186701263 883693915 /nfs/dbraw/zinc/69/39/15/883693915.db2.gz LBUVULWHVRYPJD-UHFFFAOYSA-N 0 0 393.491 3.635 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)n1 ZINC000186763974 883700241 /nfs/dbraw/zinc/70/02/41/883700241.db2.gz HTBAMGNEADPOLG-UHFFFAOYSA-N 0 0 397.306 3.781 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3cccc4ccccc43)CC2)n1 ZINC000186779731 883701846 /nfs/dbraw/zinc/70/18/46/883701846.db2.gz URZOIRAPSNVXIU-WOJBJXKFSA-N 0 0 390.487 3.799 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000186850977 883723428 /nfs/dbraw/zinc/72/34/28/883723428.db2.gz VOYNQATWMDPWHX-YPMHNXCESA-N 0 0 380.491 3.899 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@](=O)Cc2nc(-c3ccccc3F)no2)n1 ZINC000187080773 883752924 /nfs/dbraw/zinc/75/29/24/883752924.db2.gz BSFJRTGJMJTALP-ZHZWEUQESA-N 0 0 396.469 3.522 10 0 GHAERN O=C(CCN1CCC(NC(=O)C2CCCCC2)CC1)c1ccc(F)cc1F ZINC000187214556 883767396 /nfs/dbraw/zinc/76/73/96/883767396.db2.gz BXGVRTGJZLJCRX-UHFFFAOYSA-N 0 0 378.463 3.699 10 0 GHAERN CC[C@H](CN(CC)C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000187416663 883790504 /nfs/dbraw/zinc/79/05/04/883790504.db2.gz RKDGDRURIUKEID-LJQANCHMSA-N 0 0 393.531 3.976 10 0 GHAERN O=C(N[C@H]1CCCOc2cc(F)ccc21)N1CCC(Nc2nccs2)CC1 ZINC000187769920 883807677 /nfs/dbraw/zinc/80/76/77/883807677.db2.gz LLWQUGNCNMSRKB-INIZCTEOSA-N 0 0 390.484 3.782 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3C)C2)c1 ZINC000188233354 883841982 /nfs/dbraw/zinc/84/19/82/883841982.db2.gz GCPOQQJAPVTVHR-INIZCTEOSA-N 0 0 382.460 3.600 10 0 GHAERN COc1ccc(C(=O)CCCCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000188674100 883869755 /nfs/dbraw/zinc/86/97/55/883869755.db2.gz ROLCPWYLOGQBDL-SFHVURJKSA-N 0 0 384.480 3.700 10 0 GHAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)cc1-c1ncco1 ZINC000188679384 883870151 /nfs/dbraw/zinc/87/01/51/883870151.db2.gz LKSWJXPQNLILHP-SFHVURJKSA-N 0 0 391.427 3.537 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)n1)C1CCN(C(=O)c2cccs2)CC1 ZINC000188913812 883883777 /nfs/dbraw/zinc/88/37/77/883883777.db2.gz CNYHBYWGAXIINF-UHFFFAOYSA-N 0 0 384.288 3.941 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2ccc(F)cc2C1 ZINC000189123626 883921490 /nfs/dbraw/zinc/92/14/90/883921490.db2.gz QIQRQAHPMQCLTA-QFIPXVFZSA-N 0 0 398.478 3.765 10 0 GHAERN O=S(=O)(Nc1cccc(-c2ncon2)c1)c1ccc(CC(F)(F)F)cc1 ZINC000189279719 883926322 /nfs/dbraw/zinc/92/63/22/883926322.db2.gz OZFADQXOMAYMHP-UHFFFAOYSA-N 0 0 383.351 3.642 10 0 GHAERN Fc1ccc(Cn2cc(CN[C@H](c3ncon3)c3ccc(Cl)cc3)cn2)cc1 ZINC000189370397 883941382 /nfs/dbraw/zinc/94/13/82/883941382.db2.gz OBYYIMNVEZKPGG-IBGZPJMESA-N 0 0 397.841 3.986 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(C)cc1 ZINC000189791969 883995071 /nfs/dbraw/zinc/99/50/71/883995071.db2.gz CTIVGEAEYFMJTN-NRFANRHFSA-N 0 0 392.499 3.657 10 0 GHAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189839877 884016226 /nfs/dbraw/zinc/01/62/26/884016226.db2.gz DFAMYJOIOSOYER-UHFFFAOYSA-N 0 0 394.500 3.561 10 0 GHAERN CCCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1OCC ZINC000190162319 884049760 /nfs/dbraw/zinc/04/97/60/884049760.db2.gz BVUWREJZXFCVRX-DLBZAZTESA-N 0 0 375.469 3.528 10 0 GHAERN Cc1sc(=O)n(CCC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1C ZINC000190273687 884063394 /nfs/dbraw/zinc/06/33/94/884063394.db2.gz ROLBKPYXFLNRCB-CQSZACIVSA-N 0 0 380.460 3.601 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC(Nc3nccs3)CC2)ccc1OC ZINC000190386746 884075174 /nfs/dbraw/zinc/07/51/74/884075174.db2.gz VSZXQUFWMVSWFC-FNORWQNLSA-N 0 0 387.505 3.667 10 0 GHAERN CC(C)Oc1ccc(N(C)C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000191657456 884194797 /nfs/dbraw/zinc/19/47/97/884194797.db2.gz VJRHWKRGPNVSOF-FQEVSTJZSA-N 0 0 381.476 3.527 10 0 GHAERN CCOC(=O)c1csc(C2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)n1 ZINC000191547985 884198297 /nfs/dbraw/zinc/19/82/97/884198297.db2.gz YDPYTNZSLLRWMZ-HNNXBMFYSA-N 0 0 391.320 3.610 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000191813516 884213513 /nfs/dbraw/zinc/21/35/13/884213513.db2.gz BKOPFOZRAHVKHB-WMZOPIPTSA-N 0 0 386.517 3.978 10 0 GHAERN C[C@@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000193257691 884334463 /nfs/dbraw/zinc/33/44/63/884334463.db2.gz QXXYTQKICREUMS-MLGOLLRUSA-N 0 0 389.402 3.774 10 0 GHAERN C[C@@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1cccc(OC(F)F)c1 ZINC000193257642 884335108 /nfs/dbraw/zinc/33/51/08/884335108.db2.gz DBCCBNCAECNPCJ-MLGOLLRUSA-N 0 0 389.402 3.774 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000193147468 884339448 /nfs/dbraw/zinc/33/94/48/884339448.db2.gz QADJNFBQNIJNTE-PXAZEXFGSA-N 0 0 392.286 3.870 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000193199353 884342528 /nfs/dbraw/zinc/34/25/28/884342528.db2.gz DMONDOUYPZFMNF-UONOGXRCSA-N 0 0 388.455 3.838 10 0 GHAERN COCCNC(=O)c1ccc(Cl)c(NC(=O)C(C)(C)c2ccccc2F)c1 ZINC000102727944 884382489 /nfs/dbraw/zinc/38/24/89/884382489.db2.gz USRABSJYTGBWOV-UHFFFAOYSA-N 0 0 392.858 3.772 10 0 GHAERN CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2nc(-c3ccoc3)no2)c1C ZINC000105713554 884841112 /nfs/dbraw/zinc/84/11/12/884841112.db2.gz MWHGHEUEPXEFSJ-UHFFFAOYSA-N 0 0 388.445 3.572 10 0 GHAERN CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)cc1F ZINC000105984441 884939297 /nfs/dbraw/zinc/93/92/97/884939297.db2.gz LINOYPRMQROLDU-INIZCTEOSA-N 0 0 387.451 3.830 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)Cc1coc2cc(OC)ccc12 ZINC000104263827 885351503 /nfs/dbraw/zinc/35/15/03/885351503.db2.gz LAXDUBSULZHHOZ-UHFFFAOYSA-N 0 0 376.416 3.901 10 0 GHAERN COc1ccccc1CCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000104459105 885452899 /nfs/dbraw/zinc/45/28/99/885452899.db2.gz IYCUXYHUGDHTJV-NRFANRHFSA-N 0 0 394.515 3.557 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1Br ZINC000151687903 885736577 /nfs/dbraw/zinc/73/65/77/885736577.db2.gz CVBMCHZCKJUIRF-GRDNDAEWSA-N 0 0 391.313 3.999 10 0 GHAERN CC[S@@](=O)c1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101531978 885946064 /nfs/dbraw/zinc/94/60/64/885946064.db2.gz FGMLTGGBAXXVGC-MHZLTWQESA-N 0 0 386.448 3.581 10 0 GHAERN CC(C)[C@@H](NC(=O)c1coc(Br)c1)c1nc(-c2cccnc2)no1 ZINC000102726489 885975289 /nfs/dbraw/zinc/97/52/89/885975289.db2.gz BRCZCPJZOARBTR-CYBMUJFWSA-N 0 0 391.225 3.614 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103129446 885984246 /nfs/dbraw/zinc/98/42/46/885984246.db2.gz IHISDRRTLQVVHF-QFIPXVFZSA-N 0 0 389.499 3.671 10 0 GHAERN COc1cccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)c1OC ZINC000103179336 885987223 /nfs/dbraw/zinc/98/72/23/885987223.db2.gz QNGOTFOLMSZVNM-HXUWFJFHSA-N 0 0 377.444 3.688 10 0 GHAERN Cc1sc2nc([C@H](C)N3CCC(Cc4nccn4C)CC3)nc(N)c2c1C ZINC000106164486 886026413 /nfs/dbraw/zinc/02/64/13/886026413.db2.gz AGHLRNPTGFILHC-ZDUSSCGKSA-N 0 0 384.553 3.640 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000106783068 886039340 /nfs/dbraw/zinc/03/93/40/886039340.db2.gz XODIZDZMYQNITD-XVJNWHFHSA-N 0 0 390.409 3.663 10 0 GHAERN O=C(c1csc(-c2ccoc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000108255240 886068814 /nfs/dbraw/zinc/06/88/14/886068814.db2.gz XSJNSWZEXUTWTA-UHFFFAOYSA-N 0 0 387.505 3.658 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CC=C(c2ccccc2)CC1 ZINC000030634607 886256026 /nfs/dbraw/zinc/25/60/26/886256026.db2.gz FDIJLPJCHLSOEA-MRXNPFEDSA-N 0 0 393.487 3.770 10 0 GHAERN Cc1noc(C)c1CCNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113618977 886297886 /nfs/dbraw/zinc/29/78/86/886297886.db2.gz YMYCASNUBHIEOV-SFHVURJKSA-N 0 0 393.491 3.813 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C(C)C)c3)CC2)n1 ZINC000116999748 886373788 /nfs/dbraw/zinc/37/37/88/886373788.db2.gz RLNVZMJHRPBVHN-UHFFFAOYSA-N 0 0 395.507 3.775 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)NCc2cccc(NC(=O)N(C)C)c2)n1 ZINC000119154790 886429986 /nfs/dbraw/zinc/42/99/86/886429986.db2.gz NRFRTNVYGPAQDC-IBGZPJMESA-N 0 0 381.480 3.530 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000332783502 886543483 /nfs/dbraw/zinc/54/34/83/886543483.db2.gz ZLJXFWBNISCJKC-QFHJOOASSA-N 0 0 377.529 3.642 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCC(=O)c3ccc(Cl)cc3)CC2)nc1 ZINC000124206708 886719224 /nfs/dbraw/zinc/71/92/24/886719224.db2.gz OLOJUATUOWHIHT-UHFFFAOYSA-N 0 0 385.895 3.792 10 0 GHAERN COc1ccc(CN(C)C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)cc1C ZINC000124440770 886749685 /nfs/dbraw/zinc/74/96/85/886749685.db2.gz GHKIAJJMTIBBCY-LJQANCHMSA-N 0 0 398.438 3.765 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@H](C)c2cccc(O)c2)c2ccccc2F)no1 ZINC000124697081 886786005 /nfs/dbraw/zinc/78/60/05/886786005.db2.gz JYJAROOVRUTROK-XIKOKIGWSA-N 0 0 384.411 3.715 10 0 GHAERN O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000043233303 886846244 /nfs/dbraw/zinc/84/62/44/886846244.db2.gz RKNQTLQOPXTTKA-NSHDSACASA-N 0 0 375.354 3.558 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125368249 886857511 /nfs/dbraw/zinc/85/75/11/886857511.db2.gz OQWNXAQIKWYDNZ-SNAWJCMRSA-N 0 0 375.904 3.643 10 0 GHAERN C[C@@H](CC(=O)c1cccs1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000125362665 886857618 /nfs/dbraw/zinc/85/76/18/886857618.db2.gz YRISYWKNDFOXJJ-GOEBONIOSA-N 0 0 385.489 3.522 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000125526339 886874367 /nfs/dbraw/zinc/87/43/67/886874367.db2.gz AZZQTSOFRMCNHG-AWEZNQCLSA-N 0 0 379.416 3.586 10 0 GHAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000125710851 886893709 /nfs/dbraw/zinc/89/37/09/886893709.db2.gz DVOJAZDBGBMPAW-UHFFFAOYSA-N 0 0 397.450 3.857 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC(c3cc[nH]n3)CC2)ccc1OC(F)F ZINC000125830532 886905546 /nfs/dbraw/zinc/90/55/46/886905546.db2.gz OEYMKTQFKZMKLU-GQCTYLIASA-N 0 0 391.418 3.829 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(-c3ccncc3)o2)cc1 ZINC000126020647 886924822 /nfs/dbraw/zinc/92/48/22/886924822.db2.gz GTFVVIXWROJLEV-QGZVFWFLSA-N 0 0 396.472 3.596 10 0 GHAERN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CC=C(c2ccccc2)CC1 ZINC000127227802 887043405 /nfs/dbraw/zinc/04/34/05/887043405.db2.gz MMNIQSFGTXTKBR-UHFFFAOYSA-N 0 0 391.439 3.541 10 0 GHAERN CN(Cc1cccc(Cl)c1Cl)C(=O)NC1CCN(c2ncccn2)CC1 ZINC000045711797 887089682 /nfs/dbraw/zinc/08/96/82/887089682.db2.gz ZEZCWCWIGNJFBM-UHFFFAOYSA-N 0 0 394.306 3.594 10 0 GHAERN COc1ccc([C@@H](NC(=O)CCCSC(C)(C)C)c2nccn2C)cc1 ZINC000128064442 887142437 /nfs/dbraw/zinc/14/24/37/887142437.db2.gz JABYKZYMHRGEKN-GOSISDBHSA-N 0 0 375.538 3.946 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H](C)c2oc3ccccc3c2C)CC1 ZINC000128370815 887177820 /nfs/dbraw/zinc/17/78/20/887177820.db2.gz JEVKTELCBGHGSD-AWEZNQCLSA-N 0 0 395.459 3.767 10 0 GHAERN Cc1cccc(CSCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000046335174 887181035 /nfs/dbraw/zinc/18/10/35/887181035.db2.gz JZQVTMXLCVHAFZ-GOSISDBHSA-N 0 0 384.549 3.910 10 0 GHAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000046335251 887181169 /nfs/dbraw/zinc/18/11/69/887181169.db2.gz ULPRWAJSLOEQDC-PBHICJAKSA-N 0 0 388.899 3.789 10 0 GHAERN COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000046748427 887225431 /nfs/dbraw/zinc/22/54/31/887225431.db2.gz XHKKVSXPPVFKGS-UHFFFAOYSA-N 0 0 378.900 3.650 10 0 GHAERN Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC000129256922 887274705 /nfs/dbraw/zinc/27/47/05/887274705.db2.gz WZMTZXGAOHFMLQ-INIZCTEOSA-N 0 0 391.427 3.571 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccc(NC(=O)[C@@H](C)OC)c1 ZINC000105021007 887312047 /nfs/dbraw/zinc/31/20/47/887312047.db2.gz XIJKOSAGJDHNLY-MRXNPFEDSA-N 0 0 384.480 3.542 10 0 GHAERN CC(C)CC(=O)N[C@H](C(=O)N1CCC(c2nc3ccccc3o2)CC1)C(C)C ZINC000048182500 887415192 /nfs/dbraw/zinc/41/51/92/887415192.db2.gz LXAFAPLGIDESSM-FQEVSTJZSA-N 0 0 385.508 3.721 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)CCO2)o1 ZINC000132006290 887598323 /nfs/dbraw/zinc/59/83/23/887598323.db2.gz ANEGROCLYYNCKR-SFHVURJKSA-N 0 0 388.851 3.582 10 0 GHAERN COCCOc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1F ZINC000132474273 887662095 /nfs/dbraw/zinc/66/20/95/887662095.db2.gz XMBJHLSQSWSTHM-UHFFFAOYSA-N 0 0 393.484 3.703 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cccnc3SCc3cc(C)on3)CCO2)o1 ZINC000133401491 887762617 /nfs/dbraw/zinc/76/26/17/887762617.db2.gz MLQXQFXRICVLOV-GOSISDBHSA-N 0 0 399.472 3.785 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(OCc4cccnc4)c3)CCO2)o1 ZINC000133739447 887795251 /nfs/dbraw/zinc/79/52/51/887795251.db2.gz IXRNNXAUXYYRDT-NRFANRHFSA-N 0 0 378.428 3.776 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000134284164 887848802 /nfs/dbraw/zinc/84/88/02/887848802.db2.gz UUACSPNYLBYIBW-RXVVDRJESA-N 0 0 391.471 3.798 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(OC(F)F)c1 ZINC000134644181 887894577 /nfs/dbraw/zinc/89/45/77/887894577.db2.gz ORULPBUOLRSHKV-CXAGYDPISA-N 0 0 377.391 3.607 10 0 GHAERN O=C(Nc1cccc(-c2cnco2)c1)c1ccncc1I ZINC000134780925 887911279 /nfs/dbraw/zinc/91/12/79/887911279.db2.gz JJLHZWKFCFMSCA-UHFFFAOYSA-N 0 0 391.168 3.594 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)/C=C/c1cccc2cccnc12)c1nccn1C ZINC000055438319 888170007 /nfs/dbraw/zinc/17/00/07/888170007.db2.gz AYEFXKDOZFYMHQ-MDRMPYQZSA-N 0 0 398.466 3.896 10 0 GHAERN O=C(C1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1)N1CCCCCC1 ZINC000055049647 888299199 /nfs/dbraw/zinc/29/91/99/888299199.db2.gz GCFXZMKEISJSQS-VXKWHMMOSA-N 0 0 398.547 3.796 10 0 GHAERN C[C@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000056561958 888366922 /nfs/dbraw/zinc/36/69/22/888366922.db2.gz PMOIARNEZPWVPZ-KRWDZBQOSA-N 0 0 391.475 3.581 10 0 GHAERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000194307646 888575880 /nfs/dbraw/zinc/57/58/80/888575880.db2.gz CLJZMBCHUHGKDE-INIZCTEOSA-N 0 0 391.393 3.973 10 0 GHAERN CC[C@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[C@H]1c1ccccc1 ZINC000245409285 888747410 /nfs/dbraw/zinc/74/74/10/888747410.db2.gz LJFGESUHBQQAQZ-MAUKXSAKSA-N 0 0 378.563 3.703 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000245680008 889212605 /nfs/dbraw/zinc/21/26/05/889212605.db2.gz JUQBWDBLGOWNLX-USXIJHARSA-N 0 0 390.553 3.724 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245711682 889392602 /nfs/dbraw/zinc/39/26/02/889392602.db2.gz ZWFVJHCOYWZOIS-PWRODBHTSA-N 0 0 396.535 3.807 10 0 GHAERN Cc1ccnc(Oc2ccc(NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)n1 ZINC000245735133 889563304 /nfs/dbraw/zinc/56/33/04/889563304.db2.gz BEVJZXWCROEXMJ-RCCFBDPRSA-N 0 0 380.448 3.656 10 0 GHAERN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245746648 889617908 /nfs/dbraw/zinc/61/79/08/889617908.db2.gz CSTCKVKWMOLLAB-KBAYOESNSA-N 0 0 385.895 3.581 10 0 GHAERN C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245756835 889651759 /nfs/dbraw/zinc/65/17/59/889651759.db2.gz YOAATPDWXUQUCV-MGPUTAFESA-N 0 0 375.875 3.616 10 0 GHAERN CCN(C(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000246161184 890528085 /nfs/dbraw/zinc/52/80/85/890528085.db2.gz UMGYWTHYZYMBQI-SJLPKXTDSA-N 0 0 399.514 3.541 10 0 GHAERN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246171957 890596869 /nfs/dbraw/zinc/59/68/69/890596869.db2.gz SKWTWQHDCRVNIT-QFBILLFUSA-N 0 0 389.503 3.584 10 0 GHAERN COc1ccc([C@H](C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246334290 891030610 /nfs/dbraw/zinc/03/06/10/891030610.db2.gz KUBDCAQRAHKUJS-JBYIUTFZSA-N 0 0 381.520 3.611 10 0 GHAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246376402 891085453 /nfs/dbraw/zinc/08/54/53/891085453.db2.gz AQWVPMGNNSKYBA-YLQAJVPDSA-N 0 0 377.510 3.582 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4cccs4)C3)cc2)CCO1 ZINC000246560179 891285161 /nfs/dbraw/zinc/28/51/61/891285161.db2.gz AGEZKBZVFILWKM-MAUKXSAKSA-N 0 0 387.505 3.579 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H](NC(C)=O)c3ccccc3)C2)cc1 ZINC000246736046 891302776 /nfs/dbraw/zinc/30/27/76/891302776.db2.gz XOHRVRKWHFWILR-SAWYMBPVSA-N 0 0 380.488 3.667 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@H](C)Cc3c(C)nn(C)c3C)C2)cc1 ZINC000246850511 891315763 /nfs/dbraw/zinc/31/57/63/891315763.db2.gz CJGPWXRLACGHFU-SPYBWZPUSA-N 0 0 384.524 3.564 10 0 GHAERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246923073 891324614 /nfs/dbraw/zinc/32/46/14/891324614.db2.gz RVYVBYORNXEPHD-BHIYHBOVSA-N 0 0 395.507 3.995 10 0 GHAERN CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247055432 891339713 /nfs/dbraw/zinc/33/97/13/891339713.db2.gz BCSYMKWHZJWGSQ-UIFIKXQLSA-N 0 0 383.561 3.979 10 0 GHAERN CCCc1c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)[nH]c(C)c1C(C)=O ZINC000247067568 891341403 /nfs/dbraw/zinc/34/14/03/891341403.db2.gz CBIOVHNEIKKBNV-FOIQADDNSA-N 0 0 396.535 3.514 10 0 GHAERN CC(=O)N(c1nc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cs1)C1CC1 ZINC000247272480 891361701 /nfs/dbraw/zinc/36/17/01/891361701.db2.gz WKVZSWNJQDEGCG-IAGOWNOFSA-N 0 0 391.562 3.808 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247402219 891374914 /nfs/dbraw/zinc/37/49/14/891374914.db2.gz MDQLPUGPMNUHCC-UAGQMJEPSA-N 0 0 376.403 3.626 10 0 GHAERN C[C@@H]1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1n1ccnc1 ZINC000247447791 891377891 /nfs/dbraw/zinc/37/78/91/891377891.db2.gz YOMSQGHMRZFMRJ-VQIMIIECSA-N 0 0 395.532 3.604 10 0 GHAERN CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)CC1 ZINC000249012305 891487625 /nfs/dbraw/zinc/48/76/25/891487625.db2.gz ZHOSDCMJGRCEDI-IYARVYRRSA-N 0 0 386.536 3.561 10 0 GHAERN COCCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249080788 891493969 /nfs/dbraw/zinc/49/39/69/891493969.db2.gz SMHZOCYIAMXTPV-WOJBJXKFSA-N 0 0 389.446 3.721 10 0 GHAERN Fc1ccc(CN2CCC[C@@H](N[C@@H](c3ncc[nH]3)c3ccncc3)C2)c(Cl)c1 ZINC000249088843 891494150 /nfs/dbraw/zinc/49/41/50/891494150.db2.gz NPWVXEJSRWKJCB-UYAOXDASSA-N 0 0 399.901 3.941 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000249171521 891500014 /nfs/dbraw/zinc/50/00/14/891500014.db2.gz LJGZAYFANKFQFV-YRPNKDGESA-N 0 0 386.517 3.561 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(Br)cc2C(F)(F)F)n1 ZINC000102034182 897990605 /nfs/dbraw/zinc/99/06/05/897990605.db2.gz FHEAAGLVPDJGIP-UHFFFAOYSA-N 0 0 393.163 3.524 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000102613816 898018991 /nfs/dbraw/zinc/01/89/91/898018991.db2.gz XBKWVSRDZKAMCX-UHFFFAOYSA-N 0 0 383.897 3.920 10 0 GHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000102904447 898046939 /nfs/dbraw/zinc/04/69/39/898046939.db2.gz ZJQXYNICYVEZQV-QRWLVFNGSA-N 0 0 399.466 3.959 10 0 GHAERN O=C(NCCCCNc1ccccn1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000105226203 898202454 /nfs/dbraw/zinc/20/24/54/898202454.db2.gz ZCHHQEHTQXQRKH-UHFFFAOYSA-N 0 0 397.454 3.610 10 0 GHAERN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)[C@@H]1CCc2ccccc21 ZINC000333026667 899902478 /nfs/dbraw/zinc/90/24/78/899902478.db2.gz GOEXXKXBBPSZEI-IEBWSBKVSA-N 0 0 395.503 3.969 10 0 GHAERN Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000333047289 899919418 /nfs/dbraw/zinc/91/94/18/899919418.db2.gz PQRGQXRCSZMTEZ-NVXWUHKLSA-N 0 0 390.871 3.610 10 0 GHAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)cn1 ZINC000333317983 902003012 /nfs/dbraw/zinc/00/30/12/902003012.db2.gz WKVGFJZRFOYJQP-NBHGPNQESA-N 0 0 381.520 3.952 10 0 GHAERN O=C(NC1CCC2(CC2)CC1)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000333494508 902133834 /nfs/dbraw/zinc/13/38/34/902133834.db2.gz UZNQGMUVOZYYKP-SFHVURJKSA-N 0 0 383.517 3.522 10 0 GHAERN C[C@@H](c1ccccc1Cl)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333499260 902136727 /nfs/dbraw/zinc/13/67/27/902136727.db2.gz VYCWJDLAMIUSIL-XHSDSOJGSA-N 0 0 377.916 3.834 10 0 GHAERN O=C(Nc1cccc2c(Br)ccnc12)N1CC[C@@H](O)CC12CCC2 ZINC000333769060 902320610 /nfs/dbraw/zinc/32/06/10/902320610.db2.gz DZZZPDUWZXXULR-GFCCVEGCSA-N 0 0 390.281 3.909 10 0 GHAERN O=C1CC2(CCCCC2)N(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)N1 ZINC000333830272 902354679 /nfs/dbraw/zinc/35/46/79/902354679.db2.gz LBQAOLHEVMODLM-UHFFFAOYSA-N 0 0 381.263 3.983 10 0 GHAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333985903 902481713 /nfs/dbraw/zinc/48/17/13/902481713.db2.gz GPTXDELIDCKOIN-GBESFXJTSA-N 0 0 381.520 3.703 10 0 GHAERN Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)cc12 ZINC000334006202 902496081 /nfs/dbraw/zinc/49/60/81/902496081.db2.gz UFJJRXFVQQCAPT-YQQAZPJKSA-N 0 0 381.501 3.628 10 0 GHAERN CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000334070063 902538370 /nfs/dbraw/zinc/53/83/70/902538370.db2.gz GPHXKKUPCGSVHU-SMLCLMEVSA-N 0 0 392.462 3.723 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000103617189 903988586 /nfs/dbraw/zinc/98/85/86/903988586.db2.gz KBCJFRPUDMEWEI-QGZVFWFLSA-N 0 0 376.501 3.623 10 0 GHAERN CC(=O)NCc1ccc(C(=O)OCCCc2ccc(OC(C)C)cc2)s1 ZINC000103674526 904498719 /nfs/dbraw/zinc/49/87/19/904498719.db2.gz SDASCEJOMVHHQI-UHFFFAOYSA-N 0 0 375.490 3.961 10 0 GHAERN CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3c3nc[nH]n3)n2)cc1 ZINC000181179763 906933991 /nfs/dbraw/zinc/93/39/91/906933991.db2.gz BOQQEGXRKFPGBO-QGZVFWFLSA-N 0 0 394.479 3.665 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000183077043 907324045 /nfs/dbraw/zinc/32/40/45/907324045.db2.gz IHFKZPAMVZACRK-GOSISDBHSA-N 0 0 387.484 3.505 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(CN3CCCC3=O)cc2)cs1 ZINC000186248704 907895898 /nfs/dbraw/zinc/89/58/98/907895898.db2.gz GMEPDDQAVNRNSY-IBGZPJMESA-N 0 0 398.532 3.621 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)N2CCc3sccc3C2)cs1 ZINC000187102748 908037650 /nfs/dbraw/zinc/03/76/50/908037650.db2.gz WPSOOPMCYMBHLQ-INIZCTEOSA-N 0 0 389.546 3.542 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000188944367 908264238 /nfs/dbraw/zinc/26/42/38/908264238.db2.gz YWGQBSJNGUSGGH-INIZCTEOSA-N 0 0 394.522 3.582 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cs1 ZINC000188941809 908264641 /nfs/dbraw/zinc/26/46/41/908264641.db2.gz RQZYRJGHQSRGQE-KRWDZBQOSA-N 0 0 398.488 3.782 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2cccc(C(F)(F)F)c2)C1 ZINC000189132572 908287651 /nfs/dbraw/zinc/28/76/51/908287651.db2.gz BZRJDJRNYTXGPE-JKSUJKDBSA-N 0 0 397.397 3.708 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000189449195 908324638 /nfs/dbraw/zinc/32/46/38/908324638.db2.gz QFDAOZBNBARPNY-DZGCQCFKSA-N 0 0 376.482 3.872 10 0 GHAERN CSCCc1ccc(NC(=O)C(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000189461284 908328198 /nfs/dbraw/zinc/32/81/98/908328198.db2.gz GMSNBUUQQMYGHP-KRWDZBQOSA-N 0 0 389.546 3.659 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)C1 ZINC000190042071 908409908 /nfs/dbraw/zinc/40/99/08/908409908.db2.gz LSCVTOIHHWBCAF-YWZLYKJASA-N 0 0 392.459 3.714 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)C1 ZINC000190042030 908410005 /nfs/dbraw/zinc/41/00/05/908410005.db2.gz LSCVTOIHHWBCAF-FOIQADDNSA-N 0 0 392.459 3.714 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cs1 ZINC000190049990 908412955 /nfs/dbraw/zinc/41/29/55/908412955.db2.gz NQHPPNIJUNBUHF-INIZCTEOSA-N 0 0 397.508 3.920 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000190128259 908434248 /nfs/dbraw/zinc/43/42/48/908434248.db2.gz VHNORYYXEBKUID-MFKMUULPSA-N 0 0 388.321 3.530 10 0 GHAERN O=C(c1ccc(I)cc1)N1CCC[C@@H]1c1nccs1 ZINC000372127492 925176650 /nfs/dbraw/zinc/17/66/50/925176650.db2.gz CRHOPPWEVLPFEA-GFCCVEGCSA-N 0 0 384.242 3.725 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccccc3C[S@](C)=O)C2)cc1 ZINC000184288181 1014574070 /nfs/dbraw/zinc/57/40/70/1014574070.db2.gz IZIFVQHUGDGCNU-BBXQPJIDSA-N 0 0 386.517 3.984 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2nc(C3CC3)cs2)c2ccc(F)cc2C1 ZINC000185531955 1014584993 /nfs/dbraw/zinc/58/49/93/1014584993.db2.gz XVDDKKYWPHZHRF-MRXNPFEDSA-N 0 0 388.468 3.775 10 0 GHAERN CCCC[C@](C)(O)C/C=C\[C@@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC ZINC000078278560 203814462 /nfs/dbraw/zinc/81/44/62/203814462.db2.gz OJLOPKGSLYJEMD-PALLVIECSA-N 0 0 382.541 3.954 10 0 in-vitro GHAERN CC(C)c1ccc2nc(NC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1 ZINC000004348488 204040608 /nfs/dbraw/zinc/04/06/08/204040608.db2.gz BJMWOJBHSOKGTP-UHFFFAOYSA-N 0 0 379.441 3.654 10 0 GHAERN Cc1nc2ccccc2c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 ZINC000004240867 204034749 /nfs/dbraw/zinc/03/47/49/204034749.db2.gz DFXSKKKOPICRMO-UHFFFAOYSA-N 0 0 392.484 3.794 10 0 GHAERN O=C(Nc1ccccc1F)[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000004880189 204085997 /nfs/dbraw/zinc/08/59/97/204085997.db2.gz QQYRECWVILUWTC-KRWDZBQOSA-N 0 0 390.461 3.546 10 0 GHAERN CCCN1C(=O)CN(C2CCCCC2)C(=O)[C@H]1c1ccc(OCC)c(OC)c1 ZINC000004672670 204062275 /nfs/dbraw/zinc/06/22/75/204062275.db2.gz OBDAPYFEZLYYMU-OAQYLSRUSA-N 0 0 388.508 3.549 10 0 GHAERN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803384 204208493 /nfs/dbraw/zinc/20/84/93/204208493.db2.gz RWSVCXKNJBEXET-SFHVURJKSA-N 0 0 392.434 3.995 10 0 GHAERN COc1ccccc1/C=c1\sc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1=O ZINC000006364099 204176044 /nfs/dbraw/zinc/17/60/44/204176044.db2.gz KJFDKBCPSCQGIA-AQTBWJFISA-N 0 0 391.496 3.672 10 0 GHAERN O=C(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000006775274 204202984 /nfs/dbraw/zinc/20/29/84/204202984.db2.gz BXXAMBJDNVLJPU-QFIPXVFZSA-N 0 0 377.419 3.588 10 0 GHAERN Cc1nc2c(s1)c(-c1ccccc1)nn(CC(=O)Nc1ccccc1C)c2=O ZINC000008954976 204293525 /nfs/dbraw/zinc/29/35/25/204293525.db2.gz FINJGJGKMGEBQC-UHFFFAOYSA-N 0 0 390.468 3.776 10 0 GHAERN CC[C@@H](C)CC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccoc2C)C1 ZINC000011913190 204360488 /nfs/dbraw/zinc/36/04/88/204360488.db2.gz ANWPVIDRIZKCFK-CQSZACIVSA-N 0 0 383.492 3.542 10 0 GHAERN COc1ccc(-c2ccc(C(=O)N3CCC(CCC(=O)NC4CC4)CC3)o2)cc1 ZINC000011933792 204362564 /nfs/dbraw/zinc/36/25/64/204362564.db2.gz ZFZVPSNMWQNNPS-UHFFFAOYSA-N 0 0 396.487 3.866 10 0 GHAERN O=C1CCCCN1c1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000012198765 204380880 /nfs/dbraw/zinc/38/08/80/204380880.db2.gz NHMIWEQETMAEKO-FQEVSTJZSA-N 0 0 384.501 3.559 10 0 GHAERN COCCCNC(=O)C1(c2ccc(NC(=O)c3ccc(OC)cc3)cc2)CCC1 ZINC000013350818 204487607 /nfs/dbraw/zinc/48/76/07/204487607.db2.gz VZLDOGHSCRGBCY-UHFFFAOYSA-N 0 0 396.487 3.522 10 0 GHAERN O=C(Oc1cc(F)c(F)c(F)c1)c1ccc(I)cc1 ZINC000016158218 204591095 /nfs/dbraw/zinc/59/10/95/204591095.db2.gz LGGHSNKLIOHNME-UHFFFAOYSA-N 0 0 378.087 3.928 10 0 GHAERN CN(C(=O)CSc1nccn(-c2ccc(Cl)cc2)c1=O)c1ccccc1 ZINC000020986850 204748578 /nfs/dbraw/zinc/74/85/78/204748578.db2.gz PHZVNKMBWAJGRW-UHFFFAOYSA-N 0 0 385.876 3.641 10 0 GHAERN FC(F)(F)c1cc2[nH]nc(I)c2c(Br)c1 ZINC000014986014 205180494 /nfs/dbraw/zinc/18/04/94/205180494.db2.gz IGOIJJKIDMAMMX-UHFFFAOYSA-N 0 0 390.928 3.949 10 0 GHAERN Cc1ccc(C(=O)N2CCC(COc3ccc(C(=O)NC4CC4)cc3)CC2)s1 ZINC000065180136 205215397 /nfs/dbraw/zinc/21/53/97/205215397.db2.gz PVNXMTZFMFUAFF-UHFFFAOYSA-N 0 0 398.528 3.880 10 0 GHAERN CC(C)C(=O)NCc1csc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000065173281 205216243 /nfs/dbraw/zinc/21/62/43/205216243.db2.gz ZNFQYLDULFNOJG-OAHLLOKOSA-N 0 0 389.496 3.574 10 0 GHAERN COc1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cc(Cl)c1O ZINC000067688497 205254288 /nfs/dbraw/zinc/25/42/88/205254288.db2.gz OMVJGRSNCXJVTQ-OAHLLOKOSA-N 0 0 390.867 3.859 10 0 GHAERN COC(=O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000083317392 205389587 /nfs/dbraw/zinc/38/95/87/205389587.db2.gz HZCWALJOVVPETG-GOTSBHOMSA-N 0 0 387.479 3.587 10 0 GHAERN CC(C)(C)CC(=O)N1C[C@H](c2nc(-c3ccccc3)no2)C2(C1)CCOCC2 ZINC000096310298 205557337 /nfs/dbraw/zinc/55/73/37/205557337.db2.gz FPAGSOOPOXKIDE-QGZVFWFLSA-N 0 0 383.492 3.895 10 0 GHAERN Cc1noc2nc(CCC(=O)N3CCCCCC3)nc(N3C[C@H](C)C[C@H](C)C3)c12 ZINC000065056653 136158959 /nfs/dbraw/zinc/15/89/59/136158959.db2.gz ZRJIOGNCHNNEQS-IYBDPMFKSA-N 0 0 399.539 3.744 10 0 GHAERN O=C(Nc1cccc(Cl)c1)C1CCN(c2cncnc2N2CCCC2)CC1 ZINC000065226335 136160339 /nfs/dbraw/zinc/16/03/39/136160339.db2.gz GKJCYSJKEYGVAW-UHFFFAOYSA-N 0 0 385.899 3.585 10 0 GHAERN CC(C)(C)OC(=O)NCC1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000095087873 136177788 /nfs/dbraw/zinc/17/77/88/136177788.db2.gz KWCBGOBQRUZAQM-UHFFFAOYSA-N 0 0 397.523 3.945 10 0 GHAERN CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)[C@@]2(F)C1 ZINC000306950365 526428068 /nfs/dbraw/zinc/42/80/68/526428068.db2.gz YRULFPYQAOEHCA-TWOQFEAHSA-N 0 0 378.444 3.650 10 0 GHAERN COc1cc(/C=C2\CCCC(C)(C)[C@@]2(O)Cn2ccnc2)cc(OC)c1OC ZINC000020568385 570268565 /nfs/dbraw/zinc/26/85/65/570268565.db2.gz FNJIDFGLYIDTEK-JRVGGCGHSA-N 0 0 386.492 3.934 10 0 GHAERN Cc1nc2n(n1)[C@@H](c1ccc(O)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000020804757 570281585 /nfs/dbraw/zinc/28/15/85/570281585.db2.gz GLHHXGNPOQFYET-FQEVSTJZSA-N 0 0 389.459 3.837 10 0 GHAERN Cc1nc2n(n1)[C@H](c1ccc(O)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000020804755 570281659 /nfs/dbraw/zinc/28/16/59/570281659.db2.gz GLHHXGNPOQFYET-HXUWFJFHSA-N 0 0 389.459 3.837 10 0 GHAERN COc1cc2c(cc1OC)[C@H](CNC(=O)NC(C)C)N(Cc1ccccc1)CC2 ZINC000034857329 570341853 /nfs/dbraw/zinc/34/18/53/570341853.db2.gz PCEPVISICGJNMA-FQEVSTJZSA-N 0 0 397.519 3.511 10 0 GHAERN COc1cc2c(cc1OC)[C@@H](CNC(=O)C(C)C)N(Cc1cccc(C)c1)CC2 ZINC000034857487 570341955 /nfs/dbraw/zinc/34/19/55/570341955.db2.gz SVYUGAUWXWAJIH-OAQYLSRUSA-N 0 0 396.531 3.884 10 0 GHAERN Cc1cc(C(=O)NCCC(=O)NC(c2ccccc2)c2ccccc2)c(C)o1 ZINC000035809188 570454850 /nfs/dbraw/zinc/45/48/50/570454850.db2.gz URRWULYMANQZCU-UHFFFAOYSA-N 0 0 376.456 3.922 10 0 GHAERN CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cc1CO ZINC000015064185 570723345 /nfs/dbraw/zinc/72/33/45/570723345.db2.gz AIZWLCRYRJNRPB-FQEVSTJZSA-N 0 0 398.503 3.771 10 0 GHAERN O=C(c1ccccn1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=NC1CCCC1 ZINC000065259989 570761891 /nfs/dbraw/zinc/76/18/91/570761891.db2.gz KESWULVMOIHOFD-QHCPKHFHSA-N 0 0 389.503 3.744 10 0 GHAERN CCc1cc(Sc2ccccc2NC(=O)c2ccco2)n2nc(C)nc2n1 ZINC000033257082 570863928 /nfs/dbraw/zinc/86/39/28/570863928.db2.gz OSTJHAGQAJKLIN-UHFFFAOYSA-N 0 0 379.445 3.992 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000105092579 837516223 /nfs/dbraw/zinc/51/62/23/837516223.db2.gz VGPMMNOWSUONHB-OAQYLSRUSA-N 0 0 393.443 3.706 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1nc(C)cs1 ZINC000105304264 837535136 /nfs/dbraw/zinc/53/51/36/837535136.db2.gz RPGNXIHGAQKPMI-QGZVFWFLSA-N 0 0 392.569 3.773 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccs1 ZINC000105995355 837673658 /nfs/dbraw/zinc/67/36/58/837673658.db2.gz AZOAHBXUVMFRJW-QMTHXVAHSA-N 0 0 398.315 3.932 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1N(C)C ZINC000106138439 837687724 /nfs/dbraw/zinc/68/77/24/837687724.db2.gz IKKWECGIFIKGIO-UHFFFAOYSA-N 0 0 383.467 3.691 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c2ccccc2O1 ZINC000152729822 834528611 /nfs/dbraw/zinc/52/86/11/834528611.db2.gz RFODDQWXIUXYBR-AZUAARDMSA-N 0 0 382.460 3.778 10 0 GHAERN Cc1cc2ncc(C(=O)N3C[C@H](c4ccccc4Cl)OCC3(C)C)c(C)n2n1 ZINC000329230115 834592158 /nfs/dbraw/zinc/59/21/58/834592158.db2.gz JTXJWAFDKMNSEL-GOSISDBHSA-N 0 0 398.894 3.992 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067061528 834706080 /nfs/dbraw/zinc/70/60/80/834706080.db2.gz HHTLDNFQQGOTML-ZWKOTPCHSA-N 0 0 380.444 3.828 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121785790 834870948 /nfs/dbraw/zinc/87/09/48/834870948.db2.gz DITSARSTPJEYFN-ZSFPCNDZSA-N 0 0 393.325 3.642 10 0 GHAERN O=C1NC2(CCCCC2)C(=O)N1[C@H]1CCOc2ccc(Br)cc21 ZINC000329368198 834920488 /nfs/dbraw/zinc/92/04/88/834920488.db2.gz LFVMHWFGKWTPET-ZDUSSCGKSA-N 0 0 379.254 3.732 10 0 GHAERN COCCn1c(C)c(C)nc1[S@](=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000108070569 835050260 /nfs/dbraw/zinc/05/02/60/835050260.db2.gz ADEGBKMLWWLRGV-SANMLTNESA-N 0 0 393.896 3.763 10 0 GHAERN COc1ccccc1N1CC[C@H](NC(=O)N2CCC[C@H]2c2csc(C)n2)C1 ZINC000187158795 835097965 /nfs/dbraw/zinc/09/79/65/835097965.db2.gz RJXYTODQYASGBT-RDJZCZTQSA-N 0 0 386.521 3.586 10 0 GHAERN O=C(N1CCC[C@H](Cn2cncn2)C1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000121855134 835117327 /nfs/dbraw/zinc/11/73/27/835117327.db2.gz KAVLYDSTGQHRHH-SFHVURJKSA-N 0 0 386.927 3.973 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c(Br)s1 ZINC000408470428 835338273 /nfs/dbraw/zinc/33/82/73/835338273.db2.gz VUZJQGGFYMQRKG-HWWQOWPSSA-N 0 0 387.343 3.760 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)sc1C ZINC000329637845 835493917 /nfs/dbraw/zinc/49/39/17/835493917.db2.gz YRYJNQVXZGBGBP-ZDUSSCGKSA-N 0 0 387.534 3.637 10 0 GHAERN Cc1nc2cc(NC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2o1 ZINC000158919681 835652386 /nfs/dbraw/zinc/65/23/86/835652386.db2.gz MXMMJBQLBYISRP-UHFFFAOYSA-N 0 0 384.480 3.783 10 0 GHAERN Cc1ccc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3OC(F)F)CCO2)o1 ZINC000159057233 835706844 /nfs/dbraw/zinc/70/68/44/835706844.db2.gz GSGMBGRTLVVYLO-GUYCJALGSA-N 0 0 380.391 3.590 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@]34CCOc3ccccc34)C2)no1 ZINC000329705332 835739263 /nfs/dbraw/zinc/73/92/63/835739263.db2.gz JHFUNBZVUSMKLX-ZDPZECHZSA-N 0 0 381.476 3.639 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc(OC4CCCCC4)cc3)CCO2)n1 ZINC000117798839 836441954 /nfs/dbraw/zinc/44/19/54/836441954.db2.gz FBSQORJTNABYHQ-QFIPXVFZSA-N 0 0 397.519 3.753 10 0 GHAERN O=C(C(=O)N1CCCC[C@@H]1c1nccs1)N1CC2(CCC2)c2c1cccc2F ZINC000408412447 844165859 /nfs/dbraw/zinc/16/58/59/844165859.db2.gz QBYINHUHIMUSGF-MRXNPFEDSA-N 0 0 399.491 3.804 10 0 GHAERN Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328648991 836543979 /nfs/dbraw/zinc/54/39/79/836543979.db2.gz AMWHXYCDYVXBHQ-KZULUSFZSA-N 0 0 381.307 3.920 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@H](C)c3cccc(Cl)c3)C2)nn1 ZINC000332892257 836893882 /nfs/dbraw/zinc/89/38/82/836893882.db2.gz GJQFKOGTWNBCMU-CRAIPNDOSA-N 0 0 387.915 3.810 10 0 GHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000275376240 836944469 /nfs/dbraw/zinc/94/44/69/836944469.db2.gz OLJWDUUCHUASMF-JSGCOSHPSA-N 0 0 375.494 3.593 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]2C ZINC000408419971 844234155 /nfs/dbraw/zinc/23/41/55/844234155.db2.gz QJMAQKNYHRHPSC-RDBSUJKOSA-N 0 0 387.450 3.856 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177502 837273328 /nfs/dbraw/zinc/27/33/28/837273328.db2.gz IHXZGNHZPRAESZ-JOCHJYFZSA-N 0 0 383.455 3.856 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)o1 ZINC000408052031 838003418 /nfs/dbraw/zinc/00/34/18/838003418.db2.gz MVLCICMROMJFDA-CQSZACIVSA-N 0 0 394.884 3.508 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000152236829 838216019 /nfs/dbraw/zinc/21/60/19/838216019.db2.gz XGISTDAVJFCDCH-HNNXBMFYSA-N 0 0 394.306 3.750 10 0 GHAERN Brc1ccc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)s1 ZINC000114455676 838224498 /nfs/dbraw/zinc/22/44/98/838224498.db2.gz WFDIGMSENUUQRL-QWRGUYRKSA-N 0 0 384.299 3.704 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333219903 844314657 /nfs/dbraw/zinc/31/46/57/844314657.db2.gz LZVLKXMCYDCWLB-MCTLKSGKSA-N 0 0 397.928 3.611 10 0 GHAERN Cc1noc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)c(C)c(Cl)c3)C2)n1 ZINC000179285342 838537952 /nfs/dbraw/zinc/53/79/52/838537952.db2.gz WURZQIXUDCMOGL-NSHDSACASA-N 0 0 390.292 3.562 10 0 GHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330185847 838641433 /nfs/dbraw/zinc/64/14/33/838641433.db2.gz JJRZXVKZIFJRNN-IFXJQAMLSA-N 0 0 375.856 3.576 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000182533372 838751586 /nfs/dbraw/zinc/75/15/86/838751586.db2.gz NYMMTLKGIIMPTL-QFYYESIMSA-N 0 0 389.240 3.886 10 0 GHAERN O=C(N1CCC(n2cncn2)CC1)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000176293508 839915412 /nfs/dbraw/zinc/91/54/12/839915412.db2.gz XGNCGHFGLXWNEQ-UHFFFAOYSA-N 0 0 379.291 3.870 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(OC2CCCCC2)c1 ZINC000119087603 840033105 /nfs/dbraw/zinc/03/31/05/840033105.db2.gz IXRZWYSHMAPZMQ-GOSISDBHSA-N 0 0 380.492 3.587 10 0 GHAERN O=C(CCCOc1cccc(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000108469772 840203416 /nfs/dbraw/zinc/20/34/16/840203416.db2.gz RDBYWDLKUWHJBI-UHFFFAOYSA-N 0 0 390.499 3.626 10 0 GHAERN O=C(OC/C=C\c1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000588391195 840331343 /nfs/dbraw/zinc/33/13/43/840331343.db2.gz BULCAZSOYFWPPC-IMMZDGJCSA-N 0 0 381.394 3.910 10 0 GHAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000109502530 840363373 /nfs/dbraw/zinc/36/33/73/840363373.db2.gz GTGIPAUWXMEIOT-UHFFFAOYSA-N 0 0 389.440 3.537 10 0 GHAERN O=C(C=Cc1ccncn1)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000588393355 840401094 /nfs/dbraw/zinc/40/10/94/840401094.db2.gz UBLULUPPVVTXQC-UTCJRWHESA-N 0 0 377.354 3.950 10 0 GHAERN O=C1Nc2ccccc2[C@H]1Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000109583472 840453401 /nfs/dbraw/zinc/45/34/01/840453401.db2.gz CJAQDESJBNTWDD-LJQANCHMSA-N 0 0 398.422 3.989 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110622475 840601803 /nfs/dbraw/zinc/60/18/03/840601803.db2.gz CJZNOCLAUMCROC-HUUCEWRRSA-N 0 0 387.270 3.994 10 0 GHAERN CCO[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCCC2 ZINC000332776917 844563238 /nfs/dbraw/zinc/56/32/38/844563238.db2.gz MRYQXWWOYWRVQC-BTHPGYMESA-N 0 0 389.540 3.786 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000247202450 840685424 /nfs/dbraw/zinc/68/54/24/840685424.db2.gz VBWQCLBTJSTIMI-DRZSPHRISA-N 0 0 379.291 3.902 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000106223001 840805349 /nfs/dbraw/zinc/80/53/49/840805349.db2.gz RHGDHKMZMQYNNH-WMLDXEAASA-N 0 0 391.313 3.618 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000106223004 840806185 /nfs/dbraw/zinc/80/61/85/840806185.db2.gz RHGDHKMZMQYNNH-YOEHRIQHSA-N 0 0 391.313 3.618 10 0 GHAERN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000328792542 841459483 /nfs/dbraw/zinc/45/94/83/841459483.db2.gz RKJHCRSNAMBAJE-NHCUHLMSSA-N 0 0 388.471 3.718 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3c3noc(C)n3)c12 ZINC000329318485 861279565 /nfs/dbraw/zinc/27/95/65/861279565.db2.gz QWPMUXHQFLMZNF-INIZCTEOSA-N 0 0 381.436 3.721 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)CC2)oc1C ZINC000153091421 842256217 /nfs/dbraw/zinc/25/62/17/842256217.db2.gz HTRWNIKKNZWSQH-MGPUTAFESA-N 0 0 382.508 3.757 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000153865308 842285828 /nfs/dbraw/zinc/28/58/28/842285828.db2.gz KVGBIMXYGPEQKR-FCHUYYIVSA-N 0 0 382.479 3.517 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)C3C[C@@H](C)O[C@H](C)C3)CC2)cc1Cl ZINC000094017210 842416488 /nfs/dbraw/zinc/41/64/88/842416488.db2.gz KTNFTNZEJFNOBZ-HUUCEWRRSA-N 0 0 393.915 3.528 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000588434409 842490189 /nfs/dbraw/zinc/49/01/89/842490189.db2.gz IZNNVFXBVSHOJD-PLNGDYQASA-N 0 0 386.414 3.992 10 0 GHAERN CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2)no1 ZINC000328845446 842556289 /nfs/dbraw/zinc/55/62/89/842556289.db2.gz VHVCSEHSCWKUBM-HZPDHXFCSA-N 0 0 382.464 3.516 10 0 GHAERN CCCOc1ccc(Oc2ncccc2CNC(=O)/C=C\c2ccncn2)cc1 ZINC000588437190 842594656 /nfs/dbraw/zinc/59/46/56/842594656.db2.gz QJKQXGCKUYQDTE-YHYXMXQVSA-N 0 0 390.443 3.782 10 0 GHAERN Cc1nn(C)c2sc(C(=O)N3CCC[C@@H]3c3nc4c(n3C)CCCC4)cc12 ZINC000279228248 842740245 /nfs/dbraw/zinc/74/02/45/842740245.db2.gz PVTIEANDEKKCTO-MRXNPFEDSA-N 0 0 383.521 3.533 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000328898294 842846113 /nfs/dbraw/zinc/84/61/13/842846113.db2.gz DDUNKBGIIGLYAY-IBGZPJMESA-N 0 0 378.480 3.600 10 0 GHAERN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000328959195 843197871 /nfs/dbraw/zinc/19/78/71/843197871.db2.gz OWWYDQMSODKPPE-FGZHOGPDSA-N 0 0 396.535 3.710 10 0 GHAERN CCCOCCOC(=O)c1ccnc(NCc2nnc(-c3ccccc3)s2)c1 ZINC000162569328 843276739 /nfs/dbraw/zinc/27/67/39/843276739.db2.gz JXZZUCIDDCJUPD-UHFFFAOYSA-N 0 0 398.488 3.796 10 0 GHAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)n1 ZINC000408388086 843288976 /nfs/dbraw/zinc/28/89/76/843288976.db2.gz ZAHCXGZEDHEFLE-MAUKXSAKSA-N 0 0 383.492 3.675 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000588451771 843306463 /nfs/dbraw/zinc/30/64/63/843306463.db2.gz OICFHOREXNULTQ-ALCCZGGFSA-N 0 0 390.409 3.602 10 0 GHAERN C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C[C@H](C)C1 ZINC000121316112 843328784 /nfs/dbraw/zinc/32/87/84/843328784.db2.gz KNYWRSRKUADZTR-JKSUJKDBSA-N 0 0 375.488 3.508 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000588454909 843349278 /nfs/dbraw/zinc/34/92/78/843349278.db2.gz VXBKIZZGZCPYEG-GIFJBRJJSA-N 0 0 387.277 3.766 10 0 GHAERN CCOc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000112420287 843349816 /nfs/dbraw/zinc/34/98/16/843349816.db2.gz UGKIVVCHUVJIPP-UHFFFAOYSA-N 0 0 387.505 3.835 10 0 GHAERN C[C@H]1CCc2c(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)csc2C1 ZINC000021496992 843484470 /nfs/dbraw/zinc/48/44/70/843484470.db2.gz PGYBDPIIXWIWTO-BLLLJJGKSA-N 0 0 375.515 3.521 10 0 GHAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121764517 843485045 /nfs/dbraw/zinc/48/50/45/843485045.db2.gz LQTPXHWEMBNCSW-XIKOKIGWSA-N 0 0 377.282 3.698 10 0 GHAERN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@H]1C(=O)OCc1cncs1 ZINC000588458028 843527518 /nfs/dbraw/zinc/52/75/18/843527518.db2.gz WLTGZMDJMSNSFO-SKHCZCESSA-N 0 0 390.892 3.934 10 0 GHAERN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1 ZINC000330297375 843564760 /nfs/dbraw/zinc/56/47/60/843564760.db2.gz GVNYGJZSSOITGZ-OXJNMPFZSA-N 0 0 384.501 3.810 10 0 GHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)N1CCC2(C1)Oc1ccccc1O2 ZINC000333050899 843918595 /nfs/dbraw/zinc/91/85/95/843918595.db2.gz BNHCRRKEULUDRS-WMLDXEAASA-N 0 0 386.473 3.551 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c2ccccc21 ZINC000332904506 844638671 /nfs/dbraw/zinc/63/86/71/844638671.db2.gz QNGAVFDNDWRTAV-LPHOPBHVSA-N 0 0 390.549 3.768 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000588479758 844877408 /nfs/dbraw/zinc/87/74/08/844877408.db2.gz KTXSBRFXXDHYNX-ZTBDEIDFSA-N 0 0 379.847 3.897 10 0 GHAERN C[C@@H]1CCCN(c2cc(N3CCC[C@@H](c4nc(C(F)(F)F)c[nH]4)C3)ncn2)C1 ZINC000333368278 845074072 /nfs/dbraw/zinc/07/40/72/845074072.db2.gz VSHREQUTTXYCOY-ZIAGYGMSSA-N 0 0 394.445 3.839 10 0 GHAERN C[C@H]1CCCN(c2cc(N3CCC[C@@H](c4nc(C(F)(F)F)c[nH]4)C3)ncn2)C1 ZINC000333368276 845074360 /nfs/dbraw/zinc/07/43/60/845074360.db2.gz VSHREQUTTXYCOY-UONOGXRCSA-N 0 0 394.445 3.839 10 0 GHAERN O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1nnc(-c2ccccc2)s1 ZINC000150983844 845093096 /nfs/dbraw/zinc/09/30/96/845093096.db2.gz LFGXGKNIKMYRAN-VAWYXSNFSA-N 0 0 387.468 3.720 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCO[C@H](c2nccs2)C1 ZINC000332975379 845141494 /nfs/dbraw/zinc/14/14/94/845141494.db2.gz KILLIBDYEJTZSK-XQQFMLRXSA-N 0 0 377.432 3.595 10 0 GHAERN Cc1ccc(CNC(=O)N2CCC(n3cncn3)CC2)c(Oc2ccccc2)c1 ZINC000151201861 845158852 /nfs/dbraw/zinc/15/88/52/845158852.db2.gz SXMGJOMYPXIBEW-UHFFFAOYSA-N 0 0 391.475 3.926 10 0 GHAERN O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151403973 845200790 /nfs/dbraw/zinc/20/07/90/845200790.db2.gz LPJIKQVEKJWCCF-UHFFFAOYSA-N 0 0 377.366 3.591 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000249037947 845493348 /nfs/dbraw/zinc/49/33/48/845493348.db2.gz YBLRICIXOQHVKB-OALUTQOASA-N 0 0 380.448 3.836 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000333523697 845708042 /nfs/dbraw/zinc/70/80/42/845708042.db2.gz WOQMFJIYWNJTTQ-FOIQADDNSA-N 0 0 386.492 3.510 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CSc1nc2ccccc2s1 ZINC000152089202 846214780 /nfs/dbraw/zinc/21/47/80/846214780.db2.gz QQRBDCQZBFZILG-CYBMUJFWSA-N 0 0 387.534 3.755 10 0 GHAERN O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333611664 846719356 /nfs/dbraw/zinc/71/93/56/846719356.db2.gz SBJZIAOUDCBOQA-CVDCTZTESA-N 0 0 375.472 3.997 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc2ccccc2c1 ZINC000152465598 847134324 /nfs/dbraw/zinc/13/43/24/847134324.db2.gz GZKIGTNYCJCLDZ-QGZVFWFLSA-N 0 0 387.483 3.964 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc2ccccc21 ZINC000152530252 847266181 /nfs/dbraw/zinc/26/61/81/847266181.db2.gz YSZKRTOQIMKKAO-KRWDZBQOSA-N 0 0 387.483 3.964 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000167032934 861826019 /nfs/dbraw/zinc/82/60/19/861826019.db2.gz CCQQEVSSQFMNGG-ZGQNHIEXSA-N 0 0 375.472 3.659 10 0 GHAERN COC(=O)/C=C\c1ccc(OCc2nc(-c3ccccc3F)no2)c(OC)c1 ZINC000588534338 847784665 /nfs/dbraw/zinc/78/46/65/847784665.db2.gz NUUBHJIZVKVMKN-NTMALXAHSA-N 0 0 384.363 3.650 10 0 GHAERN CC(C)c1nc([C@H]2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)C2)no1 ZINC000329632082 861852599 /nfs/dbraw/zinc/85/25/99/861852599.db2.gz IKJKAEBJXPZQJX-HNNXBMFYSA-N 0 0 390.491 3.918 10 0 GHAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000153669336 848880761 /nfs/dbraw/zinc/88/07/61/848880761.db2.gz UWYSYXPAIFBOIW-AUUYWEPGSA-N 0 0 385.464 3.722 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc([C@H](C)N4CCOCC4)cc3)CCO2)o1 ZINC000154052205 849175411 /nfs/dbraw/zinc/17/54/11/849175411.db2.gz IHDLLVXMTUFISS-LAUBAEHRSA-N 0 0 399.491 3.587 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000155154566 849464980 /nfs/dbraw/zinc/46/49/80/849464980.db2.gz FVOULDWGUUQECM-FYJFLYSWSA-N 0 0 384.427 3.798 10 0 GHAERN Cc1csc2nc(C[S@@](=O)[C@H](C)c3ncc(-c4ccccc4)o3)cc(=O)n12 ZINC000155663893 849584626 /nfs/dbraw/zinc/58/46/26/849584626.db2.gz UMGOOAFQLOZRKT-QWVSSGJLSA-N 0 0 399.497 3.729 10 0 GHAERN C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)C[C@H](c2ccsc2)O1 ZINC000156269534 849838049 /nfs/dbraw/zinc/83/80/49/849838049.db2.gz LGYXQIZVHQCLCM-LZZFNZIRSA-N 0 0 396.512 3.642 10 0 GHAERN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCC3CCCCC3)cn2)C[C@@H](C)O1 ZINC000101607687 851726688 /nfs/dbraw/zinc/72/66/88/851726688.db2.gz NZFZKCNTTNNHAH-QZTJIDSGSA-N 0 0 388.556 3.807 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000101776559 851899568 /nfs/dbraw/zinc/89/95/68/851899568.db2.gz ANVZFUFJAGVCJA-DYESRHJHSA-N 0 0 397.519 3.951 10 0 GHAERN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3n[nH]c(C4CC4)n3)cc1)CO2 ZINC000101843190 851951309 /nfs/dbraw/zinc/95/13/09/851951309.db2.gz QTIWSXYGBPGLMJ-MRXNPFEDSA-N 0 0 390.443 3.548 10 0 GHAERN COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3n[nH]c(C4CC4)n3)cc1)CO2 ZINC000101843185 851951498 /nfs/dbraw/zinc/95/14/98/851951498.db2.gz QTIWSXYGBPGLMJ-INIZCTEOSA-N 0 0 390.443 3.548 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC(C)(C)c3cccc(Cl)c3)C2)no1 ZINC000171360097 852594118 /nfs/dbraw/zinc/59/41/18/852594118.db2.gz NPIYIQGFTKCJIS-OAHLLOKOSA-N 0 0 390.915 3.973 10 0 GHAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1C[C@@H]2CCC[C@H]21 ZINC000329919648 862423265 /nfs/dbraw/zinc/42/32/65/862423265.db2.gz GLLUPRZJVUWOBV-WMLDXEAASA-N 0 0 389.297 3.905 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)CCO2)n1 ZINC000328736925 854521978 /nfs/dbraw/zinc/52/19/78/854521978.db2.gz LLCXFHKPPGZLKR-QYZOEREBSA-N 0 0 386.517 3.828 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)CCN2c3ccccc3O[C@H](C)C2=O)n1 ZINC000328822123 854551294 /nfs/dbraw/zinc/55/12/94/854551294.db2.gz FZZAFHSNPWUPJH-WBVHZDCISA-N 0 0 399.516 3.709 10 0 GHAERN C[C@@H]1C[C@H](C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)CC(C)(C)C1 ZINC000328887064 854598170 /nfs/dbraw/zinc/59/81/70/854598170.db2.gz PDOJCMIAFXNSMX-ZIFCJYIRSA-N 0 0 382.508 3.630 10 0 GHAERN Cc1nnc2ccc(N3CCc4c(cccc4NC(=O)Nc4ccccc4)C3)nn12 ZINC000068766321 854622360 /nfs/dbraw/zinc/62/23/60/854622360.db2.gz UVWKYDCALOFHIZ-UHFFFAOYSA-N 0 0 399.458 3.639 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000124826429 854647248 /nfs/dbraw/zinc/64/72/48/854647248.db2.gz FHLDPJYSZCFGNQ-GDBMZVCRSA-N 0 0 399.457 3.960 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000102378891 854968973 /nfs/dbraw/zinc/96/89/73/854968973.db2.gz OVQBFXKQUPQPJM-IBGZPJMESA-N 0 0 396.462 3.741 10 0 GHAERN C[C@@H](C(=O)N1CCc2ccccc21)[S@@](=O)Cc1csc(Br)c1 ZINC000105692047 855132366 /nfs/dbraw/zinc/13/23/66/855132366.db2.gz HHICRDKAILXNFA-KPWVOAKYSA-N 0 0 398.347 3.737 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000162523171 855190987 /nfs/dbraw/zinc/19/09/87/855190987.db2.gz UITGUBIJHPNNIO-CYBMUJFWSA-N 0 0 393.317 3.521 10 0 GHAERN Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162624382 855198576 /nfs/dbraw/zinc/19/85/76/855198576.db2.gz VPVVWGKVVBVHCA-MRVPVSSYSA-N 0 0 377.293 3.816 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000330285119 862722714 /nfs/dbraw/zinc/72/27/14/862722714.db2.gz YJVLLHNKWMBOJE-ZFWWWQNUSA-N 0 0 389.502 3.504 10 0 GHAERN O=C(CCc1nnc(-c2ccsc2)o1)/N=c1\ccccn1Cc1ccccc1 ZINC000030870281 856128046 /nfs/dbraw/zinc/12/80/46/856128046.db2.gz FJKQWJYPAGFLSB-RELWKKBWSA-N 0 0 390.468 3.708 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Br ZINC000268916909 856285164 /nfs/dbraw/zinc/28/51/64/856285164.db2.gz OFQCSBYBPHCZDC-SJKOYZFVSA-N 0 0 383.286 3.617 10 0 GHAERN CC(=O)c1cc2c(cc1NC(=O)CCc1ncc(-c3ccc(F)cc3)o1)OCO2 ZINC000039538751 856300457 /nfs/dbraw/zinc/30/04/57/856300457.db2.gz XFKZXYSFZYDPIA-UHFFFAOYSA-N 0 0 396.374 3.983 10 0 GHAERN Cn1cncc1[C@H]1C[C@@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189159 857200764 /nfs/dbraw/zinc/20/07/64/857200764.db2.gz RVUSQSPYUGSIIL-XJKSGUPXSA-N 0 0 389.525 3.577 10 0 GHAERN C[C@H]1Oc2c(cccc2C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)NC1=O ZINC000130134096 859452694 /nfs/dbraw/zinc/45/26/94/859452694.db2.gz YDFDUVDINSANPE-KDOFPFPSSA-N 0 0 392.455 3.972 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)CC2 ZINC000161517844 859671105 /nfs/dbraw/zinc/67/11/05/859671105.db2.gz VUFLAFMZKCLXFA-MOPGFXCFSA-N 0 0 381.524 3.523 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccc(Br)s3)C2)c1 ZINC000171901812 860430379 /nfs/dbraw/zinc/43/03/79/860430379.db2.gz MVOXWEAPNVVJEJ-GFCCVEGCSA-N 0 0 383.315 3.562 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)CC2 ZINC000172605966 860434983 /nfs/dbraw/zinc/43/49/83/860434983.db2.gz GLJVBZCDIGWUGB-SJORKVTESA-N 0 0 387.915 3.916 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)C2)n1 ZINC000173063286 860435761 /nfs/dbraw/zinc/43/57/61/860435761.db2.gz QHXVNTRIWYKKAC-AEFFLSMTSA-N 0 0 399.516 3.589 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@@H](Cn4nc(C)nc4C)C3)c(C)c2c1 ZINC000173790526 860443189 /nfs/dbraw/zinc/44/31/89/860443189.db2.gz CTCOXQLPTADPJH-MRXNPFEDSA-N 0 0 398.532 3.979 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000102645058 860501888 /nfs/dbraw/zinc/50/18/88/860501888.db2.gz LWGMFSDJAICBCH-IFXJQAMLSA-N 0 0 375.428 3.866 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccccc3N(C)C(=O)C3CC3)C2)n1 ZINC000173075111 860697469 /nfs/dbraw/zinc/69/74/69/860697469.db2.gz LJVGGKFWRSLUNS-INIZCTEOSA-N 0 0 383.517 3.844 10 0 GHAERN C[C@H](NC(=O)C(C)(C)c1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C ZINC000102492292 860704214 /nfs/dbraw/zinc/70/42/14/860704214.db2.gz BNHFVJIDLSFPQH-KBPBESRZSA-N 0 0 395.341 3.632 10 0 GHAERN CCOc1ccc([C@H](NC(=O)[C@@H]2CSCN2C(=O)CC)c2ccccc2)cc1 ZINC000102720593 860831848 /nfs/dbraw/zinc/83/18/48/860831848.db2.gz KYMNLWORFAKQJC-PZJWPPBQSA-N 0 0 398.528 3.602 10 0 GHAERN C[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683968 860838963 /nfs/dbraw/zinc/83/89/63/860838963.db2.gz MOCNVDSOKUWEJV-CXAGYDPISA-N 0 0 389.293 3.740 10 0 GHAERN CCOc1ccccc1[C@@H](CC(=O)Nc1nc(C(C)C)cs1)NC(C)=O ZINC000102908062 860855311 /nfs/dbraw/zinc/85/53/11/860855311.db2.gz ZCSJMUXLCWHLOI-OAHLLOKOSA-N 0 0 375.494 3.871 10 0 GHAERN Cc1nc(C(=O)N2CCOc3ccccc32)nn1-c1c(Cl)cccc1Cl ZINC000102908190 860856278 /nfs/dbraw/zinc/85/62/78/860856278.db2.gz FZWMEMPWJBDWIJ-UHFFFAOYSA-N 0 0 389.242 3.922 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3cc(C)nc4onc(C)c43)n2)c1 ZINC000102910926 860899007 /nfs/dbraw/zinc/89/90/07/860899007.db2.gz SBGFPBKTIUXPMJ-UHFFFAOYSA-N 0 0 381.417 3.619 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000329113233 861031585 /nfs/dbraw/zinc/03/15/85/861031585.db2.gz HJAUHZHQECQXPM-MBOZVWFJSA-N 0 0 396.491 3.987 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)C1 ZINC000329113726 861031818 /nfs/dbraw/zinc/03/18/18/861031818.db2.gz RZSAXZCCTCFCKV-BHYGNILZSA-N 0 0 377.554 3.790 10 0 GHAERN Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000103036382 863325406 /nfs/dbraw/zinc/32/54/06/863325406.db2.gz VBCIYVSQVWXJJT-CQSZACIVSA-N 0 0 379.323 3.757 10 0 GHAERN CC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103059301 863880232 /nfs/dbraw/zinc/88/02/32/863880232.db2.gz HLJNWUWCQVUPLA-AWEZNQCLSA-N 0 0 391.386 3.811 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(CN4CCCC4=O)cc3)c21 ZINC000103235878 863918704 /nfs/dbraw/zinc/91/87/04/863918704.db2.gz GRWSCOBRRRPZOE-UHFFFAOYSA-N 0 0 390.487 3.963 10 0 GHAERN Cc1cc(S(=O)(=O)NCCCc2nc(-c3ccncc3)cs2)c(C)s1 ZINC000103267423 863935938 /nfs/dbraw/zinc/93/59/38/863935938.db2.gz ZTDWVZMHOXQPIB-UHFFFAOYSA-N 0 0 393.559 3.795 10 0 GHAERN COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(C(C)C)cc2)cn1 ZINC000103353118 863969905 /nfs/dbraw/zinc/96/99/05/863969905.db2.gz YJKRMYGKOULQHA-UHFFFAOYSA-N 0 0 383.477 3.525 10 0 GHAERN CC[C@@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC000103380040 864002812 /nfs/dbraw/zinc/00/28/12/864002812.db2.gz GYMRRULIOUUBEW-NSHGMRRFSA-N 0 0 381.520 3.895 10 0 GHAERN CO[C@@H](C)c1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000103788022 864054056 /nfs/dbraw/zinc/05/40/56/864054056.db2.gz PILSULVSOMAZJM-KGLIPLIRSA-N 0 0 379.453 3.724 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccccc1OC(F)(F)F ZINC000103847978 864061521 /nfs/dbraw/zinc/06/15/21/864061521.db2.gz TZMVUHXLQZFHCU-UHFFFAOYSA-N 0 0 382.382 3.978 10 0 GHAERN CCOc1cccc2cc([C@H](C)NC(=O)NC[C@@H](O)Cc3ccccc3)oc21 ZINC000103851789 864062812 /nfs/dbraw/zinc/06/28/12/864062812.db2.gz KWQIWNDRNHPCOV-YJBOKZPZSA-N 0 0 382.460 3.795 10 0 GHAERN C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc2ccccc21 ZINC000103735293 864075674 /nfs/dbraw/zinc/07/56/74/864075674.db2.gz CDTJJNGSZPDLMS-CYBMUJFWSA-N 0 0 377.835 3.960 10 0 GHAERN O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103756386 864082806 /nfs/dbraw/zinc/08/28/06/864082806.db2.gz DPVLSSGVNQMQQS-UHFFFAOYSA-N 0 0 397.744 3.509 10 0 GHAERN CCCn1ccc2cc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)ccc21 ZINC000103782481 864091044 /nfs/dbraw/zinc/09/10/44/864091044.db2.gz IFJGIYBJJVJBKO-UHFFFAOYSA-N 0 0 380.839 3.933 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000103863565 864101467 /nfs/dbraw/zinc/10/14/67/864101467.db2.gz MBPQGONFXPTIQE-KRWDZBQOSA-N 0 0 385.483 3.545 10 0 GHAERN O=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178103949 864502385 /nfs/dbraw/zinc/50/23/85/864502385.db2.gz QBJAQOJFIWZQKY-DYESRHJHSA-N 0 0 385.533 3.689 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000301763852 865528431 /nfs/dbraw/zinc/52/84/31/865528431.db2.gz MYFCFEUFDNNHBJ-RXVVDRJESA-N 0 0 399.498 3.980 10 0 GHAERN c1ccc(COc2ccnc(N3CCC(c4noc(C5CC5)n4)CC3)n2)cc1 ZINC000302191789 865758317 /nfs/dbraw/zinc/75/83/17/865758317.db2.gz ZJVGBAQUKQXVQR-UHFFFAOYSA-N 0 0 377.448 3.700 10 0 GHAERN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173493242 865922142 /nfs/dbraw/zinc/92/21/42/865922142.db2.gz VZIQNLMPJPAZBQ-CZUORRHYSA-N 0 0 389.908 3.556 10 0 GHAERN CN1C(=O)CCc2cc(NC(=O)NCCCCOCc3ccccc3)ccc21 ZINC000105050349 882013359 /nfs/dbraw/zinc/01/33/59/882013359.db2.gz ZVFVIOABLRKMPN-UHFFFAOYSA-N 0 0 381.476 3.714 10 0 GHAERN Cn1nccc1/C=C/C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171011236 882067253 /nfs/dbraw/zinc/06/72/53/882067253.db2.gz CYHJGSUOLWTQLW-XVJNWHFHSA-N 0 0 397.866 3.543 10 0 GHAERN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000170891856 882068671 /nfs/dbraw/zinc/06/86/71/882068671.db2.gz KJBHDVKWALYHKU-LJQANCHMSA-N 0 0 393.512 3.822 10 0 GHAERN COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1C ZINC000171188535 882087565 /nfs/dbraw/zinc/08/75/65/882087565.db2.gz QLBATPDQUIPOGO-UHFFFAOYSA-N 0 0 386.517 3.576 10 0 GHAERN O=C(Nc1ccc2scnc2c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000171372626 882102851 /nfs/dbraw/zinc/10/28/51/882102851.db2.gz HOBVKVGCHVXICB-CYBMUJFWSA-N 0 0 378.461 3.751 10 0 GHAERN CCOc1ccc(C(C)=O)cc1CN1CCCN(C(=O)c2cccs2)CC1 ZINC000171829367 882164456 /nfs/dbraw/zinc/16/44/56/882164456.db2.gz FLGPUDWADKRLHD-UHFFFAOYSA-N 0 0 386.517 3.698 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000172126647 882171779 /nfs/dbraw/zinc/17/17/79/882171779.db2.gz ORFZLLKXRBHQEU-LJQANCHMSA-N 0 0 397.450 3.505 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000172152785 882173439 /nfs/dbraw/zinc/17/34/39/882173439.db2.gz NHPKRQOJNQPDQO-UHFFFAOYSA-N 0 0 388.508 3.833 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000172222258 882188728 /nfs/dbraw/zinc/18/87/28/882188728.db2.gz PINHMKGSNHZDPJ-UONOGXRCSA-N 0 0 375.494 3.811 10 0 GHAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051296 882184184 /nfs/dbraw/zinc/18/41/84/882184184.db2.gz MDPBQBFXEUQTFY-SFHVURJKSA-N 0 0 398.466 3.938 10 0 GHAERN O=C(Nc1cc(C2CCCC2)[nH]n1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172335893 882185844 /nfs/dbraw/zinc/18/58/44/882185844.db2.gz OOWBODUMURNZRK-UHFFFAOYSA-N 0 0 384.455 3.697 10 0 GHAERN O=C(NCc1cccc(CO)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172263978 882192579 /nfs/dbraw/zinc/19/25/79/882192579.db2.gz XPPIXPFTJHADAG-HXUWFJFHSA-N 0 0 390.487 3.658 10 0 GHAERN O=C(Nc1ccccc1SC(F)F)N1CCC(c2ccnn2CCO)CC1 ZINC000172449113 882278046 /nfs/dbraw/zinc/27/80/46/882278046.db2.gz CQJSVWQLDBDEFC-UHFFFAOYSA-N 0 0 396.463 3.602 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000172698907 882286712 /nfs/dbraw/zinc/28/67/12/882286712.db2.gz IXHLQASFMJBNOJ-OAHLLOKOSA-N 0 0 377.444 3.557 10 0 GHAERN Cc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1NC(=O)C(C)(C)C ZINC000172495922 882289866 /nfs/dbraw/zinc/28/98/66/882289866.db2.gz JZFHXGOYBZJEJH-RBUKOAKNSA-N 0 0 381.476 3.759 10 0 GHAERN CCNC(=O)c1ccc(C)c(NCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)c1 ZINC000172877942 882316294 /nfs/dbraw/zinc/31/62/94/882316294.db2.gz BBEULKZATAYDFO-OAQYLSRUSA-N 0 0 395.503 3.529 10 0 GHAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172897098 882322068 /nfs/dbraw/zinc/32/20/68/882322068.db2.gz QHNDBDNJKPXLFR-UHFFFAOYSA-N 0 0 395.356 3.730 10 0 GHAERN O=C(c1ccnc(OCC(F)(F)F)c1)N1CCC(Cc2ccccn2)CC1 ZINC000172911852 882323079 /nfs/dbraw/zinc/32/30/79/882323079.db2.gz HJZLNZDGMHAIKJ-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN O=C(Nc1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172967064 882325510 /nfs/dbraw/zinc/32/55/10/882325510.db2.gz MNBJJLLPILUZFT-UHFFFAOYSA-N 0 0 395.356 3.730 10 0 GHAERN CCCN(CCc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173032944 882332660 /nfs/dbraw/zinc/33/26/60/882332660.db2.gz PJBJNURCANTMCY-UHFFFAOYSA-N 0 0 397.494 3.554 10 0 GHAERN Cc1csc([C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)n1 ZINC000173394916 882359133 /nfs/dbraw/zinc/35/91/33/882359133.db2.gz IHVRYRZETZPEJP-INIZCTEOSA-N 0 0 389.546 3.633 10 0 GHAERN CCc1nc(C)c([C@H](C)N(C)C(=O)NCC[C@H]2c3ccccc3NC2=O)s1 ZINC000173463440 882363179 /nfs/dbraw/zinc/36/31/79/882363179.db2.gz HXPTWSUAJQIEJJ-ZFWWWQNUSA-N 0 0 386.521 3.842 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)s2)c1 ZINC000186067613 870223848 /nfs/dbraw/zinc/22/38/48/870223848.db2.gz GXSKYIDIETZMRM-UZLBHIALSA-N 0 0 386.521 3.981 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000043164678 870286018 /nfs/dbraw/zinc/28/60/18/870286018.db2.gz ODERGVSZBVWOAF-KRWDZBQOSA-N 0 0 376.460 3.976 10 0 GHAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046489709 870435544 /nfs/dbraw/zinc/43/55/44/870435544.db2.gz RCBMXJDFZXHWKG-DLBZAZTESA-N 0 0 394.500 3.779 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3ccccc3OCC3CC3)C2)c1 ZINC000102383907 882416471 /nfs/dbraw/zinc/41/64/71/882416471.db2.gz GDCMOLFMTPXBIY-GOSISDBHSA-N 0 0 380.488 3.740 10 0 GHAERN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c2ccccc12 ZINC000106368620 870618480 /nfs/dbraw/zinc/61/84/80/870618480.db2.gz QBOULRKIAYFSMA-GOSISDBHSA-N 0 0 399.516 3.725 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)C2)c1 ZINC000109686959 870647902 /nfs/dbraw/zinc/64/79/02/870647902.db2.gz JJOKOCCFDCHPSB-IBGZPJMESA-N 0 0 389.503 3.652 10 0 GHAERN Cc1c(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)cccc1N1CCOC1=O ZINC000174550834 882479069 /nfs/dbraw/zinc/47/90/69/882479069.db2.gz LGHGNAWBSIEZAK-INIZCTEOSA-N 0 0 394.475 3.697 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(OC(F)F)c3)CC2)nc1 ZINC000174977465 882510526 /nfs/dbraw/zinc/51/05/26/882510526.db2.gz NQVWHCKKZZUWRI-UHFFFAOYSA-N 0 0 376.407 3.782 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N(C)[C@@H](C)c3ccc(-n4cncn4)cc3)nc21 ZINC000175046590 882518617 /nfs/dbraw/zinc/51/86/17/882518617.db2.gz RKWRDWCSDJFUFF-INIZCTEOSA-N 0 0 388.475 3.604 10 0 GHAERN CCC(=O)Nc1ccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000175129177 882526468 /nfs/dbraw/zinc/52/64/68/882526468.db2.gz JUKCACSBFOHFFX-UHFFFAOYSA-N 0 0 381.480 3.529 10 0 GHAERN CCOC(=O)N[C@@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)CC(C)C ZINC000103307623 871671328 /nfs/dbraw/zinc/67/13/28/871671328.db2.gz AKJQBFZBQYJYFF-WOJBJXKFSA-N 0 0 398.507 3.631 10 0 GHAERN C[C@@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000175318147 882541841 /nfs/dbraw/zinc/54/18/41/882541841.db2.gz WPZYNLQIQGRYBK-QGZVFWFLSA-N 0 0 397.523 3.709 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2)o1 ZINC000175354805 882545828 /nfs/dbraw/zinc/54/58/28/882545828.db2.gz KLCJHENYPSEKHK-INIZCTEOSA-N 0 0 394.456 3.741 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H](c3nccn3C)c3cccc(F)c3)nc21 ZINC000175213909 882557468 /nfs/dbraw/zinc/55/74/68/882557468.db2.gz DUXDWAGCVJFWBR-NRFANRHFSA-N 0 0 391.450 3.582 10 0 GHAERN COc1c(C)cc(CN(C)Cn2nc(-c3ccncc3)n(C)c2=S)cc1C ZINC000101539242 872077092 /nfs/dbraw/zinc/07/70/92/872077092.db2.gz NCONFQJDPZGVAV-UHFFFAOYSA-N 0 0 383.521 3.728 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N1CCC(OCC2CCCC2)CC1 ZINC000175614046 882603937 /nfs/dbraw/zinc/60/39/37/882603937.db2.gz LCKKTCIRVCOOHM-KPKJPENVSA-N 0 0 396.531 3.790 10 0 GHAERN Cc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c2cnn(C)c2n1 ZINC000175628724 882606865 /nfs/dbraw/zinc/60/68/65/882606865.db2.gz CUCGPVOEDBDHMC-FZKQIMNGSA-N 0 0 384.867 3.532 10 0 GHAERN Cc1nc2cc(NC(=O)NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2o1 ZINC000102029240 872493427 /nfs/dbraw/zinc/49/34/27/872493427.db2.gz ZRSFZJVJQOXIRV-CQSZACIVSA-N 0 0 388.468 3.905 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)Cc1cccs1 ZINC000175755953 882622627 /nfs/dbraw/zinc/62/26/27/882622627.db2.gz JWGWQYWWWWMQGJ-HOTGVXAUSA-N 0 0 383.521 3.559 10 0 GHAERN COc1ccc(CC2CCN(C(=O)Nc3ccc([S@](C)=O)cc3)CC2)cc1 ZINC000175814465 882634414 /nfs/dbraw/zinc/63/44/14/882634414.db2.gz ITCJIHVELHMULE-MHZLTWQESA-N 0 0 386.517 3.919 10 0 GHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1C(=O)NC(C)C ZINC000175847963 882640998 /nfs/dbraw/zinc/64/09/98/882640998.db2.gz ZKHZLVDQKNAKLQ-OALUTQOASA-N 0 0 383.496 3.635 10 0 GHAERN Cc1ccc(CCCC(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000176050193 882661232 /nfs/dbraw/zinc/66/12/32/882661232.db2.gz OREBGHKJSCNSMZ-UHFFFAOYSA-N 0 0 376.547 3.815 10 0 GHAERN CN(C(=O)Cc1ccc(NC(=O)[C@H]2CCCn3ccnc32)cc1)c1ccccc1 ZINC000176071757 882663290 /nfs/dbraw/zinc/66/32/90/882663290.db2.gz YLXKUUXBGCJDPW-FQEVSTJZSA-N 0 0 388.471 3.605 10 0 GHAERN CCOCCCCNC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000176346186 882681256 /nfs/dbraw/zinc/68/12/56/882681256.db2.gz HRJVTGKTGXUPLK-UHFFFAOYSA-N 0 0 396.875 3.517 10 0 GHAERN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000249516986 873061749 /nfs/dbraw/zinc/06/17/49/873061749.db2.gz GJWKIFVVQBSEEV-AQNXPRMDSA-N 0 0 394.515 3.599 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCO2)NC1CCN(c2cccs2)CC1 ZINC000176507833 882700160 /nfs/dbraw/zinc/70/01/60/882700160.db2.gz DXUWZCCDIKEGNF-UHFFFAOYSA-N 0 0 379.869 3.921 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000176629850 882720635 /nfs/dbraw/zinc/72/06/35/882720635.db2.gz GNUGVJXMEAWSBR-SFHVURJKSA-N 0 0 389.496 3.639 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000116568531 873567793 /nfs/dbraw/zinc/56/77/93/873567793.db2.gz NHEJDSQVOZXEAW-VGSWGCGISA-N 0 0 396.510 3.805 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3csc(-c4cccs4)n3)CC2)n1 ZINC000116667001 873614511 /nfs/dbraw/zinc/61/45/11/873614511.db2.gz DXOSFEVJQJYURY-UHFFFAOYSA-N 0 0 398.557 3.903 10 0 GHAERN COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000117462608 874012444 /nfs/dbraw/zinc/01/24/44/874012444.db2.gz KHDOBJJJDKKBHS-IBGZPJMESA-N 0 0 382.464 3.603 10 0 GHAERN COc1ccccc1CC1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000102410418 882784240 /nfs/dbraw/zinc/78/42/40/882784240.db2.gz VNXBDPWWALVZOD-QGZVFWFLSA-N 0 0 377.492 3.687 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(C(=O)Nc2ccncc2)cc1 ZINC000117633959 874078746 /nfs/dbraw/zinc/07/87/46/874078746.db2.gz JCGBCNFYWDZLPI-VFNWGFHPSA-N 0 0 387.439 3.515 10 0 GHAERN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177511990 882810407 /nfs/dbraw/zinc/81/04/07/882810407.db2.gz QQWPFWFERHZHPI-LLVKDONJSA-N 0 0 397.472 3.803 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177510798 882810450 /nfs/dbraw/zinc/81/04/50/882810450.db2.gz OIGDUXODBLDMTB-SNVBAGLBSA-N 0 0 384.288 3.795 10 0 GHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000177634559 882838097 /nfs/dbraw/zinc/83/80/97/882838097.db2.gz ATQHWVBTBAOIDE-HNNXBMFYSA-N 0 0 388.455 3.838 10 0 GHAERN NC(=O)c1ccc(Cl)cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000105367529 875277522 /nfs/dbraw/zinc/27/75/22/875277522.db2.gz ILTTYIQPVYGBEM-UHFFFAOYSA-N 0 0 390.226 3.929 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3nc4ccccc4s3)C2)c1 ZINC000102437573 882971875 /nfs/dbraw/zinc/97/18/75/882971875.db2.gz VUEYDWRSHJOOFF-CQSZACIVSA-N 0 0 382.489 3.953 10 0 GHAERN COc1cc(C)c([C@@H](C)NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000179144180 882975234 /nfs/dbraw/zinc/97/52/34/882975234.db2.gz KKAFBYQBMKBTGY-QRWLVFNGSA-N 0 0 388.464 3.758 10 0 GHAERN CN(Cc1nccn1C(F)F)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000029183227 876229313 /nfs/dbraw/zinc/22/93/13/876229313.db2.gz CSTQZXPBTHFICO-UHFFFAOYSA-N 0 0 378.354 3.664 10 0 GHAERN C[C@@H](Cc1nc2ccccc2s1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000120765032 876258169 /nfs/dbraw/zinc/25/81/69/876258169.db2.gz RPLBAKJNNJWQFC-SJCJKPOMSA-N 0 0 397.525 3.847 10 0 GHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179597650 883012909 /nfs/dbraw/zinc/01/29/09/883012909.db2.gz ZVWOQCZUPZGERW-UHFFFAOYSA-N 0 0 381.520 3.742 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)s1)c1ccccc1 ZINC000180471934 883060744 /nfs/dbraw/zinc/06/07/44/883060744.db2.gz IYMROZZZRKEGIS-IAGOWNOFSA-N 0 0 396.520 3.973 10 0 GHAERN O=C(CN1CCCN(CC(F)F)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000180584245 883081046 /nfs/dbraw/zinc/08/10/46/883081046.db2.gz AARWYHYYKVLIDD-UHFFFAOYSA-N 0 0 399.791 3.570 10 0 GHAERN Cn1ccnc1[C@H](NCc1cccnc1-n1ccnc1)c1ccccc1Cl ZINC000180586129 883082594 /nfs/dbraw/zinc/08/25/94/883082594.db2.gz KBNKRXMRIZDLJN-GOSISDBHSA-N 0 0 378.867 3.533 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCCc3ccc4c(c3)CC(=O)N4)C2)cc1 ZINC000121880179 877920332 /nfs/dbraw/zinc/92/03/32/877920332.db2.gz XOAAHBNGTMCKLV-OXQOHEQNSA-N 0 0 392.499 3.917 10 0 GHAERN C=C1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122150664 878407382 /nfs/dbraw/zinc/40/73/82/878407382.db2.gz LGHCEGHESXBMHD-YJBOKZPZSA-N 0 0 376.456 3.526 10 0 GHAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000175212383 878711111 /nfs/dbraw/zinc/71/11/11/878711111.db2.gz PGFPYRXATGNHQO-OAHLLOKOSA-N 0 0 377.492 3.801 10 0 GHAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000122479759 878929402 /nfs/dbraw/zinc/92/94/02/878929402.db2.gz GEVSOSDQMVCPDL-UHFFFAOYSA-N 0 0 397.450 3.857 10 0 GHAERN CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000003465927 879017308 /nfs/dbraw/zinc/01/73/08/879017308.db2.gz WEAMZTXWMVTOII-UHFFFAOYSA-N 0 0 385.464 3.532 10 0 GHAERN CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](CC)N(C)C ZINC000003548870 879062732 /nfs/dbraw/zinc/06/27/32/879062732.db2.gz MZEYSJSJXGDJSK-INIZCTEOSA-N 0 0 393.532 3.961 10 0 GHAERN CS(=O)(=O)Cc1ccccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000123192621 880036261 /nfs/dbraw/zinc/03/62/61/880036261.db2.gz RGRNAGRXANDOOS-UHFFFAOYSA-N 0 0 388.464 3.692 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c2ccccc2)[nH]1 ZINC000181116268 883124784 /nfs/dbraw/zinc/12/47/84/883124784.db2.gz ZRCPPSJKSYVICR-OAHLLOKOSA-N 0 0 397.389 3.838 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(C)nc3Br)CC2)nc1 ZINC000181195621 883126751 /nfs/dbraw/zinc/12/67/51/883126751.db2.gz MCOUGVAQTQKHOS-UHFFFAOYSA-N 0 0 390.281 3.540 10 0 GHAERN O=C(CCCc1ccc(Br)s1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181358722 883145319 /nfs/dbraw/zinc/14/53/19/883145319.db2.gz MWTGWRDBZYGIQM-GFCCVEGCSA-N 0 0 383.315 3.705 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000181943034 883195343 /nfs/dbraw/zinc/19/53/43/883195343.db2.gz FKHDDPPOCHOOCS-QGZVFWFLSA-N 0 0 391.479 3.764 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c(Cl)n1 ZINC000182083397 883203785 /nfs/dbraw/zinc/20/37/85/883203785.db2.gz VHVVKOSALIJYRF-UHFFFAOYSA-N 0 0 385.851 3.507 10 0 GHAERN O=C(Nc1ccccc1CN1CCNC1=O)N1CC=C(c2cccs2)CC1 ZINC000182751316 883234771 /nfs/dbraw/zinc/23/47/71/883234771.db2.gz IMRBTKUAULSOIN-UHFFFAOYSA-N 0 0 382.489 3.595 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N[C@H](C)Cc3ccccc3F)C2)c1 ZINC000102449669 883256139 /nfs/dbraw/zinc/25/61/39/883256139.db2.gz FKIPHMZCADXXSY-IAGOWNOFSA-N 0 0 385.483 3.591 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021261 883299320 /nfs/dbraw/zinc/29/93/20/883299320.db2.gz LUMDMXBVLKEZEA-IRLDBZIGSA-N 0 0 397.494 3.940 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2cccs2)c2ccc(F)cc2C1 ZINC000184034612 883301799 /nfs/dbraw/zinc/30/17/99/883301799.db2.gz WPKVKCFUVHCZBS-PXAZEXFGSA-N 0 0 375.469 3.741 10 0 GHAERN COc1cc(CNc2cccc3c2OCC[C@@H]3O)c(Br)cc1O ZINC000184066352 883313838 /nfs/dbraw/zinc/31/38/38/883313838.db2.gz JERNZRKOBJFYGU-AWEZNQCLSA-N 0 0 380.238 3.591 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)n2)c2ccc(F)cc2C1 ZINC000184161532 883325869 /nfs/dbraw/zinc/32/58/69/883325869.db2.gz VHFKGEIJYYPUAZ-HNNXBMFYSA-N 0 0 396.249 3.751 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC(n3ccnc3)CC2)c1C ZINC000184052752 883330995 /nfs/dbraw/zinc/33/09/95/883330995.db2.gz FTHLJDVDFKYFFC-UHFFFAOYSA-N 0 0 376.844 3.501 10 0 GHAERN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000184626953 883368797 /nfs/dbraw/zinc/36/87/97/883368797.db2.gz FMXQWJZIQPCLSB-CQSZACIVSA-N 0 0 397.508 3.789 10 0 GHAERN CCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H](c4nccs4)C3)ccc21 ZINC000184695728 883375908 /nfs/dbraw/zinc/37/59/08/883375908.db2.gz HPQLSONZEKWPTA-HNNXBMFYSA-N 0 0 384.505 3.854 10 0 GHAERN CC[C@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184705839 883380072 /nfs/dbraw/zinc/38/00/72/883380072.db2.gz MFDYPHSLLVMGIJ-AZUAARDMSA-N 0 0 378.557 3.613 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000184830541 883384986 /nfs/dbraw/zinc/38/49/86/883384986.db2.gz DNYYWQAADAHANQ-KRWDZBQOSA-N 0 0 377.366 3.719 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)Nc1ccc(C)c(-c2ncco2)c1 ZINC000184800630 883395809 /nfs/dbraw/zinc/39/58/09/883395809.db2.gz NUYGFJLDNGNNIV-UHFFFAOYSA-N 0 0 380.400 3.879 10 0 GHAERN Cc1nc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c(-c2ccccc2)o1 ZINC000184974540 883409130 /nfs/dbraw/zinc/40/91/30/883409130.db2.gz NEYHZIFLAVJISB-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000184974024 883409361 /nfs/dbraw/zinc/40/93/61/883409361.db2.gz IXOUXMDROZQVKQ-UYAOXDASSA-N 0 0 388.895 3.589 10 0 GHAERN CCSCC[C@H](C)N(C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185248450 883429206 /nfs/dbraw/zinc/42/92/06/883429206.db2.gz ZAQXUBZHZGEAIG-IFXJQAMLSA-N 0 0 395.544 3.792 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2c3ccccc3C[C@H]2C)c2ccc(F)cc2C1 ZINC000185243423 883429682 /nfs/dbraw/zinc/42/96/82/883429682.db2.gz MBLPAHWTWCSXKB-VLIAUNLRSA-N 0 0 381.451 3.780 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCCO3)c2ccc(F)cc2C1 ZINC000185294486 883432925 /nfs/dbraw/zinc/43/29/25/883432925.db2.gz UKWFVLSFDZOMNC-HXUWFJFHSA-N 0 0 397.450 3.766 10 0 GHAERN COc1cccc([C@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185522316 883550152 /nfs/dbraw/zinc/55/01/52/883550152.db2.gz SEICONJFIBZLIX-IVZQSRNASA-N 0 0 398.478 3.938 10 0 GHAERN C[C@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccc(F)c2O1 ZINC000185643843 883570614 /nfs/dbraw/zinc/57/06/14/883570614.db2.gz TYAYDBFKJZIDQY-ZDUSSCGKSA-N 0 0 388.464 3.554 10 0 GHAERN COCCOc1ccccc1NC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567135 883577732 /nfs/dbraw/zinc/57/77/32/883577732.db2.gz GAZYWOBZYJYRRU-UHFFFAOYSA-N 0 0 399.422 3.870 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)c1C ZINC000185705824 883579574 /nfs/dbraw/zinc/57/95/74/883579574.db2.gz ZOXCNHKJDFGHSP-HNNXBMFYSA-N 0 0 392.839 3.942 10 0 GHAERN Cc1c(Br)scc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000185928256 883589776 /nfs/dbraw/zinc/58/97/76/883589776.db2.gz VNOVUGQTRHWKCI-UHFFFAOYSA-N 0 0 380.311 3.567 10 0 GHAERN COc1ccc([C@H](NCc2ccc3c(c2)COC(C)(C)O3)c2nccn2C)cc1 ZINC000186406195 883641450 /nfs/dbraw/zinc/64/14/50/883641450.db2.gz QFEZWEHLFSKJTH-NRFANRHFSA-N 0 0 393.487 3.953 10 0 GHAERN O=C(c1csc(Cc2ccccc2F)n1)N1CCCN(c2ccccn2)CC1 ZINC000186418876 883642588 /nfs/dbraw/zinc/64/25/88/883642588.db2.gz XPTQGRBSRVLALQ-UHFFFAOYSA-N 0 0 396.491 3.621 10 0 GHAERN CN1Cc2cc(NC(=O)NCCCCOc3ccc(F)cc3)ccc2NC1=O ZINC000186573032 883664734 /nfs/dbraw/zinc/66/47/34/883664734.db2.gz MABVZKKTVYFZFW-UHFFFAOYSA-N 0 0 386.427 3.784 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)ccc2NC1=O ZINC000186636002 883679273 /nfs/dbraw/zinc/67/92/73/883679273.db2.gz JVABCULXKRVDIM-HNNXBMFYSA-N 0 0 382.439 3.900 10 0 GHAERN C[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186660410 883685047 /nfs/dbraw/zinc/68/50/47/883685047.db2.gz BHXIDCXYYHBPIJ-AWEZNQCLSA-N 0 0 379.464 3.536 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186942082 883718746 /nfs/dbraw/zinc/71/87/46/883718746.db2.gz VTWLQZVIEQYVGD-ZMBJWTFHSA-N 0 0 385.876 3.720 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(OC4COC4)cc3)C2)cc1 ZINC000187207589 883765896 /nfs/dbraw/zinc/76/58/96/883765896.db2.gz ZDPHTJMDZAWAPJ-WBVHZDCISA-N 0 0 382.460 3.883 10 0 GHAERN CN(CC1(O)CCOCC1)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000187623911 883805190 /nfs/dbraw/zinc/80/51/90/883805190.db2.gz SURILIPSLKFAST-QGZVFWFLSA-N 0 0 394.924 3.674 10 0 GHAERN CC(C)(C)Oc1ccc(CNC(=O)N2CCC(Nc3nccs3)CC2)cn1 ZINC000187780844 883806808 /nfs/dbraw/zinc/80/68/08/883806808.db2.gz YSFNZGVIWDRNKM-UHFFFAOYSA-N 0 0 389.525 3.502 10 0 GHAERN Cc1nc([C@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2ccccc2F)no1 ZINC000188019608 883820375 /nfs/dbraw/zinc/82/03/75/883820375.db2.gz IFIBDULVQYFGKR-HXUWFJFHSA-N 0 0 383.423 3.753 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000188689913 883870272 /nfs/dbraw/zinc/87/02/72/883870272.db2.gz GEBLLSYDATVQAE-AWEZNQCLSA-N 0 0 378.350 3.592 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000188794891 883873735 /nfs/dbraw/zinc/87/37/35/883873735.db2.gz QGGFIMNAYOMXFG-FPOVZHCZSA-N 0 0 378.472 3.690 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000189011590 883897716 /nfs/dbraw/zinc/89/77/16/883897716.db2.gz ZCAMLZUUVDYQTN-CQSZACIVSA-N 0 0 384.863 3.766 10 0 GHAERN Cc1ccc(C(=O)N2CCC(NC(=O)Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000189094280 883903167 /nfs/dbraw/zinc/90/31/67/883903167.db2.gz LRTJABMZILXGAZ-UHFFFAOYSA-N 0 0 394.515 3.746 10 0 GHAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189831044 884014993 /nfs/dbraw/zinc/01/49/93/884014993.db2.gz LJDIXIFVDPLOLR-UHFFFAOYSA-N 0 0 375.424 3.810 10 0 GHAERN COc1cccc(CO[C@@H](C)C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189836805 884016391 /nfs/dbraw/zinc/01/63/91/884016391.db2.gz YKRNVTHNIYFEKX-KRWDZBQOSA-N 0 0 381.472 3.695 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@H]1C ZINC000189868897 884018294 /nfs/dbraw/zinc/01/82/94/884018294.db2.gz OMHUEQUIHYYDFJ-DGCLKSJQSA-N 0 0 384.423 3.805 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000190059465 884046377 /nfs/dbraw/zinc/04/63/77/884046377.db2.gz HEKHLCOQEFOYFN-AEFFLSMTSA-N 0 0 383.473 3.612 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000190124702 884047748 /nfs/dbraw/zinc/04/77/48/884047748.db2.gz TYJLDSVGMMZKLT-KUHUBIRLSA-N 0 0 379.460 3.764 10 0 GHAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(Nc4nccs4)CC3)cc2)n1 ZINC000190366207 884071430 /nfs/dbraw/zinc/07/14/30/884071430.db2.gz GWQPIAGYRZINKE-UHFFFAOYSA-N 0 0 381.505 3.662 10 0 GHAERN CSc1nccn1-c1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190383496 884073392 /nfs/dbraw/zinc/07/33/92/884073392.db2.gz XBADGSOHSZIQNO-UHFFFAOYSA-N 0 0 399.545 3.767 10 0 GHAERN O=C(/C=C/c1ccccc1OC(F)F)N1CCC(Nc2nccs2)CC1 ZINC000190385123 884073763 /nfs/dbraw/zinc/07/37/63/884073763.db2.gz PYCPRDRMJBOPAU-AATRIKPKSA-N 0 0 379.432 3.861 10 0 GHAERN CSc1nc(C)c(CCc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)c(C)n1 ZINC000190386415 884074655 /nfs/dbraw/zinc/07/46/55/884074655.db2.gz JQVMUCFMORJQNE-HOCLYGCPSA-N 0 0 376.526 3.902 10 0 GHAERN C[C@@H](Oc1ccc(C(=O)NCc2cccnc2-n2cncn2)cc1)c1ccccc1 ZINC000191741108 884208437 /nfs/dbraw/zinc/20/84/37/884208437.db2.gz OYSOXGFQZZOCHF-QGZVFWFLSA-N 0 0 399.454 3.732 10 0 GHAERN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@]2(C)CC2(Cl)Cl)n1 ZINC000192357605 884253078 /nfs/dbraw/zinc/25/30/78/884253078.db2.gz ZDNCYCQZEGMQBY-HZMBPMFUSA-N 0 0 377.293 3.567 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCc3c2cc(F)cc3F)CC1 ZINC000192599479 884284407 /nfs/dbraw/zinc/28/44/07/884284407.db2.gz NBMXSWUGYAAOPF-UHFFFAOYSA-N 0 0 388.389 3.545 10 0 GHAERN CC(C)Oc1ccccc1NC(=O)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192929466 884315062 /nfs/dbraw/zinc/31/50/62/884315062.db2.gz YAMQBGIQEWUWJZ-UHFFFAOYSA-N 0 0 394.471 3.507 10 0 GHAERN O=C(c1ccc(Br)cn1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102914996 884632321 /nfs/dbraw/zinc/63/23/21/884632321.db2.gz QSVWMLPTKYIWRN-CQSZACIVSA-N 0 0 375.222 3.550 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000105547508 884807773 /nfs/dbraw/zinc/80/77/73/884807773.db2.gz OISFBZOJZWKVCW-QGZVFWFLSA-N 0 0 395.509 3.964 10 0 GHAERN Clc1ccc(OCc2nc(SCc3nc(-c4ccoc4)no3)n[nH]2)cc1 ZINC000105572313 884813733 /nfs/dbraw/zinc/81/37/33/884813733.db2.gz DYJNRHZRJXHFDO-UHFFFAOYSA-N 0 0 389.824 3.972 10 0 GHAERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000105957933 884878363 /nfs/dbraw/zinc/87/83/63/884878363.db2.gz GDFAYJZXJZDJCM-HNNXBMFYSA-N 0 0 398.484 3.784 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)c1ccccc1 ZINC000105987971 884940399 /nfs/dbraw/zinc/94/03/99/884940399.db2.gz WDDNAPCJJLDPLR-YSGRDPCXSA-N 0 0 394.471 3.705 10 0 GHAERN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104275070 885355499 /nfs/dbraw/zinc/35/54/99/885355499.db2.gz GIGJYDGUQNODOM-UHFFFAOYSA-N 0 0 377.419 3.991 10 0 GHAERN COc1ccc(CNC(=O)c2ccc(-n3cccc3)c(F)c2)c(OC)c1OC ZINC000104241362 885362711 /nfs/dbraw/zinc/36/27/11/885362711.db2.gz JAHCLHZZUFTKDK-UHFFFAOYSA-N 0 0 384.407 3.572 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000008264498 885784895 /nfs/dbraw/zinc/78/48/95/885784895.db2.gz KTLJPLDPTCTPOL-INIZCTEOSA-N 0 0 383.498 3.758 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000102857036 885978346 /nfs/dbraw/zinc/97/83/46/885978346.db2.gz FWZYNEFSPMOKQU-OAHLLOKOSA-N 0 0 388.851 3.820 10 0 GHAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000106018527 886023120 /nfs/dbraw/zinc/02/31/20/886023120.db2.gz GJBSJIFTSKJXQD-HXUWFJFHSA-N 0 0 378.520 3.790 10 0 GHAERN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H](NC(N)=O)C(C)C ZINC000106923216 886040869 /nfs/dbraw/zinc/04/08/69/886040869.db2.gz PZEAHQOHROYTFO-IINYFYTJSA-N 0 0 394.928 3.642 10 0 GHAERN COc1cccc(/C=C/C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000110394517 886196684 /nfs/dbraw/zinc/19/66/84/886196684.db2.gz PVKPZEZPRXQCHJ-UCFODXPJSA-N 0 0 378.432 3.667 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000112307069 886257905 /nfs/dbraw/zinc/25/79/05/886257905.db2.gz JMXYEHGNYYDHST-UHFFFAOYSA-N 0 0 382.407 3.755 10 0 GHAERN CCc1ccc2c(CN3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1 ZINC000112352109 886259885 /nfs/dbraw/zinc/25/98/85/886259885.db2.gz HFYMOFKCIYOVMB-UHFFFAOYSA-N 0 0 396.512 3.765 10 0 GHAERN O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000031214478 886288001 /nfs/dbraw/zinc/28/80/01/886288001.db2.gz TZZUPXMZLFYMGQ-UHFFFAOYSA-N 0 0 392.434 3.502 10 0 GHAERN Cc1[nH]cc(C(=O)N2CCC(OCC3CCCC3)CC2)c(=O)c1Br ZINC000119754710 886475015 /nfs/dbraw/zinc/47/50/15/886475015.db2.gz ZCOWNJMMKYDXQE-UHFFFAOYSA-N 0 0 397.313 3.670 10 0 GHAERN CC(=O)N[C@@H](CC(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1)c1ccccc1 ZINC000103845083 913053165 /nfs/dbraw/zinc/05/31/65/913053165.db2.gz IQJJNORZDYTYBX-IBGZPJMESA-N 0 0 391.427 3.787 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C[C@H](C)O1 ZINC000332920856 886560382 /nfs/dbraw/zinc/56/03/82/886560382.db2.gz BIHVUYIPYLYFDO-SFNKJDCFSA-N 0 0 397.523 3.564 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3cccc(NC(C)=O)c3)C2)cc1 ZINC000123639397 886657286 /nfs/dbraw/zinc/65/72/86/886657286.db2.gz NDDJOINTYNNWGS-BEFAXECRSA-N 0 0 381.476 3.741 10 0 GHAERN COc1cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)ccc1OC(C)C ZINC000124226673 886721154 /nfs/dbraw/zinc/72/11/54/886721154.db2.gz KGLDXYOUPKHPRB-UHFFFAOYSA-N 0 0 383.492 3.585 10 0 GHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000124458986 886751980 /nfs/dbraw/zinc/75/19/80/886751980.db2.gz LZKXYOOAPFXBPJ-GOSISDBHSA-N 0 0 386.536 3.515 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCCOc2ccccc2)c2ccccc2F)no1 ZINC000124569372 886766362 /nfs/dbraw/zinc/76/63/62/886766362.db2.gz XBZNCZWCOLGGNV-IBGZPJMESA-N 0 0 398.438 3.717 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CC[C@H](c3ccccc3)C2)c2ccccc2F)no1 ZINC000124643132 886776461 /nfs/dbraw/zinc/77/64/61/886776461.db2.gz QLUVIIBFQMDERR-QFBILLFUSA-N 0 0 380.423 3.806 10 0 GHAERN CCOCCC1(CNC(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CCC1 ZINC000124684306 886783946 /nfs/dbraw/zinc/78/39/46/886783946.db2.gz HQBAHECIHULWGX-QGZVFWFLSA-N 0 0 390.459 3.503 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126278947 886951269 /nfs/dbraw/zinc/95/12/69/886951269.db2.gz VYXUPSREOSIFMG-NHCUHLMSSA-N 0 0 381.520 3.509 10 0 GHAERN Cc1c(C(=O)N2CCC(c3ccnn3CCO)CC2)oc2c1c(C)ccc2C ZINC000126297387 886952247 /nfs/dbraw/zinc/95/22/47/886952247.db2.gz YCGAWAPGCKOIKI-UHFFFAOYSA-N 0 0 381.476 3.567 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000126500473 886977056 /nfs/dbraw/zinc/97/70/56/886977056.db2.gz RKZZHIOBNFKDQV-SJORKVTESA-N 0 0 390.553 3.724 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000045278918 887041299 /nfs/dbraw/zinc/04/12/99/887041299.db2.gz RIQAQKIGGZBHNY-MOPGFXCFSA-N 0 0 399.516 3.627 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCC(=O)CCC(=O)c3cccs3)CCO2)o1 ZINC000127258759 887044562 /nfs/dbraw/zinc/04/45/62/887044562.db2.gz USRXGNJRGIZANK-GOSISDBHSA-N 0 0 389.473 3.562 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)C3(c4ccccc4Cl)CCOCC3)CCO2)o1 ZINC000127289621 887046006 /nfs/dbraw/zinc/04/60/06/887046006.db2.gz AFHSEVJYNKWCSB-IBGZPJMESA-N 0 0 389.879 3.890 10 0 GHAERN Cc1c([C@@H](C)N[C@H](c2nccn2C)c2cccc(F)c2)cnn1-c1ccccn1 ZINC000128360321 887176020 /nfs/dbraw/zinc/17/60/20/887176020.db2.gz ZOLWUJCILBJYGE-VFNWGFHPSA-N 0 0 390.466 3.889 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)N[C@H]1CCSc2ccc(F)cc21 ZINC000046434901 887195438 /nfs/dbraw/zinc/19/54/38/887195438.db2.gz WTPVENJRBWATEV-HNNXBMFYSA-N 0 0 384.436 3.557 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1 ZINC000105021010 887312236 /nfs/dbraw/zinc/31/22/36/887312236.db2.gz XIJKOSAGJDHNLY-INIZCTEOSA-N 0 0 384.480 3.542 10 0 GHAERN CC(C)n1cnc(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000154248303 887367728 /nfs/dbraw/zinc/36/77/28/887367728.db2.gz BANDFNPKBQPANX-INIZCTEOSA-N 0 0 375.494 3.579 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000130268437 887407697 /nfs/dbraw/zinc/40/76/97/887407697.db2.gz HDAWTZMJFLXLDO-FGZHOGPDSA-N 0 0 388.511 3.926 10 0 GHAERN O=C(NCC1([C@H](O)c2ccccc2)CC1)NC1CCN(c2cccs2)CC1 ZINC000130551674 887446676 /nfs/dbraw/zinc/44/66/76/887446676.db2.gz CZRHLWBDBFBMML-LJQANCHMSA-N 0 0 385.533 3.530 10 0 GHAERN CC[C@@H](C)c1ccc([C@@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105093002 887558283 /nfs/dbraw/zinc/55/82/83/887558283.db2.gz NFNCPRNIJXWRNQ-FOIQADDNSA-N 0 0 385.533 3.883 10 0 GHAERN COCCOc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)c(C)c1 ZINC000131917086 887590698 /nfs/dbraw/zinc/59/06/98/887590698.db2.gz CHUPWBKVVWIZEU-UHFFFAOYSA-N 0 0 389.521 3.872 10 0 GHAERN COc1ccccc1[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C)c1noc(C)n1 ZINC000132290555 887640555 /nfs/dbraw/zinc/64/05/55/887640555.db2.gz SOQHLVARTHMOQN-HBFSDRIKSA-N 0 0 377.444 3.704 10 0 GHAERN COc1cc(F)c(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000133025304 887725338 /nfs/dbraw/zinc/72/53/38/887725338.db2.gz DTACRVNHIGHWTO-JTQLQIEISA-N 0 0 389.358 3.523 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CCO2)o1 ZINC000133392554 887757429 /nfs/dbraw/zinc/75/74/29/887757429.db2.gz GZYAPAHXDJZTLE-IBGZPJMESA-N 0 0 389.879 3.890 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(NC(=O)N(C)C)cc3Cl)CCO2)o1 ZINC000133457234 887766917 /nfs/dbraw/zinc/76/69/17/887766917.db2.gz ALMCZAZQVICXFN-QGZVFWFLSA-N 0 0 391.855 3.549 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000134374126 887865862 /nfs/dbraw/zinc/86/58/62/887865862.db2.gz UFTOANJWMHZORO-UTKZUKDTSA-N 0 0 390.487 3.750 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)cc1 ZINC000053271740 887944658 /nfs/dbraw/zinc/94/46/58/887944658.db2.gz QYIJYGDGCUQTBG-MRXNPFEDSA-N 0 0 398.488 3.540 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000054551982 888015167 /nfs/dbraw/zinc/01/51/67/888015167.db2.gz SXGNRYBTSZWSJE-LJQANCHMSA-N 0 0 394.519 3.894 10 0 GHAERN O=C(c1cccc(-n2cccn2)n1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000135496292 888244853 /nfs/dbraw/zinc/24/48/53/888244853.db2.gz QTXPUYYQZBURDA-SFHVURJKSA-N 0 0 398.470 3.677 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C(F)F)CC2)nc1 ZINC000135622143 888252765 /nfs/dbraw/zinc/25/27/65/888252765.db2.gz DNWGTLHEKRAKBD-UHFFFAOYSA-N 0 0 391.466 3.579 10 0 GHAERN O=C(NCCc1c[nH]c2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000054026152 888261334 /nfs/dbraw/zinc/26/13/34/888261334.db2.gz BKJZGWMHRCEFQT-UHFFFAOYSA-N 0 0 396.535 3.535 10 0 GHAERN CCc1ccc([C@@H](C)NC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000054378451 888272097 /nfs/dbraw/zinc/27/20/97/888272097.db2.gz ZHABWRYBBOGQQY-OAHLLOKOSA-N 0 0 384.480 3.667 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000136448342 888295703 /nfs/dbraw/zinc/29/57/03/888295703.db2.gz MBXBCCCFZQZHSH-IHHMQQGQSA-N 0 0 391.874 3.506 10 0 GHAERN CCC(=O)Nc1ccc(NC(=O)N2CCCN(c3nc(C)cs3)CC2)cc1 ZINC000056657539 888372721 /nfs/dbraw/zinc/37/27/21/888372721.db2.gz CASAMMIRJNMIES-UHFFFAOYSA-N 0 0 387.509 3.544 10 0 GHAERN COc1ccc([C@H](NC(=O)Nc2ccc(C)cc2OC)c2nccn2C)cc1 ZINC000056826812 888380457 /nfs/dbraw/zinc/38/04/57/888380457.db2.gz XYBANHUYQOJISR-IBGZPJMESA-N 0 0 380.448 3.657 10 0 GHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000062130858 888499974 /nfs/dbraw/zinc/49/99/74/888499974.db2.gz SQVWANGNUKYIRO-UHFFFAOYSA-N 0 0 376.298 3.815 10 0 GHAERN O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000062573421 888507727 /nfs/dbraw/zinc/50/77/27/888507727.db2.gz YOPUWDCHMABUBG-OAHLLOKOSA-N 0 0 391.298 3.814 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000193866754 888532459 /nfs/dbraw/zinc/53/24/59/888532459.db2.gz ZENJGEGMDWOIFG-UHFFFAOYSA-N 0 0 379.504 3.761 10 0 GHAERN CN1CCCc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000064846924 888541618 /nfs/dbraw/zinc/54/16/18/888541618.db2.gz QTQLKGHKGFDPLH-UHFFFAOYSA-N 0 0 395.478 3.699 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)C2CCN(c3ccc(C)cn3)CC2)c1 ZINC000194102189 888558731 /nfs/dbraw/zinc/55/87/31/888558731.db2.gz HWQNBSBLNZOHOK-UHFFFAOYSA-N 0 0 394.519 3.727 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1)C1CCCCC1 ZINC000194757699 888618112 /nfs/dbraw/zinc/61/81/12/888618112.db2.gz ZBQSJVHYNVMRIW-VXKWHMMOSA-N 0 0 398.547 3.842 10 0 GHAERN COCc1ccc(NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cc1 ZINC000195225817 888654594 /nfs/dbraw/zinc/65/45/94/888654594.db2.gz LSZXLCWKRVLZRC-CYBMUJFWSA-N 0 0 379.382 3.694 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000245386124 888744106 /nfs/dbraw/zinc/74/41/06/888744106.db2.gz KGEJWTXSPQFNTE-IMFGXOCKSA-N 0 0 382.485 3.526 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000245672381 889199707 /nfs/dbraw/zinc/19/97/07/889199707.db2.gz DYLLFERQPAGQLU-RYQLBKOJSA-N 0 0 390.915 3.680 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699711 889277537 /nfs/dbraw/zinc/27/75/37/889277537.db2.gz MZXMGDDTZJRZJN-FXAWDEMLSA-N 0 0 395.532 3.526 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000245765376 889670899 /nfs/dbraw/zinc/67/08/99/889670899.db2.gz FUNHGIBRGYXHFF-VAMGGRTRSA-N 0 0 388.508 3.707 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cc2)co1 ZINC000245882092 889926766 /nfs/dbraw/zinc/92/67/66/889926766.db2.gz BEUGDBCMOKYSSS-IEBWSBKVSA-N 0 0 388.489 3.562 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246100760 890370348 /nfs/dbraw/zinc/37/03/48/890370348.db2.gz MXZNDQBCMOGTNH-ZOCIIQOWSA-N 0 0 385.464 3.597 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCn4nc(C(C)C)nc43)C2)cc1 ZINC000246178969 890578672 /nfs/dbraw/zinc/57/86/72/890578672.db2.gz GQSLJDJIUNTXCJ-HKUYNNGSSA-N 0 0 396.539 3.513 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000066606962 891124059 /nfs/dbraw/zinc/12/40/59/891124059.db2.gz BGYXVKZMFQKNSX-GNISGLHKSA-N 0 0 385.485 3.522 10 0 GHAERN C[S@](=O)Cc1cccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246599153 891290051 /nfs/dbraw/zinc/29/00/51/891290051.db2.gz HBGZBUTZUAHENU-CUMRGQLISA-N 0 0 389.517 3.667 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)[C@@H]2CCO[C@H]21 ZINC000246677891 891297960 /nfs/dbraw/zinc/29/79/60/891297960.db2.gz AXZWJUNEAKJLNN-IAOVAPTHSA-N 0 0 388.855 3.857 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246781275 891305443 /nfs/dbraw/zinc/30/54/43/891305443.db2.gz QVJUJFOLNYCPLS-WOIUINJBSA-N 0 0 386.451 3.872 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)CCO2)o1 ZINC000246809502 891308863 /nfs/dbraw/zinc/30/88/63/891308863.db2.gz PUWSLCWHSQUEOC-LMNJBCLMSA-N 0 0 384.476 3.839 10 0 GHAERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000247164235 891349897 /nfs/dbraw/zinc/34/98/97/891349897.db2.gz SHPDNSLPTLTFIZ-CNDZOEFASA-N 0 0 398.478 3.508 10 0 GHAERN CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1Cl ZINC000247387997 891373303 /nfs/dbraw/zinc/37/33/03/891373303.db2.gz LLIXTLBZCWZZPI-JQHSSLGASA-N 0 0 393.915 3.805 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247480938 891378435 /nfs/dbraw/zinc/37/84/35/891378435.db2.gz QYISBJXGSBRTAP-QXAKKESOSA-N 0 0 385.439 3.879 10 0 GHAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000247471343 891379291 /nfs/dbraw/zinc/37/92/91/891379291.db2.gz RSEUNAFBCKXHKG-YSIASYRMSA-N 0 0 397.519 3.757 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000247792748 891396178 /nfs/dbraw/zinc/39/61/78/891396178.db2.gz AYRNYSRVTTUKSV-DEOSSOPVSA-N 0 0 399.494 3.856 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248617460 891444796 /nfs/dbraw/zinc/44/47/96/891444796.db2.gz JLGVQYIIAZYFPU-IIMJZQEZSA-N 0 0 375.488 3.745 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248929739 891482095 /nfs/dbraw/zinc/48/20/95/891482095.db2.gz ZSIGCYOJOQHZLA-ZWKOPEQDSA-N 0 0 375.213 3.806 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000248962892 891484489 /nfs/dbraw/zinc/48/44/89/891484489.db2.gz NCVFNIZLDDWDOW-IUIKQTSFSA-N 0 0 397.397 3.879 10 0 GHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163070611 893810618 /nfs/dbraw/zinc/81/06/18/893810618.db2.gz RSSXWVUTYWMHKS-WMLDXEAASA-N 0 0 385.899 3.912 10 0 GHAERN CC[C@H]1c2ccsc2CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249124074 895127435 /nfs/dbraw/zinc/12/74/35/895127435.db2.gz ZDZOXRHROJWOQY-RFUYNDQBSA-N 0 0 381.563 3.783 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000102578507 898015824 /nfs/dbraw/zinc/01/58/24/898015824.db2.gz SXNFWQDRTOAHMB-QGZVFWFLSA-N 0 0 399.457 3.912 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000103179349 898069426 /nfs/dbraw/zinc/06/94/26/898069426.db2.gz KANJOHGXWOMZRT-UHFFFAOYSA-N 0 0 398.551 3.745 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(OCCOC)c(F)c1 ZINC000105017958 898178750 /nfs/dbraw/zinc/17/87/50/898178750.db2.gz VVKFCUHTFSRXSM-UHFFFAOYSA-N 0 0 375.444 3.733 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccco2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000105100755 898188579 /nfs/dbraw/zinc/18/85/79/898188579.db2.gz BFZCVZCCTPBZEO-UHFFFAOYSA-N 0 0 385.464 3.632 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N[C@@H]3CCCCC[C@H]3O)c2o1 ZINC000333503780 902140362 /nfs/dbraw/zinc/14/03/62/902140362.db2.gz KTFMDASRNQUUED-BXUZGUMPSA-N 0 0 382.258 3.714 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000334016037 902503207 /nfs/dbraw/zinc/50/32/07/902503207.db2.gz YXGUVPYBNCMNAC-LJCCNALRSA-N 0 0 377.488 3.616 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1)c1cccs1 ZINC000183066076 907320741 /nfs/dbraw/zinc/32/07/41/907320741.db2.gz BBYSDIYMVMEYFL-OAHLLOKOSA-N 0 0 396.476 3.878 10 0 GHAERN O=C(Nc1ccc(Cl)c(Br)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000186512149 907935535 /nfs/dbraw/zinc/93/55/35/907935535.db2.gz JSOMJRVBTKBYAL-LBPRGKRZSA-N 0 0 384.665 3.980 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCCC[C@H]1c1nc[nH]n1 ZINC000186991042 908015870 /nfs/dbraw/zinc/01/58/70/908015870.db2.gz HJIYYLCJHPFEMC-ZDUSSCGKSA-N 0 0 388.378 3.713 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cs1 ZINC000187042869 908025896 /nfs/dbraw/zinc/02/58/96/908025896.db2.gz LENPSRSIFFINNY-HKUYNNGSSA-N 0 0 398.532 3.662 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000188862269 908258317 /nfs/dbraw/zinc/25/83/17/908258317.db2.gz ULMGASZWGNYOMM-SFHVURJKSA-N 0 0 390.484 3.796 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccn(CCc3ccncc3)n2)cs1 ZINC000189008838 908271307 /nfs/dbraw/zinc/27/13/07/908271307.db2.gz KTIHQPNXIMANIU-KRWDZBQOSA-N 0 0 382.493 3.655 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3C[C@@H](OC)C[C@@H]3c3nc(C)no3)cc21 ZINC000189433610 908322627 /nfs/dbraw/zinc/32/26/27/908322627.db2.gz QFEIPXKCNRXDIQ-FUHWJXTLSA-N 0 0 383.452 3.737 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000190083757 908421757 /nfs/dbraw/zinc/42/17/57/908421757.db2.gz UUJPLPMLTWBCEB-YXJHDRRASA-N 0 0 387.480 3.566 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Br)c2)C1 ZINC000190143068 908438583 /nfs/dbraw/zinc/43/85/83/908438583.db2.gz NJAQPJKPSIXWMK-FZMZJTMJSA-N 0 0 386.677 3.756 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000192289801 908755631 /nfs/dbraw/zinc/75/56/31/908755631.db2.gz QSAFHQJVSSMMLS-NSHDSACASA-N 0 0 386.200 3.605 10 0 GHAERN Cc1nn2cc(CCCOC(=O)Cc3ccc(OC(F)F)cc3)cnc2c1C ZINC000103818294 911271113 /nfs/dbraw/zinc/27/11/13/911271113.db2.gz DTFYUTNONLNDMV-UHFFFAOYSA-N 0 0 389.402 3.666 10 0 GHAERN CC[C@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014881403 919344307 /nfs/dbraw/zinc/34/43/07/919344307.db2.gz AVTABGTZWPUKSI-WMLDXEAASA-N 0 0 383.467 3.912 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](CC(C)C)C2)c2ccc(F)cc2C1 ZINC000184027960 1014571311 /nfs/dbraw/zinc/57/13/11/1014571311.db2.gz ICWULPWABMXDFY-JXFKEZNVSA-N 0 0 375.488 3.697 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)[C@@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000185252292 1014577210 /nfs/dbraw/zinc/57/72/10/1014577210.db2.gz DKUOGMQQEFOPNW-FGZHOGPDSA-N 0 0 395.478 3.948 10 0 GHAERN CCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000000697019 203849338 /nfs/dbraw/zinc/84/93/38/203849338.db2.gz HBNFLCSGJVWFGT-UHFFFAOYSA-N 0 0 394.431 3.656 10 0 GHAERN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)n1 ZINC000003438776 204006595 /nfs/dbraw/zinc/00/65/95/204006595.db2.gz PDRFEDGWJPGLMR-UHFFFAOYSA-N 0 0 376.460 3.578 10 0 GHAERN CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC ZINC000004213120 204032300 /nfs/dbraw/zinc/03/23/00/204032300.db2.gz CIBHDGPIOICRGX-IRRJNTFVSA-N 0 0 380.525 3.730 10 0 in-man GHAERN COc1ccc(-n2c3nnc(SCC(C)C)n3c3ccccc3c2=O)cc1 ZINC000004269295 204036140 /nfs/dbraw/zinc/03/61/40/204036140.db2.gz IMOCRVDPJQUWIE-UHFFFAOYSA-N 0 0 380.473 3.790 10 0 GHAERN O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccc1 ZINC000004903076 204088639 /nfs/dbraw/zinc/08/86/39/204088639.db2.gz DOZNZKXDSPYFNF-HSZRJFAPSA-N 0 0 384.479 3.785 10 0 GHAERN COc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5)CC4)oc3nc2c1 ZINC000004907937 204089868 /nfs/dbraw/zinc/08/98/68/204089868.db2.gz PCCONCWIUABIAB-UHFFFAOYSA-N 0 0 387.439 3.952 10 0 GHAERN CCC(=O)N1CCN(C(=O)c2cc3ccoc3n2Cc2ccccc2C)C[C@@H]1C ZINC000004421790 204044859 /nfs/dbraw/zinc/04/48/59/204044859.db2.gz IXGVZOUZRQSOAU-KRWDZBQOSA-N 0 0 393.487 3.674 10 0 GHAERN COc1cccc(Cc2nsc(NCCc3ccc(OC)c(OC)c3)n2)c1 ZINC000005096884 204111380 /nfs/dbraw/zinc/11/13/80/204111380.db2.gz OTSQMDWJGCLJPB-UHFFFAOYSA-N 0 0 385.489 3.809 10 0 GHAERN COc1ccc(-c2cn3c(C)c(C(=O)NCCCOC(C)C)sc3n2)cc1 ZINC000004930985 204093493 /nfs/dbraw/zinc/09/34/93/204093493.db2.gz LGWCWBYTICBBPP-UHFFFAOYSA-N 0 0 387.505 3.925 10 0 GHAERN COc1ccc(Cl)cc1NC(=O)CSc1cc(=O)n(C)c2ccccc12 ZINC000005007587 204102342 /nfs/dbraw/zinc/10/23/42/204102342.db2.gz WLRUBHAOEDNSTO-UHFFFAOYSA-N 0 0 388.876 3.931 10 0 GHAERN O=c1[nH]c2cc(Cl)ccc2n1C1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000006117407 204165727 /nfs/dbraw/zinc/16/57/27/204165727.db2.gz WFJWTVCUKPPEOR-INIZCTEOSA-N 0 0 399.878 3.872 10 0 in-man GHAERN Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NC(C)C)C4)sc3n2)cc1 ZINC000006876817 204218928 /nfs/dbraw/zinc/21/89/28/204218928.db2.gz LDNOJULYZIMGCZ-INIZCTEOSA-N 0 0 383.521 3.507 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000006585818 204184878 /nfs/dbraw/zinc/18/48/78/204184878.db2.gz TWVCUKGHNOBLSU-INIZCTEOSA-N 0 0 384.435 3.901 10 0 GHAERN Cc1ccc(-c2cc(C(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)n2)cc1 ZINC000006659477 204189333 /nfs/dbraw/zinc/18/93/33/204189333.db2.gz QJZHUDPDGNIUET-HLLBOEOZSA-N 0 0 378.400 3.565 10 0 GHAERN O=C1CCSc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2N1 ZINC000007003351 204230462 /nfs/dbraw/zinc/23/04/62/204230462.db2.gz NBYQQGYFTHYTPI-UHFFFAOYSA-N 0 0 386.857 3.714 10 0 GHAERN CCOC(=O)c1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccco2)c1 ZINC000033072265 204943668 /nfs/dbraw/zinc/94/36/68/204943668.db2.gz KKZOTNWMOJNALA-IBGZPJMESA-N 0 0 377.400 3.618 10 0 GHAERN COCCNC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1OC ZINC000035987256 205000563 /nfs/dbraw/zinc/00/05/63/205000563.db2.gz ZOUBJEPXXHEGQG-UHFFFAOYSA-N 0 0 393.443 3.629 10 0 GHAERN Nc1c(Nc2ccc(Br)cn2)ncnc1Nc1ccc(F)cc1F ZINC000040779959 205070455 /nfs/dbraw/zinc/07/04/55/205070455.db2.gz ZZHYJTDHUVPSMC-UHFFFAOYSA-N 0 0 393.195 3.982 10 0 GHAERN CSc1nc2ccsc2c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000057504824 205157638 /nfs/dbraw/zinc/15/76/38/205157638.db2.gz NOCGIEQAHPSEIK-UHFFFAOYSA-N 0 0 399.419 3.837 10 0 GHAERN CC(C)CCn1c2nnc(CN(C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000058164507 205166181 /nfs/dbraw/zinc/16/61/81/205166181.db2.gz PAYAVDPLDZLEEE-UHFFFAOYSA-N 0 0 389.503 3.722 10 0 GHAERN O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004130 205205761 /nfs/dbraw/zinc/20/57/61/205205761.db2.gz IFYXDIVUTOUPEC-UHFFFAOYSA-N 0 0 378.450 3.898 10 0 GHAERN Cc1cn2c(nc(C(C)C)c2S(=O)(=O)NCc2cc(C)ccc2C)s1 ZINC000065183557 205215615 /nfs/dbraw/zinc/21/56/15/205215615.db2.gz AUUOMAQFZDSSJT-UHFFFAOYSA-N 0 0 377.535 3.923 10 0 GHAERN CCc1ccc([C@@]2(Cc3ccc(OCc4ccccc4)cc3)NC(N)=NC2=O)cc1 ZINC000071974319 205300706 /nfs/dbraw/zinc/30/07/06/205300706.db2.gz QUAYPVFDVOOZEE-RUZDIDTESA-N 0 0 399.494 3.711 10 0 GHAERN CCOCCOCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)OC)cc12 ZINC000146786729 205702537 /nfs/dbraw/zinc/70/25/37/205702537.db2.gz YIEYDQPMSQCHQY-UHFFFAOYSA-N 0 0 386.423 3.563 10 0 GHAERN O=C1[C@@H]2ON(Cc3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 ZINC000001396804 205807716 /nfs/dbraw/zinc/80/77/16/205807716.db2.gz HZMSYRZEXJWYIO-XPWALMASSA-N 0 0 398.462 3.729 10 0 GHAERN CCOc1ccc(-c2cc(C(=O)NCCN3CCCc4ccccc43)[nH]n2)cc1 ZINC000057413660 206211393 /nfs/dbraw/zinc/21/13/93/206211393.db2.gz LMWRZUSDKOULCF-UHFFFAOYSA-N 0 0 390.487 3.658 10 0 GHAERN O=C(c1ccc2c(c1)nnn2C1CCCC1)N1CCN(c2ccccc2)CC1 ZINC000064818521 136157788 /nfs/dbraw/zinc/15/77/88/136157788.db2.gz OWCUBOFMSCYUOT-UHFFFAOYSA-N 0 0 375.476 3.509 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1ccncc1)CC2 ZINC000275929953 519470995 /nfs/dbraw/zinc/47/09/95/519470995.db2.gz KNHAFOZTZXLEOT-GOSISDBHSA-N 0 0 384.505 3.578 10 0 GHAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2cnccn2)cc1 ZINC000015066241 570875757 /nfs/dbraw/zinc/87/57/57/570875757.db2.gz MRAWZHDTRHSJJH-HXUWFJFHSA-N 0 0 389.503 3.733 10 0 GHAERN CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000000583671 570949241 /nfs/dbraw/zinc/94/92/41/570949241.db2.gz NXMZBNYLCVTRGB-UHFFFAOYSA-N 0 0 393.468 3.866 10 0 investigational GHAERN O=C(c1cccc(OC[C@@H]2CCCN(C(=O)C3CCCC3)C2)c1)N1CCCC1 ZINC000033311438 570970814 /nfs/dbraw/zinc/97/08/14/570970814.db2.gz QYXYPKVRFJTDOI-GOSISDBHSA-N 0 0 384.520 3.730 10 0 GHAERN Cc1nc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000102908255 837402853 /nfs/dbraw/zinc/40/28/53/837402853.db2.gz BMAMAXLOCZFZPA-LSDHHAIUSA-N 0 0 395.290 3.666 10 0 GHAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@H](c1ccccc1)c1ccncc1 ZINC000104409988 837423092 /nfs/dbraw/zinc/42/30/92/837423092.db2.gz ZEFRXOVXNPYEQQ-XMMPIXPASA-N 0 0 385.467 3.805 10 0 GHAERN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)n1 ZINC000105048262 837511566 /nfs/dbraw/zinc/51/15/66/837511566.db2.gz NHFOECBQZJFHDY-GFCCVEGCSA-N 0 0 392.381 3.690 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)NCc3ccc(OC4CCCCC4)cc3)C2)cn1 ZINC000116541543 834360002 /nfs/dbraw/zinc/36/00/02/834360002.db2.gz IDTQQIIIFZQHJN-GOSISDBHSA-N 0 0 382.508 3.831 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3ccnn3[C@@H](C)C3CC3)C2)c1 ZINC000156618669 834475570 /nfs/dbraw/zinc/47/55/70/834475570.db2.gz ZYFOCFUIRZAGJO-HOCLYGCPSA-N 0 0 384.480 3.893 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC(Cc3nccn3C)CC2)n1 ZINC000156925631 834647838 /nfs/dbraw/zinc/64/78/38/834647838.db2.gz JFCKCCYGMZMHIV-UHFFFAOYSA-N 0 0 392.507 3.709 10 0 GHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066984314 834732109 /nfs/dbraw/zinc/73/21/09/834732109.db2.gz SJHSQRIZIRMYBU-HOTGVXAUSA-N 0 0 389.462 3.542 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000110882273 834777683 /nfs/dbraw/zinc/77/76/83/834777683.db2.gz ZTLHKGOLCOAFMX-QGZVFWFLSA-N 0 0 397.504 3.560 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C2)c1 ZINC000111749269 834991237 /nfs/dbraw/zinc/99/12/37/834991237.db2.gz XBWJLDQYYOFRBE-MRXNPFEDSA-N 0 0 384.871 3.900 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111825466 834998477 /nfs/dbraw/zinc/99/84/77/834998477.db2.gz PVIDGOHPKXKECI-ZBFHGGJFSA-N 0 0 375.494 3.841 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CCC(C)(C)c4ccccc43)CC2)n1 ZINC000111844814 834999964 /nfs/dbraw/zinc/99/99/64/834999964.db2.gz ZBXCKVQXBGFPJU-KXBFYZLASA-N 0 0 397.523 3.579 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246946526 835161867 /nfs/dbraw/zinc/16/18/67/835161867.db2.gz JVOYVUGCIFTUAR-HOJAQTOUSA-N 0 0 378.520 3.823 10 0 GHAERN Brc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cc2c1 ZINC000329592596 835315001 /nfs/dbraw/zinc/31/50/01/835315001.db2.gz BZUMTRFTOSKKFU-IUODEOHRSA-N 0 0 390.237 3.781 10 0 GHAERN O=S(=O)(Cc1noc2ccccc12)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000329603429 835339016 /nfs/dbraw/zinc/33/90/16/835339016.db2.gz YMOSHEVRPGENNF-AAEUAGOBSA-N 0 0 376.400 3.616 10 0 GHAERN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)NCc1cscn1 ZINC000101609246 835388510 /nfs/dbraw/zinc/38/85/10/835388510.db2.gz INAUOPZBHWDICK-CQSZACIVSA-N 0 0 396.310 3.961 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000158520245 835418876 /nfs/dbraw/zinc/41/88/76/835418876.db2.gz MNHVDWZSTQOHRS-YJBOKZPZSA-N 0 0 398.898 3.896 10 0 GHAERN CCn1nc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)c(=O)c2ccccc21 ZINC000329627527 835453264 /nfs/dbraw/zinc/45/32/64/835453264.db2.gz UHAZMJSAHADLLW-OAHLLOKOSA-N 0 0 396.516 3.510 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000101812726 835661881 /nfs/dbraw/zinc/66/18/81/835661881.db2.gz URIIQVJCVUQGIF-INIZCTEOSA-N 0 0 398.513 3.818 10 0 GHAERN O=C([C@@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000158968439 835666030 /nfs/dbraw/zinc/66/60/30/835666030.db2.gz IBAXVNPMLDCAAB-PKOBYXMFSA-N 0 0 390.474 3.710 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3cccc(C(=O)NCc4ccco4)c3)CCO2)o1 ZINC000159193534 835755592 /nfs/dbraw/zinc/75/55/92/835755592.db2.gz BDBSKPYJIRCWIT-NRFANRHFSA-N 0 0 380.444 3.685 10 0 GHAERN Brc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000329739003 835821426 /nfs/dbraw/zinc/82/14/26/835821426.db2.gz UQQMIRQDEKPSGN-YHUYYLMFSA-N 0 0 390.281 3.639 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 ZINC000246994048 836067836 /nfs/dbraw/zinc/06/78/36/836067836.db2.gz SSFNLAUHKWSUDI-IXDOHACOSA-N 0 0 384.501 3.732 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccncc1 ZINC000102548033 837182267 /nfs/dbraw/zinc/18/22/67/837182267.db2.gz ADONCYBYUJVBAV-PBHICJAKSA-N 0 0 395.438 3.921 10 0 GHAERN Cc1nnc([C@H](NC(=O)Cc2csc(-c3cccs3)n2)c2ccccc2)[nH]1 ZINC000103281891 837294331 /nfs/dbraw/zinc/29/43/31/837294331.db2.gz NIFPRVJBMJTTOF-QGZVFWFLSA-N 0 0 395.513 3.746 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc21 ZINC000333212828 844291847 /nfs/dbraw/zinc/29/18/47/844291847.db2.gz KIJHZWXWTYGSSP-IRMTXWDGSA-N 0 0 382.508 3.679 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000407984652 838392782 /nfs/dbraw/zinc/39/27/82/838392782.db2.gz XJVGGWJBAQBJRH-QGZVFWFLSA-N 0 0 390.915 3.653 10 0 GHAERN COCCc1nc(C)c([C@@H](C)Nc2ccc(OC3CC[NH+](C)CC3)nc2)s1 ZINC000179745750 838431079 /nfs/dbraw/zinc/43/10/79/838431079.db2.gz WIBVECYTLAOGSR-CQSZACIVSA-N 0 0 390.553 3.682 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000303583140 839077127 /nfs/dbraw/zinc/07/71/27/839077127.db2.gz FJNJNLVAVQLWMD-CJNGLKHVSA-N 0 0 389.908 3.903 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117034039 839538940 /nfs/dbraw/zinc/53/89/40/839538940.db2.gz OHITVMPLMNSZOU-IEBWSBKVSA-N 0 0 399.539 3.932 10 0 GHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000117032370 839539244 /nfs/dbraw/zinc/53/92/44/839539244.db2.gz ZNGLAYVZKYMHDQ-SUMWQHHRSA-N 0 0 375.542 3.756 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1cccc(F)c1 ZINC000333973664 839881981 /nfs/dbraw/zinc/88/19/81/839881981.db2.gz XRVBKMJTHBDQOY-UVHBULKNSA-N 0 0 382.483 3.726 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)CC2)n1 ZINC000108794362 840239989 /nfs/dbraw/zinc/23/99/89/840239989.db2.gz WYVBCQFUBILDTR-LJQANCHMSA-N 0 0 397.544 3.710 10 0 GHAERN COc1ccc([C@H](CNC(=O)/C=C\c2ccncn2)c2c[nH]c3ccccc32)cc1 ZINC000588393410 840400845 /nfs/dbraw/zinc/40/08/45/840400845.db2.gz NWGIHSKAPZEMTL-OMCJBDSBSA-N 0 0 398.466 3.928 10 0 GHAERN CCc1nc(CN2CCC(CNC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cs1 ZINC000111043810 840611169 /nfs/dbraw/zinc/61/11/69/840611169.db2.gz SZJACIXQTOHKEK-MRXNPFEDSA-N 0 0 390.380 3.618 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 ZINC000188825909 841066545 /nfs/dbraw/zinc/06/65/45/841066545.db2.gz ZTTKXXSNWALCDK-UHFFFAOYSA-N 0 0 389.459 3.651 10 0 GHAERN C[C@@H]1CCN(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000408132974 841083790 /nfs/dbraw/zinc/08/37/90/841083790.db2.gz MEGQIZQJQNAGDP-GFCCVEGCSA-N 0 0 399.969 3.716 10 0 GHAERN C[C@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)C1 ZINC000328785459 841393279 /nfs/dbraw/zinc/39/32/79/841393279.db2.gz WEZZROAXCZADKO-MHORFTMASA-N 0 0 376.545 3.612 10 0 GHAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247172402 841574145 /nfs/dbraw/zinc/57/41/45/841574145.db2.gz YRBJHDLWDYJZNH-ALKREAHSSA-N 0 0 395.341 3.717 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc(COC(C)C)cc2)c2ccccc2)[nH]1 ZINC000109382947 841731306 /nfs/dbraw/zinc/73/13/06/841731306.db2.gz UJAZJURMASHJRM-LJQANCHMSA-N 0 0 379.464 3.949 10 0 GHAERN O=C(NC[C@H]1COc2ccccc2O1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000105743288 841784777 /nfs/dbraw/zinc/78/47/77/841784777.db2.gz KPQNPQHLYKWOSR-KRWDZBQOSA-N 0 0 391.398 3.627 10 0 GHAERN Cc1cc2c(cc1NS(=O)(=O)/C=C\c1cccc(Br)c1)OCO2 ZINC000588417921 841796035 /nfs/dbraw/zinc/79/60/35/841796035.db2.gz SUVYILRZMKRFOB-WAYWQWQTSA-N 0 0 396.262 3.899 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CC2 ZINC000247430346 842300901 /nfs/dbraw/zinc/30/09/01/842300901.db2.gz WERIZTUSBSRTQX-VHDGCEQUSA-N 0 0 393.318 3.943 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4noc(C(C)C)n4)C3)[nH]n2)cc1 ZINC000328827700 842333756 /nfs/dbraw/zinc/33/37/56/842333756.db2.gz IOFHCNKVYKBACA-INIZCTEOSA-N 0 0 379.464 3.911 10 0 GHAERN C[C@@H]1CC(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000094069955 842423582 /nfs/dbraw/zinc/42/35/82/842423582.db2.gz KMXJRACKLOGTDV-HUUCEWRRSA-N 0 0 393.915 3.610 10 0 GHAERN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000162875906 842892520 /nfs/dbraw/zinc/89/25/20/842892520.db2.gz KHNNILUPVBCVLJ-UHFFFAOYSA-N 0 0 378.432 3.651 10 0 GHAERN O=C(Nc1ncccc1OCC1CCCCC1)N1CCC(n2cncn2)CC1 ZINC000163174924 842970534 /nfs/dbraw/zinc/97/05/34/842970534.db2.gz SHNKTERXJZBLOX-UHFFFAOYSA-N 0 0 384.484 3.501 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CCCCC[C@H]1c1ccncc1 ZINC000247632270 842983277 /nfs/dbraw/zinc/98/32/77/842983277.db2.gz SYUMAQXUXSRYDL-HBFSDRIKSA-N 0 0 375.538 3.763 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329412393 861389592 /nfs/dbraw/zinc/38/95/92/861389592.db2.gz CITLUIJWYWGQFF-JWWIWJDOSA-N 0 0 382.460 3.504 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000162456061 843256068 /nfs/dbraw/zinc/25/60/68/843256068.db2.gz HWAVZKBBCPZWCL-UHFFFAOYSA-N 0 0 383.883 3.559 10 0 GHAERN CCN(CC)c1nc2sc(C(=O)N3CCC[C@@H]3c3noc(C)n3)cc2s1 ZINC000329419088 861396065 /nfs/dbraw/zinc/39/60/65/861396065.db2.gz ZVPFNZZUXFUWCI-LLVKDONJSA-N 0 0 391.522 3.873 10 0 GHAERN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162578859 843269657 /nfs/dbraw/zinc/26/96/57/843269657.db2.gz GMQLXGCSGIJZHU-UHFFFAOYSA-N 0 0 394.544 3.871 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2 ZINC000408385728 843286776 /nfs/dbraw/zinc/28/67/76/843286776.db2.gz MIBPZSBBASTTDS-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN COc1cc(CNC(=O)/C=C\c2ncccc2C)ccc1OCC(F)(F)F ZINC000588451862 843307439 /nfs/dbraw/zinc/30/74/39/843307439.db2.gz BQRWOCPUBPOPMI-VURMDHGXSA-N 0 0 380.366 3.669 10 0 GHAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NCCC[C@H]1CCCCO1 ZINC000588457072 843372145 /nfs/dbraw/zinc/37/21/45/843372145.db2.gz HZSMSZLINTUNGY-IVOILVROSA-N 0 0 388.327 3.689 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)CC2 ZINC000247352593 843561357 /nfs/dbraw/zinc/56/13/57/843561357.db2.gz LMCYRSOTGINDQT-OWCLPIDISA-N 0 0 392.425 3.655 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408265889 843671026 /nfs/dbraw/zinc/67/10/26/843671026.db2.gz VEARXCMCLBAEPD-OFQRWUPVSA-N 0 0 389.462 3.588 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000125201207 843805712 /nfs/dbraw/zinc/80/57/12/843805712.db2.gz WNBOEPZEQKYKBA-IBGZPJMESA-N 0 0 375.476 3.696 10 0 GHAERN CC[C@@](C)(NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc(C)cs1 ZINC000150735251 844986460 /nfs/dbraw/zinc/98/64/60/844986460.db2.gz VWZRPGLAPFXRRJ-KBXCAEBGSA-N 0 0 375.519 3.696 10 0 GHAERN CS(=O)(=O)Cc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1F ZINC000150854314 845054258 /nfs/dbraw/zinc/05/42/58/845054258.db2.gz ITEGHBBPAOGRQG-UHFFFAOYSA-N 0 0 388.464 3.692 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c(Br)n1 ZINC000151309204 845186008 /nfs/dbraw/zinc/18/60/08/845186008.db2.gz VFGOAFLVIOQKEC-CQSZACIVSA-N 0 0 375.270 3.871 10 0 GHAERN O=C(c1cccc(OC2CCCCC2)c1)N1CCC(Nc2cccnn2)CC1 ZINC000159155770 861567818 /nfs/dbraw/zinc/56/78/18/861567818.db2.gz ZUSWKHYMKIOYCN-UHFFFAOYSA-N 0 0 380.492 3.905 10 0 GHAERN CC[C@H](C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1)c1cccc(C(F)(F)F)c1 ZINC000248826895 845450813 /nfs/dbraw/zinc/45/08/13/845450813.db2.gz GXPQNPYOKQNLMU-JYJNAYRXSA-N 0 0 397.397 3.879 10 0 GHAERN O=C(NCc1nc(-c2ccccc2F)cs1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333008339 845511996 /nfs/dbraw/zinc/51/19/96/845511996.db2.gz QEIRHYGVJQWJAM-XOBRGWDASA-N 0 0 389.496 3.786 10 0 GHAERN O=S(=O)(c1sc2ccccc2c1Cl)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333492442 845570043 /nfs/dbraw/zinc/57/00/43/845570043.db2.gz ZPQAENMRHFGNBY-PXAZEXFGSA-N 0 0 385.938 3.870 10 0 GHAERN O=S(=O)(c1sc2ccccc2c1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333492448 845570057 /nfs/dbraw/zinc/57/00/57/845570057.db2.gz ZPQAENMRHFGNBY-YVEFUNNKSA-N 0 0 385.938 3.870 10 0 GHAERN CCCOc1nc2ccccc2cc1/C=C\C(=O)N[C@H](CCO)c1ccco1 ZINC000588488283 845621669 /nfs/dbraw/zinc/62/16/69/845621669.db2.gz YPDNDPCVEGPUAH-ZBTAVZRMSA-N 0 0 380.444 3.870 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3N(C)C(=O)c3ccco3)CCO2)o1 ZINC000151734699 845623037 /nfs/dbraw/zinc/62/30/37/845623037.db2.gz CNWAMLROJOEOKH-FQEVSTJZSA-N 0 0 394.427 3.671 10 0 GHAERN Cc1c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2cnccc21 ZINC000333507332 845652134 /nfs/dbraw/zinc/65/21/34/845652134.db2.gz LIDWKYMOQPZKEX-YMXCIHAJSA-N 0 0 387.487 3.632 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000151881014 845939318 /nfs/dbraw/zinc/93/93/18/845939318.db2.gz YWGXEXDPRDXIIV-HXUWFJFHSA-N 0 0 395.528 3.901 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1F ZINC000152045752 846173205 /nfs/dbraw/zinc/17/32/05/846173205.db2.gz ILYBDTZZYYLNKL-XSBJJCPUSA-N 0 0 396.422 3.806 10 0 GHAERN O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000329038045 846200270 /nfs/dbraw/zinc/20/02/70/846200270.db2.gz RVXHGPAFAZYQOB-XKDCRVNJSA-N 0 0 377.488 3.692 10 0 GHAERN O=C(Oc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152451700 847105898 /nfs/dbraw/zinc/10/58/98/847105898.db2.gz DUQIBPKRNBLAOB-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN CC(C)Cc1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000152473139 847157921 /nfs/dbraw/zinc/15/79/21/847157921.db2.gz YEYZNPZXCFKINU-FZKQIMNGSA-N 0 0 394.313 3.993 10 0 GHAERN CC(C)n1nc(C(=O)N(C)C2C3CC4CC(C3)CC2C4)c2ccccc2c1=O ZINC000046442026 847176743 /nfs/dbraw/zinc/17/67/43/847176743.db2.gz HDQKQFRTQNTSAY-UHFFFAOYSA-N 0 0 379.504 3.874 10 0 GHAERN CCn1c(N2CCC[C@H]2c2noc(C)n2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329610657 861771965 /nfs/dbraw/zinc/77/19/65/861771965.db2.gz NUOVPVJIQXDBSQ-HQHQJUQOSA-N 0 0 382.512 3.799 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC000329611721 861772393 /nfs/dbraw/zinc/77/23/93/861772393.db2.gz JUYVQFABMINVLW-XHSDSOJGSA-N 0 0 385.599 3.669 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000153188564 848246079 /nfs/dbraw/zinc/24/60/79/848246079.db2.gz MSAQEPWCXOOOHE-UHFFFAOYSA-N 0 0 379.441 3.658 10 0 GHAERN C[C@@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1c(F)cccc1F ZINC000154858507 849381959 /nfs/dbraw/zinc/38/19/59/849381959.db2.gz GAKLBPRJNLNZBT-CYBMUJFWSA-N 0 0 378.444 3.505 10 0 GHAERN Cc1nc2sc3c(c2c(N2CCC([C@@H](O)c4nccn4C)CC2)n1)CCCC3 ZINC000154882245 849392554 /nfs/dbraw/zinc/39/25/54/849392554.db2.gz BAXBRMGSZJNQLL-GOSISDBHSA-N 0 0 397.548 3.562 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N(CCCO)[C@@H]1CCc2ccccc21 ZINC000155427387 849526623 /nfs/dbraw/zinc/52/66/23/849526623.db2.gz CCDVANPBUUVVKF-HXUWFJFHSA-N 0 0 399.560 3.798 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000246696637 849866237 /nfs/dbraw/zinc/86/62/37/849866237.db2.gz FOUXVNDPHACOET-SBHAEUEKSA-N 0 0 382.508 3.712 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H](c4nccs4)C3)C2)cc1 ZINC000170890674 851597669 /nfs/dbraw/zinc/59/76/69/851597669.db2.gz BTUHYHIRTVZSKA-MOPGFXCFSA-N 0 0 397.544 3.710 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@@H](C)N(C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101566421 851665957 /nfs/dbraw/zinc/66/59/57/851665957.db2.gz QKNGQYNFBAIHIX-MRXNPFEDSA-N 0 0 386.492 3.788 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000101937758 852016572 /nfs/dbraw/zinc/01/65/72/852016572.db2.gz LZZMGBMYIZIIRJ-NSHDSACASA-N 0 0 383.323 3.989 10 0 GHAERN C[C@@]12CN(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333884509 852231749 /nfs/dbraw/zinc/23/17/49/852231749.db2.gz XDPPETRFIVVXKC-XBJMDHIQSA-N 0 0 395.547 3.890 10 0 GHAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000329893115 862401732 /nfs/dbraw/zinc/40/17/32/862401732.db2.gz AKENOEFARJWTIC-WBMJQRKESA-N 0 0 384.307 3.708 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000329894590 862403693 /nfs/dbraw/zinc/40/36/93/862403693.db2.gz JZXKVEPZTLXHQG-ZDUSSCGKSA-N 0 0 378.398 3.722 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCSC[C@@H]1c1nccs1 ZINC000329950025 862448535 /nfs/dbraw/zinc/44/85/35/862448535.db2.gz HPKOXQZDAPYEPF-TZMCWYRMSA-N 0 0 391.543 3.912 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000171645252 853511297 /nfs/dbraw/zinc/51/12/97/853511297.db2.gz TUWFTEGPVUDICI-IRXDYDNUSA-N 0 0 398.532 3.793 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCO[C@@H](c3cccs3)C1)C2 ZINC000334090579 854046684 /nfs/dbraw/zinc/04/66/84/854046684.db2.gz NXQSRSPAGQZVIS-WMLDXEAASA-N 0 0 388.537 3.593 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3N3CCCC3)C2)cc1C ZINC000330111496 862581798 /nfs/dbraw/zinc/58/17/98/862581798.db2.gz RFCBTFCTHFOSTO-LJQANCHMSA-N 0 0 380.492 3.984 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000328950064 854614360 /nfs/dbraw/zinc/61/43/60/854614360.db2.gz NGXJGJHXTINFGV-SLFFLAALSA-N 0 0 394.519 3.689 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)c(C)n1C1CCCCC1 ZINC000127351745 854937138 /nfs/dbraw/zinc/93/71/38/854937138.db2.gz GDYAKIIMFQXONI-QFIPXVFZSA-N 0 0 384.524 3.731 10 0 GHAERN Cc1ccn2ncc(C(=O)Nc3ccc(OCc4cn5ccccc5n4)cc3)c2n1 ZINC000105974389 855159713 /nfs/dbraw/zinc/15/97/13/855159713.db2.gz SQKFGYYYFNQEIR-UHFFFAOYSA-N 0 0 398.426 3.517 10 0 GHAERN Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1Br ZINC000190495588 855327275 /nfs/dbraw/zinc/32/72/75/855327275.db2.gz BADUQSXYOWWHCJ-MAUKXSAKSA-N 0 0 381.314 3.594 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)N2CCN(c3nc4ccccc4o3)CC2)s1 ZINC000172387861 857389787 /nfs/dbraw/zinc/38/97/87/857389787.db2.gz FXNHCRGEIKAGLC-AWEZNQCLSA-N 0 0 384.505 3.661 10 0 GHAERN O=C(c1cc(Br)sc1Br)N1CCC[C@@]12CCOC2 ZINC000367512732 858966725 /nfs/dbraw/zinc/96/67/25/858966725.db2.gz GCNBZZRZQWHSDP-LBPRGKRZSA-N 0 0 395.116 3.668 10 0 GHAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130177217 859563017 /nfs/dbraw/zinc/56/30/17/859563017.db2.gz IGLIDADCKWXBFK-MRXNPFEDSA-N 0 0 395.503 3.942 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000023669916 860299993 /nfs/dbraw/zinc/29/99/93/860299993.db2.gz FYQMBTGFGKTDLU-VUVZNRFTSA-N 0 0 391.471 3.536 10 0 GHAERN Cc1ccccc1-n1c(SC[C@H](O)COC(C)C)nnc1-c1cccnc1 ZINC000102608839 860361519 /nfs/dbraw/zinc/36/15/19/860361519.db2.gz LAPGJEHFJNAOAT-QGZVFWFLSA-N 0 0 384.505 3.516 10 0 GHAERN O=C(C[C@@H]1CCc2ccccc2C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267773108 860420502 /nfs/dbraw/zinc/42/05/02/860420502.db2.gz ZNAOJXTZDYLSAM-XLIONFOSSA-N 0 0 378.520 3.863 10 0 GHAERN CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1 ZINC000171429992 860424789 /nfs/dbraw/zinc/42/47/89/860424789.db2.gz FZQCSDKPIGQUBE-GOEBONIOSA-N 0 0 377.510 3.535 10 0 GHAERN COc1ccccc1C1(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)CCCC1 ZINC000171352606 860424923 /nfs/dbraw/zinc/42/49/23/860424923.db2.gz JBMOJPGLJDMAAD-LJQANCHMSA-N 0 0 382.508 3.787 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccccc2Br)c1 ZINC000102695710 860819467 /nfs/dbraw/zinc/81/94/67/860819467.db2.gz RBGSGKCHMLPPFM-LBPRGKRZSA-N 0 0 393.281 3.756 10 0 GHAERN CC(C)(C(=O)Nc1n[nH]c(C(F)(F)F)n1)c1cccc(Br)c1 ZINC000102889657 860885311 /nfs/dbraw/zinc/88/53/11/860885311.db2.gz YYVPRAGIUFJKQF-UHFFFAOYSA-N 0 0 377.164 3.502 10 0 GHAERN COc1cc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@]3(C)O)[nH]c2cc1OC ZINC000329061342 860985354 /nfs/dbraw/zinc/98/53/54/860985354.db2.gz NNPFXTPDTHAXFB-QXATTWAWSA-N 0 0 386.492 3.731 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000329107747 861023545 /nfs/dbraw/zinc/02/35/45/861023545.db2.gz PHFIFVOYEOUXAC-MSOLQXFVSA-N 0 0 383.517 3.554 10 0 GHAERN CCCn1c(C)cc(C(=O)CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1C ZINC000103472609 863999001 /nfs/dbraw/zinc/99/90/01/863999001.db2.gz AKACPBNSOTWLNH-KRWDZBQOSA-N 0 0 375.557 3.570 10 0 GHAERN CN1CCN(C(=O)COc2ccc(Cl)c3cccnc23)c2ccccc2C1 ZINC000103410797 864013863 /nfs/dbraw/zinc/01/38/63/864013863.db2.gz FOXDHQVVZLLJKD-UHFFFAOYSA-N 0 0 381.863 3.746 10 0 GHAERN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103728276 864072368 /nfs/dbraw/zinc/07/23/68/864072368.db2.gz XVLBSZWYLVXASK-UHFFFAOYSA-N 0 0 382.855 3.558 10 0 GHAERN CC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccc(Cl)cc1 ZINC000103741669 864080201 /nfs/dbraw/zinc/08/02/01/864080201.db2.gz ZFAVJGOMTJVLEG-MRXNPFEDSA-N 0 0 376.247 3.850 10 0 GHAERN CC(C)c1noc([C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2C)C2CCOCC2)n1 ZINC000333006719 864186992 /nfs/dbraw/zinc/18/69/92/864186992.db2.gz NSGQVHRNGFCUMD-NIKGAXFTSA-N 0 0 398.507 3.893 10 0 GHAERN COc1ccc(CCNC(=O)c2ccc(-n3cccc3)c(F)c2)c(OC)c1OC ZINC000104405976 864317249 /nfs/dbraw/zinc/31/72/49/864317249.db2.gz KZPPBFZOQQBPAH-UHFFFAOYSA-N 0 0 398.434 3.615 10 0 GHAERN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1cc(F)ccc1F ZINC000104560133 864339200 /nfs/dbraw/zinc/33/92/00/864339200.db2.gz YMPJYXKJOGMFDM-UHFFFAOYSA-N 0 0 384.411 3.754 10 0 GHAERN c1ccc(-c2nc3c(c(N4CCC(c5noc(C6CC6)n5)CC4)n2)CCC3)nc1 ZINC000302148222 865733649 /nfs/dbraw/zinc/73/36/49/865733649.db2.gz AAKYELODIZMKLE-UHFFFAOYSA-N 0 0 388.475 3.672 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000248418724 866203492 /nfs/dbraw/zinc/20/34/92/866203492.db2.gz KOGGBQWLSPPDBV-PVXIVEMSSA-N 0 0 385.917 3.754 10 0 GHAERN Cc1csc(N2CCN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)n1 ZINC000151031722 866572073 /nfs/dbraw/zinc/57/20/73/866572073.db2.gz OEAZRTLSUAEHCA-INIZCTEOSA-N 0 0 386.521 3.586 10 0 GHAERN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114741688 866770259 /nfs/dbraw/zinc/77/02/59/866770259.db2.gz KPKXTLIUSYSJGM-ZDUSSCGKSA-N 0 0 390.452 3.871 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000170818402 882057672 /nfs/dbraw/zinc/05/76/72/882057672.db2.gz JQORTPYJSSKHIG-RBUKOAKNSA-N 0 0 377.492 3.640 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000180432490 867281012 /nfs/dbraw/zinc/28/10/12/867281012.db2.gz YIXVJWMADIXXGY-BFUOFWGJSA-N 0 0 394.302 3.946 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000171222710 882089268 /nfs/dbraw/zinc/08/92/68/882089268.db2.gz RWBTVGZOGBIHCI-USXRGHEGSA-N 0 0 397.478 3.893 10 0 GHAERN COc1ccc(Br)c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000171647750 882121370 /nfs/dbraw/zinc/12/13/70/882121370.db2.gz HFOMRHLVDVBUFG-NSHDSACASA-N 0 0 381.295 3.934 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171849080 882164527 /nfs/dbraw/zinc/16/45/27/882164527.db2.gz JNQXKCSNVMCPBU-IBGZPJMESA-N 0 0 383.517 3.757 10 0 GHAERN CC(=O)N(c1nc(CN[C@H]2Cc3ccccc3[C@H]2O)cs1)c1ccc(F)cc1 ZINC000172067905 882167294 /nfs/dbraw/zinc/16/72/94/882167294.db2.gz LPJGPLWKEFGHBC-VQTJNVASSA-N 0 0 397.475 3.715 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H]1CCc2ccccc2C1 ZINC000172139892 882171886 /nfs/dbraw/zinc/17/18/86/882171886.db2.gz BYKLFUQRGLORAF-QFIPXVFZSA-N 0 0 394.490 3.694 10 0 GHAERN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C(C)C ZINC000172157232 882174885 /nfs/dbraw/zinc/17/48/85/882174885.db2.gz YZPBFRHVXLYBNE-MJGOQNOKSA-N 0 0 392.507 3.719 10 0 GHAERN COc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000172229990 882190122 /nfs/dbraw/zinc/19/01/22/882190122.db2.gz BUYDZGDNHFHXJU-ZBFHGGJFSA-N 0 0 389.521 3.681 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000245826143 868867858 /nfs/dbraw/zinc/86/78/58/868867858.db2.gz YKIXZLOZDHTQBW-ZNOIYHFQSA-N 0 0 380.492 3.609 10 0 GHAERN CNC(=O)c1ccc(C)c(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000172457177 882277298 /nfs/dbraw/zinc/27/72/98/882277298.db2.gz KFGPSBMFFXTRPD-MAUKXSAKSA-N 0 0 381.476 3.773 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172464382 882278579 /nfs/dbraw/zinc/27/85/79/882278579.db2.gz CFWKCNVHEZXRBK-LEWJYISDSA-N 0 0 387.439 3.719 10 0 GHAERN O=C(Nc1cccc(COCc2ccco2)c1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172466306 882278947 /nfs/dbraw/zinc/27/89/47/882278947.db2.gz JTSXZTSPLKFCOB-SFTDATJTSA-N 0 0 378.428 3.776 10 0 GHAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097216 882281357 /nfs/dbraw/zinc/28/13/57/882281357.db2.gz LKHKBAKTTJZNAY-NJAFHUGGSA-N 0 0 375.900 3.509 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000172636302 882281500 /nfs/dbraw/zinc/28/15/00/882281500.db2.gz CVBZECZGOUALBM-WOJBJXKFSA-N 0 0 398.478 3.596 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000172695820 882285805 /nfs/dbraw/zinc/28/58/05/882285805.db2.gz JOFYIMQKNPLKCE-QGZVFWFLSA-N 0 0 391.515 3.690 10 0 GHAERN CC(C)C[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172506228 882291454 /nfs/dbraw/zinc/29/14/54/882291454.db2.gz LJOIYOLALAMMEA-SFHVURJKSA-N 0 0 378.432 3.579 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1 ZINC000172810497 882309585 /nfs/dbraw/zinc/30/95/85/882309585.db2.gz MREGUSAKPZWQTB-HXUWFJFHSA-N 0 0 397.494 3.977 10 0 GHAERN Cc1ccc(C(C)(C)CN(C)C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172770469 882306972 /nfs/dbraw/zinc/30/69/72/882306972.db2.gz SGDRKRGQJZHJRA-UHFFFAOYSA-N 0 0 393.531 3.678 10 0 GHAERN CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000172898676 882321802 /nfs/dbraw/zinc/32/18/02/882321802.db2.gz UVVGPVNYQRPNBT-KRWDZBQOSA-N 0 0 385.533 3.825 10 0 GHAERN Cn1cc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 ZINC000173126004 882351144 /nfs/dbraw/zinc/35/11/44/882351144.db2.gz BREBCEVPLSLRAE-ZHACJKMWSA-N 0 0 393.531 3.833 10 0 GHAERN CC(C)(C)OC(=O)CCCCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173444820 882361218 /nfs/dbraw/zinc/36/12/18/882361218.db2.gz PQTCPWVATAGSTM-HNNXBMFYSA-N 0 0 381.542 3.934 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000190043944 870317459 /nfs/dbraw/zinc/31/74/59/870317459.db2.gz JTKRXTWBSUGKOV-RTBURBONSA-N 0 0 385.464 3.692 10 0 GHAERN CC(C)c1nc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000173935021 882396853 /nfs/dbraw/zinc/39/68/53/882396853.db2.gz XBTARRBHEBEHNF-UHFFFAOYSA-N 0 0 381.841 3.616 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)cc1F ZINC000126760450 870432255 /nfs/dbraw/zinc/43/22/55/870432255.db2.gz OPSUXRMPMOOIIA-UHMOLFJZSA-N 0 0 382.483 3.939 10 0 GHAERN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c12 ZINC000046489430 870434430 /nfs/dbraw/zinc/43/44/30/870434430.db2.gz HYTVPOOTXJESAE-WOJBJXKFSA-N 0 0 390.487 3.727 10 0 GHAERN O=C(N[C@H]1CCCOc2ccc(F)cc21)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000053364636 870564514 /nfs/dbraw/zinc/56/45/14/870564514.db2.gz QMEVNZMOGGURDP-HOTGVXAUSA-N 0 0 388.464 3.522 10 0 GHAERN O=C(c1cnc(-c2ccccc2)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174086935 882424096 /nfs/dbraw/zinc/42/40/96/882424096.db2.gz JGWHXAUFEXJNST-UHFFFAOYSA-N 0 0 376.435 3.999 10 0 GHAERN O=C(Nc1cccc2ccccc21)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174227994 882437062 /nfs/dbraw/zinc/43/70/62/882437062.db2.gz PQHYZXMSQMHWMF-UHFFFAOYSA-N 0 0 391.475 3.840 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c2ccccc21 ZINC000248502835 871069231 /nfs/dbraw/zinc/06/92/31/871069231.db2.gz UKQRKXRVYQBRGR-XPGWFJOJSA-N 0 0 378.476 3.515 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000174526976 882477386 /nfs/dbraw/zinc/47/73/86/882477386.db2.gz BCJYEYSBGPLINX-GOSISDBHSA-N 0 0 390.549 3.551 10 0 GHAERN COc1ccc([C@H](C)NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1F ZINC000174569664 882482613 /nfs/dbraw/zinc/48/26/13/882482613.db2.gz GNLLJXPHEGIIRG-HNNXBMFYSA-N 0 0 386.471 3.567 10 0 GHAERN Cc1ccc(C(C)(C)CNC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cc1 ZINC000103105542 871277444 /nfs/dbraw/zinc/27/74/44/871277444.db2.gz GXKGKCODDRXZCJ-DHZHZOJOSA-N 0 0 392.503 3.721 10 0 GHAERN Cc1cc(C)cc([C@@H](C)NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000174788302 882502396 /nfs/dbraw/zinc/50/23/96/882502396.db2.gz ZYSDDVKAAZIBFW-QGZVFWFLSA-N 0 0 397.523 3.542 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)CCOc3ccc(C(C)=O)cc3)c2)o1 ZINC000175378318 882547505 /nfs/dbraw/zinc/54/75/05/882547505.db2.gz STKJGVXKFWZERO-UHFFFAOYSA-N 0 0 379.416 3.909 10 0 GHAERN COc1cccc([C@H](C)CC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000175405415 882552127 /nfs/dbraw/zinc/55/21/27/882552127.db2.gz XBSAEKRGCVERNI-MRXNPFEDSA-N 0 0 386.517 3.625 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3coc(-c4ccccc4)n3)C2)c1 ZINC000175410114 882553530 /nfs/dbraw/zinc/55/35/30/882553530.db2.gz DAJCTDYGPORONA-MRXNPFEDSA-N 0 0 378.428 3.989 10 0 GHAERN CCS[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175272062 882562890 /nfs/dbraw/zinc/56/28/90/882562890.db2.gz CDVHTELDVWMULX-HOTGVXAUSA-N 0 0 380.579 3.781 10 0 GHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175263415 882563080 /nfs/dbraw/zinc/56/30/80/882563080.db2.gz JTRJWGZQFVALOA-RBUKOAKNSA-N 0 0 392.540 3.858 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1C ZINC000101607785 872140584 /nfs/dbraw/zinc/14/05/84/872140584.db2.gz SMURIHUHQMURGD-UHFFFAOYSA-N 0 0 393.491 3.543 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175489076 882586171 /nfs/dbraw/zinc/58/61/71/882586171.db2.gz QYKYRTRVWYLXOV-HNNXBMFYSA-N 0 0 378.519 3.672 10 0 GHAERN CC(C)COC(=O)N1CCCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000101776547 872249870 /nfs/dbraw/zinc/24/98/70/872249870.db2.gz NCNFPQQAYGPBGR-HXUWFJFHSA-N 0 0 399.491 3.879 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3c3cccn3C)CC2)nc1 ZINC000175564144 882597740 /nfs/dbraw/zinc/59/77/40/882597740.db2.gz CAAUAVKWTWKMFI-HXUWFJFHSA-N 0 0 381.524 3.634 10 0 GHAERN CN1C(=O)CC[C@@H](C(=O)N2CCC(OCC3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000175616777 882605499 /nfs/dbraw/zinc/60/54/99/882605499.db2.gz AOUQXHNASZFMBB-GGAORHGYSA-N 0 0 398.547 3.794 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000175911155 882614663 /nfs/dbraw/zinc/61/46/63/882614663.db2.gz BUTQBDDUVAINJS-CVEARBPZSA-N 0 0 393.553 3.851 10 0 GHAERN CC(=O)N(CCC(=O)OCc1csc(Br)c1)Cc1ccccc1 ZINC000101965214 872454788 /nfs/dbraw/zinc/45/47/88/872454788.db2.gz ROZVBLUYGDEYPQ-UHFFFAOYSA-N 0 0 396.306 3.993 10 0 GHAERN CN(C(=O)NCc1cccnc1-n1cncn1)C1c2ccccc2-c2ccccc21 ZINC000175936441 882616781 /nfs/dbraw/zinc/61/67/81/882616781.db2.gz XCGXDEMTFVVSDD-UHFFFAOYSA-N 0 0 396.454 3.574 10 0 GHAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)OCCCn2c(C)nc3ccccc32)C1 ZINC000102125489 872614642 /nfs/dbraw/zinc/61/46/42/872614642.db2.gz NCLOZGLOXTVPKL-AEFFLSMTSA-N 0 0 385.508 3.563 10 0 GHAERN COCCOc1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1Cl ZINC000102320050 872898569 /nfs/dbraw/zinc/89/85/69/872898569.db2.gz WMOPZWGUOXMUPC-UHFFFAOYSA-N 0 0 392.864 3.714 10 0 GHAERN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102319925 872899344 /nfs/dbraw/zinc/89/93/44/872899344.db2.gz ZLBMRVIDFYZONA-UHFFFAOYSA-N 0 0 383.473 3.939 10 0 GHAERN O=C(c1ncncc1Cl)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000176294998 882674642 /nfs/dbraw/zinc/67/46/42/882674642.db2.gz TUAJDIASPACIGR-CYBMUJFWSA-N 0 0 390.629 3.790 10 0 GHAERN O=C(C/C=C/c1ccccc1F)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000176460614 882695109 /nfs/dbraw/zinc/69/51/09/882695109.db2.gz QNLGRQVRJOXLRE-YFCVBGDOSA-N 0 0 386.496 3.850 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)[C@@H](C)c1ccccc1 ZINC000176470175 882696619 /nfs/dbraw/zinc/69/66/19/882696619.db2.gz MHNWLTONTRUQEE-AOIWGVFYSA-N 0 0 377.492 3.811 10 0 GHAERN O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000116166363 873303574 /nfs/dbraw/zinc/30/35/74/873303574.db2.gz WPNSPPUMCMXBMA-IAGOWNOFSA-N 0 0 390.474 3.710 10 0 GHAERN Cc1nc(-c2c[nH]c(C(=O)NC3CCN(c4cccc(C)n4)CC3)c2)cs1 ZINC000116836976 873726569 /nfs/dbraw/zinc/72/65/69/873726569.db2.gz FQSWFUQXZTVGDD-UHFFFAOYSA-N 0 0 381.505 3.549 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(OC(F)F)c3)CC2)n1 ZINC000117000747 873845215 /nfs/dbraw/zinc/84/52/15/873845215.db2.gz YOUJZDXDNWEKKN-UHFFFAOYSA-N 0 0 376.407 3.782 10 0 GHAERN C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000117611437 874074710 /nfs/dbraw/zinc/07/47/10/874074710.db2.gz VPJQQMAJMJTWMW-CKNLXJGOSA-N 0 0 379.460 3.712 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000117783745 874161965 /nfs/dbraw/zinc/16/19/65/874161965.db2.gz NTTHIKDSRLFQHQ-VBKZILBWSA-N 0 0 379.485 3.819 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3N(C)C[C@H]2C)c(C)c1 ZINC000177778192 882824598 /nfs/dbraw/zinc/82/45/98/882824598.db2.gz GJLFBYWDPJAOMN-MRXNPFEDSA-N 0 0 380.492 3.617 10 0 GHAERN Clc1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000177589150 882834908 /nfs/dbraw/zinc/83/49/08/882834908.db2.gz YQHVUCUAWQTPJB-IBGZPJMESA-N 0 0 381.900 3.757 10 0 GHAERN CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000177713377 882844192 /nfs/dbraw/zinc/84/41/92/882844192.db2.gz GDURSLQLWDGOPC-UHFFFAOYSA-N 0 0 377.444 3.776 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 ZINC000178539003 882901929 /nfs/dbraw/zinc/90/19/29/882901929.db2.gz PVUAYANOZZPFTL-UHFFFAOYSA-N 0 0 376.460 3.702 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000178541225 882902225 /nfs/dbraw/zinc/90/22/25/882902225.db2.gz OJQLBDKCKQYHDD-UHFFFAOYSA-N 0 0 398.507 3.862 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(-n4cnc5ccccc54)nc3)CCO2)o1 ZINC000119401806 875229278 /nfs/dbraw/zinc/22/92/78/875229278.db2.gz ILZKSFZDBVKFCD-HXUWFJFHSA-N 0 0 388.427 3.536 10 0 GHAERN CN(c1ccccc1)c1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cn1 ZINC000178621035 882926689 /nfs/dbraw/zinc/92/66/89/882926689.db2.gz HUKPRCZCADIHRW-UHFFFAOYSA-N 0 0 389.503 3.678 10 0 GHAERN O=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000153943539 875620015 /nfs/dbraw/zinc/62/00/15/875620015.db2.gz MUGCKLCOIDAGMZ-SFHVURJKSA-N 0 0 390.447 3.620 10 0 GHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179358842 882964560 /nfs/dbraw/zinc/96/45/60/882964560.db2.gz VKQDCOHCWXEBGC-UHFFFAOYSA-N 0 0 383.467 3.629 10 0 GHAERN CC(C)(C(=O)NCc1cccnc1-n1cncn1)c1ccc(-c2ccccc2)cc1 ZINC000179120014 882971687 /nfs/dbraw/zinc/97/16/87/882971687.db2.gz XQCQTLIRJZSKSS-UHFFFAOYSA-N 0 0 397.482 3.923 10 0 GHAERN CCS[C@H](C)c1noc(CN(C)C(=O)Nc2c[nH]nc2-c2ccccc2)n1 ZINC000179482775 883003769 /nfs/dbraw/zinc/00/37/69/883003769.db2.gz UFROSDQPFLQNNM-GFCCVEGCSA-N 0 0 386.481 3.938 10 0 GHAERN COCCn1ccc2ccc(NC(=O)N3CCO[C@H](c4ccc(C)o4)C3)cc21 ZINC000179435991 882998629 /nfs/dbraw/zinc/99/86/29/882998629.db2.gz HQIGWXPZMKFQPK-FQEVSTJZSA-N 0 0 383.448 3.795 10 0 GHAERN CCOCc1cc(CN2CCCN(C(=O)c3cccs3)CC2)ccc1OC ZINC000179651358 883017139 /nfs/dbraw/zinc/01/71/39/883017139.db2.gz PDBOJUKLDKMGFB-UHFFFAOYSA-N 0 0 388.533 3.641 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000121043500 876456072 /nfs/dbraw/zinc/45/60/72/876456072.db2.gz MUMCEYHDGHXTAY-RRFJBIMHSA-N 0 0 379.526 3.543 10 0 GHAERN C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000179814807 883030176 /nfs/dbraw/zinc/03/01/76/883030176.db2.gz OIFBRDLGMMNPJZ-CHWSQXEVSA-N 0 0 389.452 3.691 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCC[C@H]1Cn1ccnc1 ZINC000180288374 883072890 /nfs/dbraw/zinc/07/28/90/883072890.db2.gz SMTWNNFTTPEGFB-INIZCTEOSA-N 0 0 388.431 3.783 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(NC(=O)NC(C)C)c3)CC2)nc1 ZINC000180870403 883104981 /nfs/dbraw/zinc/10/49/81/883104981.db2.gz KUFJQARZOPOISN-UHFFFAOYSA-N 0 0 396.491 3.604 10 0 GHAERN CC(C)c1ncc(Cl)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000122400890 878887003 /nfs/dbraw/zinc/88/70/03/878887003.db2.gz SMJIYPHJWHYMJN-UHFFFAOYSA-N 0 0 392.931 3.508 10 0 GHAERN COc1cccc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000122563277 879072444 /nfs/dbraw/zinc/07/24/44/879072444.db2.gz ASDFWHZBBBBUHY-UHFFFAOYSA-N 0 0 378.837 3.514 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)nc1 ZINC000181201364 883126832 /nfs/dbraw/zinc/12/68/32/883126832.db2.gz SLYUYZLSJFTIGT-UHFFFAOYSA-N 0 0 394.500 3.548 10 0 GHAERN O=C(CCCc1ccc(Br)s1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181358740 883145826 /nfs/dbraw/zinc/14/58/26/883145826.db2.gz MWTGWRDBZYGIQM-LBPRGKRZSA-N 0 0 383.315 3.705 10 0 GHAERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)s1 ZINC000181564166 883163254 /nfs/dbraw/zinc/16/32/54/883163254.db2.gz ZZHVKXDOHPXDIA-AWEZNQCLSA-N 0 0 375.494 3.546 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000182553903 883226571 /nfs/dbraw/zinc/22/65/71/883226571.db2.gz ISDPNZLDKPOJSK-UHFFFAOYSA-N 0 0 396.491 3.988 10 0 GHAERN CC(C)(C)OC(=O)NCCCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000182608623 883227740 /nfs/dbraw/zinc/22/77/40/883227740.db2.gz VNUNNVNUVOHFJK-IBGZPJMESA-N 0 0 398.507 3.775 10 0 GHAERN COc1cc([C@H](C)Nc2ccccc2-n2ccc(C)n2)ccc1S(C)(=O)=O ZINC000183440198 883266570 /nfs/dbraw/zinc/26/65/70/883266570.db2.gz SUSOQBDDBPBYAZ-HNNXBMFYSA-N 0 0 385.489 3.766 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490529 883266898 /nfs/dbraw/zinc/26/68/98/883266898.db2.gz DJTUPSCQXWOIIT-UYAOXDASSA-N 0 0 385.533 3.865 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCCC2(C)C)c2ccc(F)cc2C1 ZINC000184036586 883303109 /nfs/dbraw/zinc/30/31/09/883303109.db2.gz OBVMWBQWVSYICZ-OALUTQOASA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)s2)c2ccc(F)cc2C1 ZINC000184040978 883303668 /nfs/dbraw/zinc/30/36/68/883303668.db2.gz FYMJEQRORHOHQE-MRXNPFEDSA-N 0 0 395.887 3.833 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000183815347 883304007 /nfs/dbraw/zinc/30/40/07/883304007.db2.gz ZIDJOXNQNNKQPD-BXUZGUMPSA-N 0 0 398.433 3.783 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NCc2ncc(-c3ccccc3)cn2)n1 ZINC000183853782 883304980 /nfs/dbraw/zinc/30/49/80/883304980.db2.gz XJBPNHMXWBGDML-UHFFFAOYSA-N 0 0 385.418 3.864 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@@H](C)c3nc(C)cs3)C2)c1 ZINC000183918445 883310746 /nfs/dbraw/zinc/31/07/46/883310746.db2.gz RVMVHIUXAJZEGJ-HIFRSBDPSA-N 0 0 389.521 3.771 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184080491 883315072 /nfs/dbraw/zinc/31/50/72/883315072.db2.gz PBNSENUYUDVHSL-UHFFFAOYSA-N 0 0 380.370 3.566 10 0 GHAERN COc1ccc(OC(C)C)c(NC(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000184103693 883319469 /nfs/dbraw/zinc/31/94/69/883319469.db2.gz PAROISAGNOBSAK-UHFFFAOYSA-N 0 0 384.480 3.622 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)/C=C/c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000184112848 883320446 /nfs/dbraw/zinc/32/04/46/883320446.db2.gz QSQQFQRYGQOKER-AQKVLALTSA-N 0 0 388.389 3.727 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cccc3ncccc32)c2ccc(F)cc2C1 ZINC000184160890 883325676 /nfs/dbraw/zinc/32/56/76/883325676.db2.gz KXBFYURTOMARMP-NRFANRHFSA-N 0 0 377.419 3.597 10 0 GHAERN O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184058573 883332776 /nfs/dbraw/zinc/33/27/76/883332776.db2.gz GTPYZYGJNUUCEW-FCHUYYIVSA-N 0 0 397.490 3.890 10 0 GHAERN CCCc1c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnn1-c1cccc(F)c1 ZINC000184324874 883344029 /nfs/dbraw/zinc/34/40/29/883344029.db2.gz RNWQXIUCEDNAQR-GOSISDBHSA-N 0 0 397.458 3.841 10 0 GHAERN Cn1cc([C@H](NCc2cc(Cl)cc3c2OCOC3)c2ccc(F)cc2)cn1 ZINC000184599903 883360321 /nfs/dbraw/zinc/36/03/21/883360321.db2.gz DOPACRZASCEIMU-LJQANCHMSA-N 0 0 387.842 3.958 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(Cc2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185242136 883429792 /nfs/dbraw/zinc/42/97/92/883429792.db2.gz PDKANHGOQYHXNE-JOCHJYFZSA-N 0 0 395.478 3.993 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 ZINC000102547561 883541923 /nfs/dbraw/zinc/54/19/23/883541923.db2.gz YVMSRWBGRYGESJ-IBGZPJMESA-N 0 0 385.508 3.555 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccccc2Cl)c2ccc(F)cc2C1 ZINC000185515099 883549158 /nfs/dbraw/zinc/54/91/58/883549158.db2.gz DUPSONDHQJGIJO-IBGZPJMESA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185522744 883550437 /nfs/dbraw/zinc/55/04/37/883550437.db2.gz OCFKXKHHAJTHRC-LJQANCHMSA-N 0 0 392.833 3.770 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)c2ccc(F)cc2C1 ZINC000185538372 883552967 /nfs/dbraw/zinc/55/29/67/883552967.db2.gz YVIYRWALFHWXOM-LJQANCHMSA-N 0 0 376.378 3.636 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2F)c2ccc(F)cc2C1 ZINC000185543354 883554114 /nfs/dbraw/zinc/55/41/14/883554114.db2.gz CRHMFOGEGHYUGW-HXUWFJFHSA-N 0 0 386.442 3.852 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(F)c(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185550111 883555402 /nfs/dbraw/zinc/55/54/02/883555402.db2.gz CIHAXDBSTYCFCD-SFHVURJKSA-N 0 0 396.796 3.981 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc3c(cccc3F)[nH]2)c2ccc(F)cc2C1 ZINC000185688034 883573714 /nfs/dbraw/zinc/57/37/14/883573714.db2.gz ORWRZXVRAUTUNO-LJQANCHMSA-N 0 0 383.398 3.669 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 ZINC000185776011 883583610 /nfs/dbraw/zinc/58/36/10/883583610.db2.gz KBOXWLJZOWFRLM-UHFFFAOYSA-N 0 0 398.507 3.701 10 0 GHAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186596038 883667720 /nfs/dbraw/zinc/66/77/20/883667720.db2.gz OAEMFYQYYAIFJJ-IBGZPJMESA-N 0 0 382.464 3.560 10 0 GHAERN Cc1cc([C@@H]2CN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CCO2)ccc1F ZINC000186640343 883679183 /nfs/dbraw/zinc/67/91/83/883679183.db2.gz YWCTYJZOBLYQDF-IBGZPJMESA-N 0 0 398.438 3.717 10 0 GHAERN Cc1ccc(OCCCCNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186643282 883680851 /nfs/dbraw/zinc/68/08/51/883680851.db2.gz QFMPHFDLPOXUAG-UHFFFAOYSA-N 0 0 382.464 3.953 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cncnc4)cc3F)CC2)nc1 ZINC000186666013 883684127 /nfs/dbraw/zinc/68/41/27/883684127.db2.gz BKBIZLCTTKYVOS-UHFFFAOYSA-N 0 0 392.434 3.670 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3)ccc2NC1=O ZINC000186662448 883684910 /nfs/dbraw/zinc/68/49/10/883684910.db2.gz KYAVBOVUXWPARP-MRXNPFEDSA-N 0 0 399.882 3.718 10 0 GHAERN Cc1csc(-c2cccc(C(=O)N3CCC(c4nc(N(C)C)no4)CC3)c2)n1 ZINC000186776857 883700705 /nfs/dbraw/zinc/70/07/05/883700705.db2.gz MVKXHDLBYBLOCY-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000186822539 883708607 /nfs/dbraw/zinc/70/86/07/883708607.db2.gz MUZWMWSWKFYJPD-OLZOCXBDSA-N 0 0 378.450 3.556 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CC[C@@]3(C2)OCc2ccccc23)cc1OC ZINC000186939284 883719051 /nfs/dbraw/zinc/71/90/51/883719051.db2.gz VGFONPIPNWDVKR-NMXNWIABSA-N 0 0 379.456 3.765 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccc(-n2cccn2)cc1 ZINC000187374191 883781864 /nfs/dbraw/zinc/78/18/64/883781864.db2.gz ISLANGLTODRXFF-HNNXBMFYSA-N 0 0 396.520 3.676 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000187665818 883805908 /nfs/dbraw/zinc/80/59/08/883805908.db2.gz DMXGAKYFRKBDIV-UHFFFAOYSA-N 0 0 395.887 3.598 10 0 GHAERN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(Nc2nccs2)CC1 ZINC000187819273 883808364 /nfs/dbraw/zinc/80/83/64/883808364.db2.gz DYKICWOXIZSZRC-ZWKOTPCHSA-N 0 0 386.521 3.649 10 0 GHAERN CC(=O)N(c1nc(/C=C/C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cs1)c1ccccc1 ZINC000188356181 883836165 /nfs/dbraw/zinc/83/61/65/883836165.db2.gz QQOFVRKHIBGLHW-PWHNWJGYSA-N 0 0 397.500 3.525 10 0 GHAERN C[C@](O)(CCNC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000188362189 883836637 /nfs/dbraw/zinc/83/66/37/883836637.db2.gz RNMJOCDBDLOGME-WFXMLNOXSA-N 0 0 388.533 3.643 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(NC(C)=O)ccc3C)C2)c1 ZINC000188233377 883841653 /nfs/dbraw/zinc/84/16/53/883841653.db2.gz GCPOQQJAPVTVHR-MRXNPFEDSA-N 0 0 382.460 3.600 10 0 GHAERN Cc1cccc2nc(C3CCN(C(=O)/C=C/c4ccc(C(N)=O)cc4)CC3)oc21 ZINC000188507201 883853875 /nfs/dbraw/zinc/85/38/75/883853875.db2.gz HKVKAPZUSUCYNF-JXMROGBWSA-N 0 0 389.455 3.655 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1)C1CC1 ZINC000188507019 883854587 /nfs/dbraw/zinc/85/45/87/883854587.db2.gz VBWUCYXGDFSBEK-UHFFFAOYSA-N 0 0 385.493 3.600 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)CCCc1nc3ccccc3s1)[C@H]2C ZINC000188732750 883864574 /nfs/dbraw/zinc/86/45/74/883864574.db2.gz QQUHFKIQFLCRFL-AWEZNQCLSA-N 0 0 383.521 3.937 10 0 GHAERN COc1ccccc1-c1nc(C2CCN(C(=O)N[C@H](C)CC3CC3)CC2)no1 ZINC000188901952 883884368 /nfs/dbraw/zinc/88/43/68/883884368.db2.gz TXEGAGIBMPQAOO-CQSZACIVSA-N 0 0 384.480 3.823 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1Cc2cnnn2Cc2ccccc21 ZINC000188993776 883895131 /nfs/dbraw/zinc/89/51/31/883895131.db2.gz CVASKRCTIUGRCJ-UHFFFAOYSA-N 0 0 379.470 3.672 10 0 GHAERN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189834206 884015076 /nfs/dbraw/zinc/01/50/76/884015076.db2.gz NWPTWORLUCLQSA-FQEVSTJZSA-N 0 0 393.483 3.953 10 0 GHAERN Cc1nc(-c2ncccn2)sc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189837414 884016334 /nfs/dbraw/zinc/01/63/34/884016334.db2.gz OSTFOSVLQIJOSU-UHFFFAOYSA-N 0 0 392.484 3.617 10 0 GHAERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189855015 884017379 /nfs/dbraw/zinc/01/73/79/884017379.db2.gz JDGHFOMULCRCEA-GOSISDBHSA-N 0 0 390.483 3.673 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190081541 884037663 /nfs/dbraw/zinc/03/76/63/884037663.db2.gz RLGNOYQUJKZZBG-FRFSOERESA-N 0 0 381.929 3.582 10 0 GHAERN COc1ccc(-c2cncc(C(=O)N3CCC(Nc4nccs4)CC3)c2)cc1 ZINC000190389984 884075666 /nfs/dbraw/zinc/07/56/66/884075666.db2.gz AHSYYDDJXGRNIX-UHFFFAOYSA-N 0 0 394.500 3.930 10 0 GHAERN CC(=O)c1cccc(OCCCC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190414592 884077405 /nfs/dbraw/zinc/07/74/05/884077405.db2.gz ZXIQKNQPHCLZOK-UHFFFAOYSA-N 0 0 387.505 3.608 10 0 GHAERN CCOc1cc(C(=O)N2CCC(Nc3nccs3)CC2)cc(Cl)c1O ZINC000190417913 884079178 /nfs/dbraw/zinc/07/91/78/884079178.db2.gz QGKZRWKDIWZHGV-UHFFFAOYSA-N 0 0 381.885 3.618 10 0 GHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000190629803 884103946 /nfs/dbraw/zinc/10/39/46/884103946.db2.gz ZWHQDZYDXLZLFV-ICSRJNTNSA-N 0 0 395.507 3.637 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 ZINC000191010903 884145476 /nfs/dbraw/zinc/14/54/76/884145476.db2.gz KDCNXZPSAWVORN-QAPCUYQASA-N 0 0 392.459 3.853 10 0 GHAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191530637 884196670 /nfs/dbraw/zinc/19/66/70/884196670.db2.gz FDSNPJFGVYGLQW-CYBMUJFWSA-N 0 0 389.446 3.674 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3cccc4cccnc34)cc2)n1 ZINC000064342160 884228883 /nfs/dbraw/zinc/22/88/83/884228883.db2.gz PQLXPXKOTDLODV-FMIVXFBMSA-N 0 0 382.423 3.945 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@@H](C)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000192287356 884248842 /nfs/dbraw/zinc/24/88/42/884248842.db2.gz HESUDUDNNCXROI-MRXNPFEDSA-N 0 0 396.487 3.599 10 0 GHAERN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)n1 ZINC000192357616 884253097 /nfs/dbraw/zinc/25/30/97/884253097.db2.gz ZDNCYCQZEGMQBY-IINYFYTJSA-N 0 0 377.293 3.567 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccn3)CC2)n1 ZINC000192421280 884261824 /nfs/dbraw/zinc/26/18/24/884261824.db2.gz CLSWWKXGIAEOFA-UHFFFAOYSA-N 0 0 379.386 3.594 10 0 GHAERN COCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000192805921 884302652 /nfs/dbraw/zinc/30/26/52/884302652.db2.gz IRMVCRGPUOYHHB-FQEVSTJZSA-N 0 0 390.439 3.632 10 0 GHAERN Cn1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C1 ZINC000193082203 884326618 /nfs/dbraw/zinc/32/66/18/884326618.db2.gz ZCVXWUFHUQRMRP-VIIAAUOXSA-N 0 0 396.438 3.846 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000193147481 884340358 /nfs/dbraw/zinc/34/03/58/884340358.db2.gz QADJNFBQNIJNTE-YVEFUNNKSA-N 0 0 392.286 3.870 10 0 GHAERN O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(F)cc1C(F)(F)F ZINC000102739163 884395682 /nfs/dbraw/zinc/39/56/82/884395682.db2.gz KXPFICFGEIGJDB-UHFFFAOYSA-N 0 0 384.354 3.922 10 0 GHAERN O=C(N1CCN(Cc2c(F)cccc2Cl)CC1)C1(c2ccc(F)cc2)CC1 ZINC000105768926 884856163 /nfs/dbraw/zinc/85/61/63/884856163.db2.gz LMVBRUADBWTSNV-UHFFFAOYSA-N 0 0 390.861 3.994 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C(=O)N(C)C)c2)n1 ZINC000105652924 884869627 /nfs/dbraw/zinc/86/96/27/884869627.db2.gz VUBHWEGGMZNJGD-UHFFFAOYSA-N 0 0 396.472 3.624 10 0 GHAERN COc1cccc(CNC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)c1OC ZINC000105925016 884907992 /nfs/dbraw/zinc/90/79/92/884907992.db2.gz YLYGKWWNRHMPTJ-UHFFFAOYSA-N 0 0 390.505 3.988 10 0 GHAERN COc1ccc(CC2CCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)CC2)cc1 ZINC000102956798 885980467 /nfs/dbraw/zinc/98/04/67/885980467.db2.gz CXVGIBRFJNDYON-UHFFFAOYSA-N 0 0 395.459 3.627 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000103599013 885996635 /nfs/dbraw/zinc/99/66/35/885996635.db2.gz BIRKOWVVIYJCBK-NRFANRHFSA-N 0 0 377.444 3.869 10 0 GHAERN COCCn1c(C)c(C)nc1[S@@](=O)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000108068907 886061280 /nfs/dbraw/zinc/06/12/80/886061280.db2.gz KBVSLARWTVFAMQ-AREMUKBSSA-N 0 0 393.896 3.763 10 0 GHAERN CN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](c1ccccc1)c1ccccn1 ZINC000109072276 886099696 /nfs/dbraw/zinc/09/96/96/886099696.db2.gz NIKYNMPJBHRINC-CTNGQTDRSA-N 0 0 393.531 3.914 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000112912685 886275669 /nfs/dbraw/zinc/27/56/69/886275669.db2.gz CIEIHOFYZVJCJD-HZPDHXFCSA-N 0 0 390.455 3.505 10 0 GHAERN CCOc1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1OC ZINC000114832323 886330890 /nfs/dbraw/zinc/33/08/90/886330890.db2.gz YGHYTUSHKCTVMZ-OAHLLOKOSA-N 0 0 375.494 3.640 10 0 GHAERN COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116942845 886374129 /nfs/dbraw/zinc/37/41/29/886374129.db2.gz LHISXYGFOJVPBN-HNNXBMFYSA-N 0 0 386.471 3.567 10 0 GHAERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@@]1(C)CC1(Cl)Cl ZINC000117708462 886390757 /nfs/dbraw/zinc/39/07/57/886390757.db2.gz LGASJSGGNBTUQQ-CXAGYDPISA-N 0 0 385.291 3.517 10 0 GHAERN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)[C@]1(C)CC1(Cl)Cl ZINC000117708458 886391517 /nfs/dbraw/zinc/39/15/17/886391517.db2.gz LGASJSGGNBTUQQ-DYVFJYSZSA-N 0 0 385.291 3.517 10 0 GHAERN O=C(/C=C/c1ccnc2ccccc12)N1CCCN(C(=O)c2cccs2)CC1 ZINC000117801165 886393949 /nfs/dbraw/zinc/39/39/49/886393949.db2.gz OEBWTXHTGGFQGX-CMDGGOBGSA-N 0 0 391.496 3.684 10 0 GHAERN CN(C)C(=O)COc1cccc(NC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000118013233 886399343 /nfs/dbraw/zinc/39/93/43/886399343.db2.gz PGEAGRILRNDYKK-UHFFFAOYSA-N 0 0 385.489 3.536 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000332681023 886539262 /nfs/dbraw/zinc/53/92/62/886539262.db2.gz HTJCCMPZRXWIAT-QZTJIDSGSA-N 0 0 398.482 3.513 10 0 GHAERN Cc1noc([C@@H](NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)C2CCOCC2)n1 ZINC000332776813 886543183 /nfs/dbraw/zinc/54/31/83/886543183.db2.gz VFYIGCHJJHBBAV-HWPZZCPQSA-N 0 0 396.850 3.699 10 0 GHAERN O=C(NC[C@H]1CCCSC1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000332894726 886558349 /nfs/dbraw/zinc/55/83/49/886558349.db2.gz TVDGRQYWEDCKJU-HIFRSBDPSA-N 0 0 377.535 3.522 10 0 GHAERN CC(C)(C)C1CCC(CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000123795784 886673399 /nfs/dbraw/zinc/67/33/99/886673399.db2.gz XXCOENITSGBDPC-UHFFFAOYSA-N 0 0 385.552 3.903 10 0 GHAERN COc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000124190294 886715591 /nfs/dbraw/zinc/71/55/91/886715591.db2.gz QZIOIZQANWHMKZ-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000042929325 886823177 /nfs/dbraw/zinc/82/31/77/886823177.db2.gz YOVNZNCKUKXSAD-IEBWSBKVSA-N 0 0 377.492 3.640 10 0 GHAERN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCN(c2ccccn2)CC1 ZINC000043440211 886861560 /nfs/dbraw/zinc/86/15/60/886861560.db2.gz DKFLIEJIWZLTBE-UHFFFAOYSA-N 0 0 390.491 3.512 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000126087053 886930578 /nfs/dbraw/zinc/93/05/78/886930578.db2.gz TWBDSEAZKUSGPI-UELRPHRMSA-N 0 0 376.416 3.586 10 0 GHAERN CCOC(=O)c1cccnc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000044325570 886954489 /nfs/dbraw/zinc/95/44/89/886954489.db2.gz LEJWLBDLNBVVQI-CQSZACIVSA-N 0 0 376.503 3.776 10 0 GHAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CC=C(c2cccs2)CC1 ZINC000126686335 886995852 /nfs/dbraw/zinc/99/58/52/886995852.db2.gz CXAKLVAQMOWQLF-UHFFFAOYSA-N 0 0 383.395 3.793 10 0 GHAERN CC(C)(CO)[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1 ZINC000126966512 887018975 /nfs/dbraw/zinc/01/89/75/887018975.db2.gz WHWXEIQBEHPPLS-MSOLQXFVSA-N 0 0 387.549 3.834 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3sccc3NC(=O)c3ccncc3)CCO2)o1 ZINC000127089813 887028760 /nfs/dbraw/zinc/02/87/60/887028760.db2.gz RIUFYHJNWFBHCS-QGZVFWFLSA-N 0 0 397.456 3.511 10 0 GHAERN CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C1CC1 ZINC000127938708 887125443 /nfs/dbraw/zinc/12/54/43/887125443.db2.gz LLAGEAWLYSXFOB-FIKGOQFSSA-N 0 0 395.551 3.767 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000046607103 887213230 /nfs/dbraw/zinc/21/32/30/887213230.db2.gz VVZCDOOGXYYXKY-UHFFFAOYSA-N 0 0 382.479 3.772 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1 ZINC000046874549 887240995 /nfs/dbraw/zinc/24/09/95/887240995.db2.gz XQXBJCSFYCBOGY-KRWDZBQOSA-N 0 0 377.492 3.596 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000129219002 887272366 /nfs/dbraw/zinc/27/23/66/887272366.db2.gz ULXPNKCGDSBSMY-IAGOWNOFSA-N 0 0 383.448 3.671 10 0 GHAERN COCCn1c(C)c(C)nc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000047561092 887340077 /nfs/dbraw/zinc/34/00/77/887340077.db2.gz GXHKNOCDHUJURG-HNNXBMFYSA-N 0 0 379.551 3.664 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000131104484 887510357 /nfs/dbraw/zinc/51/03/57/887510357.db2.gz BTIGNKVGWPHSBI-DZGCQCFKSA-N 0 0 381.423 3.798 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000131104250 887510440 /nfs/dbraw/zinc/51/04/40/887510440.db2.gz BTIGNKVGWPHSBI-UKRRQHHQSA-N 0 0 381.423 3.798 10 0 GHAERN CSCC[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 ZINC000050966638 887713300 /nfs/dbraw/zinc/71/33/00/887713300.db2.gz LVIOYYOLGIWNNG-KBXCAEBGSA-N 0 0 394.500 3.599 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000133379333 887756616 /nfs/dbraw/zinc/75/66/16/887756616.db2.gz NONCSXMDDOWMPG-VOMSXAGXSA-N 0 0 390.443 3.628 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(Br)cnc3Cl)CCO2)o1 ZINC000133536756 887774377 /nfs/dbraw/zinc/77/43/77/887774377.db2.gz YANXIFUIUMLZQR-ZDUSSCGKSA-N 0 0 385.645 3.613 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(OCc4cccnc4)c3)CCO2)o1 ZINC000133739658 887795480 /nfs/dbraw/zinc/79/54/80/887795480.db2.gz IXRNNXAUXYYRDT-OAQYLSRUSA-N 0 0 378.428 3.776 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000134091813 887833900 /nfs/dbraw/zinc/83/39/00/887833900.db2.gz XMCOIMWRJMAXJC-ROUUACIJSA-N 0 0 399.539 3.567 10 0 GHAERN CS(=O)(=O)Cc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1F ZINC000134097520 887834065 /nfs/dbraw/zinc/83/40/65/887834065.db2.gz LRRULRVGUPZOIU-UHFFFAOYSA-N 0 0 394.493 3.753 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000134284781 887848583 /nfs/dbraw/zinc/84/85/83/887848583.db2.gz GEQXHGWDLOPASI-GHTZIAJQSA-N 0 0 383.536 3.622 10 0 GHAERN Cc1cc([C@@H]2CN(C(=O)c3csc(-c4ccccn4)n3)CCO2)ccc1F ZINC000134803913 887915126 /nfs/dbraw/zinc/91/51/26/887915126.db2.gz HJOGUXGMXKQIDR-SFHVURJKSA-N 0 0 383.448 3.866 10 0 GHAERN O=C(Nc1ccc(N2CCc3sccc3C2)cc1)N[C@H]1CC[C@@H](CO)CC1 ZINC000135599224 888250682 /nfs/dbraw/zinc/25/06/82/888250682.db2.gz NSPZHRQXNWXACO-JCNLHEQBSA-N 0 0 385.533 3.983 10 0 GHAERN CNC(=O)c1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)cc1Cl ZINC000055892706 888337561 /nfs/dbraw/zinc/33/75/61/888337561.db2.gz MGVSVSTXQQHSPI-OAHLLOKOSA-N 0 0 377.897 3.537 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1)c1ccsc1 ZINC000056469317 888362227 /nfs/dbraw/zinc/36/22/27/888362227.db2.gz CDYHXKXHTGQNLJ-WOJBJXKFSA-N 0 0 398.528 3.637 10 0 GHAERN Cc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)c(OCC(=O)N(C)C)c1 ZINC000056773598 888376966 /nfs/dbraw/zinc/37/69/66/888376966.db2.gz GBOPXIYCBCQLTQ-UHFFFAOYSA-N 0 0 393.487 3.783 10 0 GHAERN COc1ccc(S[C@@H](C)C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057890857 888417330 /nfs/dbraw/zinc/41/73/30/888417330.db2.gz DCJJVPLMLBOOMH-UGSOOPFHSA-N 0 0 382.489 3.508 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)cc1C ZINC000058427940 888436325 /nfs/dbraw/zinc/43/63/25/888436325.db2.gz NWTVISMLTWULGC-UHFFFAOYSA-N 0 0 376.460 3.568 10 0 GHAERN COc1cc(C(=O)N2CCC[C@H](COc3ccccc3)C2)cc(OC)c1OC ZINC000062555173 888507451 /nfs/dbraw/zinc/50/74/51/888507451.db2.gz ARBWLNZSLLEHHL-INIZCTEOSA-N 0 0 385.460 3.644 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(CC2CCC2)C(C)C)c2ccc(F)cc2C1 ZINC000194209792 888568535 /nfs/dbraw/zinc/56/85/35/888568535.db2.gz UMWWGMLFDKSKOB-FQEVSTJZSA-N 0 0 375.488 3.839 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)N1CCC[C@H]1c1ccccc1Cl ZINC000194422894 888585971 /nfs/dbraw/zinc/58/59/71/888585971.db2.gz GPEIWIULTGAWOB-SFHVURJKSA-N 0 0 385.899 3.646 10 0 GHAERN COc1ccc([C@@H](NC(=O)Nc2ccc(Cl)nc2C)c2nccn2C)cc1 ZINC000194634411 888600031 /nfs/dbraw/zinc/60/00/31/888600031.db2.gz DMUONAYBSBEBOP-QGZVFWFLSA-N 0 0 385.855 3.697 10 0 GHAERN O=C(c1cc(O)ccc1C(F)(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000195071489 888642646 /nfs/dbraw/zinc/64/26/46/888642646.db2.gz MOUZMGAUPAAATO-UHFFFAOYSA-N 0 0 398.425 3.666 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000195078855 888644424 /nfs/dbraw/zinc/64/44/24/888644424.db2.gz CNHFQTLMNMFOTJ-PCCBWWKXSA-N 0 0 399.441 3.613 10 0 GHAERN Cc1ccc(CN[C@H](c2cccs2)c2ncc[nH]2)c(-n2cc(Cl)cn2)n1 ZINC000195128298 888647797 /nfs/dbraw/zinc/64/77/97/888647797.db2.gz ZYLAISDFNSERJD-MRXNPFEDSA-N 0 0 384.896 3.893 10 0 GHAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)CC[C@H]1CCOC1 ZINC000245592276 889033345 /nfs/dbraw/zinc/03/33/45/889033345.db2.gz GQIYVTDINQYUTK-QWQRMKEZSA-N 0 0 382.298 3.554 10 0 GHAERN Cc1cc(CC(=O)N[C@@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245612827 889065826 /nfs/dbraw/zinc/06/58/26/889065826.db2.gz WMKRNTHAMLQYPL-MJGOQNOKSA-N 0 0 379.863 3.658 10 0 GHAERN C[N@@H+]1CC[C@@H](CNC(=O)CCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662235 889185452 /nfs/dbraw/zinc/18/54/52/889185452.db2.gz GFNJAQSCLBSHGB-HRAATJIYSA-N 0 0 390.886 3.927 10 0 GHAERN CN1CC[C@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682391 889216656 /nfs/dbraw/zinc/21/66/56/889216656.db2.gz KGURHUZEXUZABU-FZKQIMNGSA-N 0 0 377.847 3.767 10 0 GHAERN CN1CC[C@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697991 889262264 /nfs/dbraw/zinc/26/22/64/889262264.db2.gz QFDFKOYMYUDLOH-MAUKXSAKSA-N 0 0 392.475 3.543 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1)C(C)C ZINC000245728849 889523061 /nfs/dbraw/zinc/52/30/61/889523061.db2.gz ALXOXXTZQWDBFD-VAMGGRTRSA-N 0 0 385.508 3.523 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245889322 889941488 /nfs/dbraw/zinc/94/14/88/889941488.db2.gz LBWZGBOLAMXQFK-XUVXKRRUSA-N 0 0 379.460 3.740 10 0 GHAERN CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246026346 890204410 /nfs/dbraw/zinc/20/44/10/890204410.db2.gz LXLPADQGKPSFEI-HUUCEWRRSA-N 0 0 385.537 3.542 10 0 GHAERN Cc1c(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cccc1N1CCOC1=O ZINC000246177453 890571589 /nfs/dbraw/zinc/57/15/89/890571589.db2.gz INOKNLVKSGNBNT-PWIZWCRZSA-N 0 0 377.444 3.802 10 0 GHAERN CC(C)CC(=O)N[C@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000066658228 891125919 /nfs/dbraw/zinc/12/59/19/891125919.db2.gz VJKNGAITVWOWNO-IBGZPJMESA-N 0 0 378.432 3.579 10 0 GHAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000067048646 891141097 /nfs/dbraw/zinc/14/10/97/891141097.db2.gz UCMNQBKVPCHJBS-VIFPVBQESA-N 0 0 386.702 3.974 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c(C(F)(F)F)c1 ZINC000247300651 891363127 /nfs/dbraw/zinc/36/31/27/891363127.db2.gz HUOJBVQJSQAINW-JGGQBBKZSA-N 0 0 385.386 3.743 10 0 GHAERN O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1)C1CC1 ZINC000247958232 891402772 /nfs/dbraw/zinc/40/27/72/891402772.db2.gz WFOFWZCMIAYLPI-UHFFFAOYSA-N 0 0 397.500 3.588 10 0 GHAERN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248662973 891454757 /nfs/dbraw/zinc/45/47/57/891454757.db2.gz YYDSJJLYDJAXOV-KBRIMQKVSA-N 0 0 395.425 3.644 10 0 GHAERN C[C@@H](C(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000248672214 891455912 /nfs/dbraw/zinc/45/59/12/891455912.db2.gz RGGMAZSIWRMVST-IJEWVQPXSA-N 0 0 389.521 3.898 10 0 GHAERN CCOC(=O)c1csc([C@H]2CCCN2C[C@@H](O)c2cccc(Cl)c2)n1 ZINC000248819999 891471960 /nfs/dbraw/zinc/47/19/60/891471960.db2.gz VJQFAKBZUXQCJF-HZPDHXFCSA-N 0 0 380.897 3.844 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000249143682 891499906 /nfs/dbraw/zinc/49/99/06/891499906.db2.gz FZHCXBQMVXXXQR-MANSERQUSA-N 0 0 386.517 3.561 10 0 GHAERN FC(F)(F)c1ccccc1N1CC[C@H](N[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249155769 891500407 /nfs/dbraw/zinc/50/04/07/891500407.db2.gz WRADEVBHULIRHO-MAUKXSAKSA-N 0 0 387.409 3.781 10 0 GHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163070733 893811055 /nfs/dbraw/zinc/81/10/55/893811055.db2.gz RSSXWVUTYWMHKS-PBHICJAKSA-N 0 0 385.899 3.912 10 0 GHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N1CCC(OCC(C)C)CC1 ZINC000102086575 897994091 /nfs/dbraw/zinc/99/40/91/897994091.db2.gz ZDRJNRCXXLCMRW-UHFFFAOYSA-N 0 0 395.503 3.659 10 0 GHAERN Cc1ccc(CN(C)Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)o1 ZINC000102888074 898046119 /nfs/dbraw/zinc/04/61/19/898046119.db2.gz MQATZABHQIEBMU-UHFFFAOYSA-N 0 0 376.503 3.747 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCO[C@@H](c2nccs2)C1 ZINC000111808322 898832101 /nfs/dbraw/zinc/83/21/01/898832101.db2.gz OZWNEXJMJMFPNT-ZIAGYGMSSA-N 0 0 379.482 3.602 10 0 GHAERN Cn1nc([C@H]2CCCO2)cc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000333047287 899919170 /nfs/dbraw/zinc/91/91/70/899919170.db2.gz PQRGQXRCSZMTEZ-DOTOQJQBSA-N 0 0 390.871 3.610 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000333127267 899984259 /nfs/dbraw/zinc/98/42/59/899984259.db2.gz HKGXRBSAVQJNEL-UVBSCNOISA-N 0 0 378.469 3.665 10 0 GHAERN C[C@@]1(F)CNCCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000333255831 901946325 /nfs/dbraw/zinc/94/63/25/901946325.db2.gz DFCSAYZOFROFAR-MGPUTAFESA-N 0 0 388.512 3.581 10 0 GHAERN Cc1nc([C@@H]2CCCN2c2nc(C(F)(F)F)c(Br)s2)no1 ZINC000333585654 902206119 /nfs/dbraw/zinc/20/61/19/902206119.db2.gz UPUILTLUGUSNEU-LURJTMIESA-N 0 0 383.193 3.957 10 0 GHAERN Cc1ccc(Cc2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)c(Br)c1 ZINC000333805451 902339566 /nfs/dbraw/zinc/33/95/66/902339566.db2.gz GYFJBDFIJKIHDJ-YJBOKZPZSA-N 0 0 392.297 3.657 10 0 GHAERN CCCCOc1ccccc1COC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000103675258 904498428 /nfs/dbraw/zinc/49/84/28/904498428.db2.gz FQHHMHUGRKXJLF-UHFFFAOYSA-N 0 0 376.474 3.767 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176075919 905747637 /nfs/dbraw/zinc/74/76/37/905747637.db2.gz NNRKHURQMVSWCR-SUMWQHHRSA-N 0 0 382.501 3.654 10 0 GHAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000177312743 906098014 /nfs/dbraw/zinc/09/80/14/906098014.db2.gz IHCRHRIGFISLDQ-CABCVRRESA-N 0 0 380.279 3.967 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1Nc1ccc(CC(N)=O)cc1 ZINC000177358367 906116245 /nfs/dbraw/zinc/11/62/45/906116245.db2.gz QMAITJCUSUUODU-CEXWTWQISA-N 0 0 387.524 3.695 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184140104 907524185 /nfs/dbraw/zinc/52/41/85/907524185.db2.gz WSZJWZVEAUFAHI-SFHVURJKSA-N 0 0 378.436 3.538 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cnn(Cc3ccccc3)c2)cs1 ZINC000186330360 907908831 /nfs/dbraw/zinc/90/88/31/907908831.db2.gz SBUUEIOLLQOZCX-IBGZPJMESA-N 0 0 381.505 3.743 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)cc2Cl)C1 ZINC000187254730 908062437 /nfs/dbraw/zinc/06/24/37/908062437.db2.gz ZYJZYKKSYDICBD-XJKSGUPXSA-N 0 0 394.859 3.813 10 0 GHAERN COc1ccc(CCNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000189405356 908317846 /nfs/dbraw/zinc/31/78/46/908317846.db2.gz CUKLGEVDHJSVIG-INIZCTEOSA-N 0 0 375.494 3.558 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000189417315 908318358 /nfs/dbraw/zinc/31/83/58/908318358.db2.gz CIIOKEXKMUMNQE-GXFFZTMASA-N 0 0 388.321 3.530 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2N2CCCCC2)cs1 ZINC000189446854 908324030 /nfs/dbraw/zinc/32/40/30/908324030.db2.gz PMODCDYVKXDVMA-IBGZPJMESA-N 0 0 398.532 3.744 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)Nc2nnc(C(C)C)s2)cs1 ZINC000190008441 908400868 /nfs/dbraw/zinc/40/08/68/908400868.db2.gz ATYJXGZLMOWLPG-ZDUSSCGKSA-N 0 0 393.538 3.509 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000190040126 908410170 /nfs/dbraw/zinc/41/01/70/908410170.db2.gz JVCFURPDJMQGRV-JCURWCKSSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000190113008 908428252 /nfs/dbraw/zinc/42/82/52/908428252.db2.gz LACGHYKWIYOURU-PWSUYJOCSA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)C1 ZINC000190127127 908432753 /nfs/dbraw/zinc/43/27/53/908432753.db2.gz CPFLYFYBWUNKFH-HZPDHXFCSA-N 0 0 399.476 3.804 10 0 GHAERN O=C(Nc1cccc(Cl)c1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000191717038 908664076 /nfs/dbraw/zinc/66/40/76/908664076.db2.gz SULNOLSQAOBZGL-NSHDSACASA-N 0 0 384.665 3.980 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC2(c3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184025558 1014570669 /nfs/dbraw/zinc/57/06/69/1014570669.db2.gz IKGBTRWRZCKNLL-OAQYLSRUSA-N 0 0 395.478 3.650 10 0 GHAERN CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000185253017 1014577519 /nfs/dbraw/zinc/57/75/19/1014577519.db2.gz WIWVTTVKQHZPIP-UZLBHIALSA-N 0 0 375.488 3.841 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2c2cccn2C)c2ccc(F)cc2C1 ZINC000185254064 1014577606 /nfs/dbraw/zinc/57/76/06/1014577606.db2.gz JSJLEPKRWGZNNO-CTNGQTDRSA-N 0 0 398.482 3.504 10 0 GHAERN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCCCCC2)cc1 ZINC000009301101 209136410 /nfs/dbraw/zinc/13/64/10/209136410.db2.gz LRKHLOVUYNSRNG-INIZCTEOSA-N 0 0 399.516 3.836 10 0 GHAERN O=C(CN1CCN(CCOc2ccccc2)CC1)c1csc2ccccc12 ZINC000090624564 206299120 /nfs/dbraw/zinc/29/91/20/206299120.db2.gz BLSSSDDUIFFGEJ-UHFFFAOYSA-N 0 0 380.513 3.781 10 0 GHAERN CCOC(=O)C(=Cc1cc2cc(OCC)ccc2nc1Cl)C(=O)OCC ZINC000032099782 206303380 /nfs/dbraw/zinc/30/33/80/206303380.db2.gz FSOOFRYYSOWZLE-UHFFFAOYSA-N 0 0 377.824 3.797 10 0 GHAERN Cc1c(C(=O)NCC(C)C)n(Cc2cccc(F)c2)c(C)c1N1CCOCC1 ZINC000006774786 206674433 /nfs/dbraw/zinc/67/44/33/206674433.db2.gz FSADBSUDMQXNGG-UHFFFAOYSA-N 0 0 387.499 3.515 10 0 GHAERN COc1cccc(-c2nc3c(c(SC)n2)Cc2c(CO)cnc(C)c2O3)c1 ZINC000006858349 206687014 /nfs/dbraw/zinc/68/70/14/206687014.db2.gz OWXWEBQPTAWOQM-UHFFFAOYSA-N 0 0 381.457 3.766 10 0 GHAERN COc1ccc(-c2cc(-c3ccco3)nc3ncnc(N)c32)c(OC)c1OC ZINC000009694591 206797225 /nfs/dbraw/zinc/79/72/25/206797225.db2.gz ZLEWHHSDZUOFGL-UHFFFAOYSA-N 0 0 378.388 3.560 10 0 GHAERN Cc1ccc(C(=O)NC[C@H]2Cc3cc(-c4cnccn4)cc(Cl)c3O2)s1 ZINC000012453462 206902827 /nfs/dbraw/zinc/90/28/27/206902827.db2.gz WGFAINDPCGLTSX-CQSZACIVSA-N 0 0 385.876 3.900 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 ZINC000015920761 207067985 /nfs/dbraw/zinc/06/79/85/207067985.db2.gz RMCRNDHNTDPWCG-NRFANRHFSA-N 0 0 377.444 3.667 10 0 GHAERN O=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 ZINC000019615734 207143320 /nfs/dbraw/zinc/14/33/20/207143320.db2.gz UTSUKWLFSFOVMB-UHFFFAOYSA-N 0 0 388.393 3.540 10 0 GHAERN Cc1c(N[C@H](C)c2ccc(Br)s2)cccc1S(N)(=O)=O ZINC000038003504 207249927 /nfs/dbraw/zinc/24/99/27/207249927.db2.gz OXIGBBXOKJGNOV-SECBINFHSA-N 0 0 375.313 3.640 10 0 GHAERN CCCNS(=O)(=O)c1ccccc1NCc1ccc(Br)s1 ZINC000038018846 207257435 /nfs/dbraw/zinc/25/74/35/207257435.db2.gz HZUZVWUNIIDOHP-UHFFFAOYSA-N 0 0 389.340 3.811 10 0 GHAERN COc1cc(/C=C\C(=O)Nc2nnc(CC(C)(C)C)s2)cc(OC)c1OC ZINC000035333737 207485838 /nfs/dbraw/zinc/48/58/38/207485838.db2.gz ROSVCDGXOHSIEE-FPLPWBNLSA-N 0 0 391.493 3.804 10 0 GHAERN Cc1nn(C)c2nc(OCC(=O)N[C@@H](C)c3ccccc3)cc(C(F)(F)F)c12 ZINC000045991468 207668132 /nfs/dbraw/zinc/66/81/32/207668132.db2.gz SFAGJRVNTWPKAT-NSHDSACASA-N 0 0 392.381 3.552 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091746 208154375 /nfs/dbraw/zinc/15/43/75/208154375.db2.gz LDJFPEUZILGJBH-OAHLLOKOSA-N 0 0 386.496 3.864 10 0 GHAERN C[C@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]([NH3+])CCC(=O)[O-] ZINC000095496374 208197438 /nfs/dbraw/zinc/19/74/38/208197438.db2.gz LYSYCJYHXQLCNW-HOTGVXAUSA-N 0 0 381.472 3.951 10 0 GHAERN COCCCNC(=O)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000096327399 208309019 /nfs/dbraw/zinc/30/90/19/208309019.db2.gz OPULGVMYUHFVTI-UHFFFAOYSA-N 0 0 381.407 3.841 10 0 GHAERN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026088298 208895142 /nfs/dbraw/zinc/89/51/42/208895142.db2.gz LXFMYJNYTQVXCT-WRQGHLQJSA-N 0 0 387.911 3.881 10 0 GHAERN CCOC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[nH]2)C1 ZINC000064611572 136157208 /nfs/dbraw/zinc/15/72/08/136157208.db2.gz DWEFNUQXNYNCRO-HNNXBMFYSA-N 0 0 397.500 3.740 10 0 GHAERN Cc1ccc(NC(=O)c2csc(-c3ccnc(N4CCOCC4)c3)n2)cc1F ZINC000065062598 136159086 /nfs/dbraw/zinc/15/90/86/136159086.db2.gz SACUUWRFIIEKOO-UHFFFAOYSA-N 0 0 398.463 3.742 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000085628259 136175275 /nfs/dbraw/zinc/17/52/75/136175275.db2.gz JJVQZFQLOWFFLR-CQSZACIVSA-N 0 0 396.878 3.740 10 0 GHAERN O=C(c1csc(N2CCN(c3ccccc3F)CC2)n1)N1CCCCCC1 ZINC000096386401 136186689 /nfs/dbraw/zinc/18/66/89/136186689.db2.gz CCXBLFJGLFWUFV-UHFFFAOYSA-N 0 0 388.512 3.625 10 0 GHAERN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000065179552 222107833 /nfs/dbraw/zinc/10/78/33/222107833.db2.gz OBJKNRHCURPHSR-MRXNPFEDSA-N 0 0 386.517 3.818 10 0 GHAERN COc1cccc(/C=C2\Sc3ccc(C(=O)NC4CC4)cc3N(C)C2=O)c1 ZINC000004932288 570373138 /nfs/dbraw/zinc/37/31/38/570373138.db2.gz IQYBLIQIENRIDJ-ODLFYWEKSA-N 0 0 380.469 3.697 10 0 GHAERN CC(C)(C)OC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103163 570540214 /nfs/dbraw/zinc/54/02/14/570540214.db2.gz NSHRNLZJVUZSOW-GOSISDBHSA-N 0 0 389.467 3.733 10 0 GHAERN COc1ccc(Cn2nnc3cc(C(=O)Nc4ccccc4OC)ccc32)cc1 ZINC000065030228 570651177 /nfs/dbraw/zinc/65/11/77/570651177.db2.gz JUYQKPXFGRDSIG-UHFFFAOYSA-N 0 0 388.427 3.749 10 0 GHAERN Cc1ccccc1CC(=O)N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209617 570731362 /nfs/dbraw/zinc/73/13/62/570731362.db2.gz VPBPSSROFIWGQA-NRFANRHFSA-N 0 0 390.487 3.817 10 0 GHAERN COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)cc1 ZINC000065274118 570776210 /nfs/dbraw/zinc/77/62/10/570776210.db2.gz YRFAQCPAFZOTSA-UHFFFAOYSA-N 0 0 395.507 3.695 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000105092575 837516539 /nfs/dbraw/zinc/51/65/39/837516539.db2.gz VGPMMNOWSUONHB-NRFANRHFSA-N 0 0 393.443 3.706 10 0 GHAERN CCc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000105689746 837582390 /nfs/dbraw/zinc/58/23/90/837582390.db2.gz RRZCIFOLNVEENY-WQIZZMQYSA-N 0 0 397.500 3.883 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000105995309 837673675 /nfs/dbraw/zinc/67/36/75/837673675.db2.gz WSBAWFFIUXNOGN-YGRLFVJLSA-N 0 0 398.315 3.932 10 0 GHAERN COc1ncnc2c1CN(C(=O)Nc1ccc(N3CCCC[C@H]3C)cc1C)CC2 ZINC000157678488 835034690 /nfs/dbraw/zinc/03/46/90/835034690.db2.gz MMDNBXIVUHKXNO-MRXNPFEDSA-N 0 0 395.507 3.763 10 0 GHAERN Cc1c(C(=O)NC2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccccc1C ZINC000157729001 835064304 /nfs/dbraw/zinc/06/43/04/835064304.db2.gz OZDIJCHCDCHGJP-UHFFFAOYSA-N 0 0 389.503 3.591 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3Br)CC2)nc1 ZINC000157903132 835144051 /nfs/dbraw/zinc/14/40/51/835144051.db2.gz IXLNXAABFZGBSC-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000158520571 835418953 /nfs/dbraw/zinc/41/89/53/835418953.db2.gz MNHVDWZSTQOHRS-MAUKXSAKSA-N 0 0 398.898 3.896 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000333133029 844054033 /nfs/dbraw/zinc/05/40/33/844054033.db2.gz BDSBFOLOHZIXAI-KURKYZTESA-N 0 0 399.535 3.716 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)C2)sc1C ZINC000329663256 835561870 /nfs/dbraw/zinc/56/18/70/835561870.db2.gz PDESIGMZCZNTSS-MOPGFXCFSA-N 0 0 397.544 3.515 10 0 GHAERN CCCc1csc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)n1 ZINC000187721593 835656957 /nfs/dbraw/zinc/65/69/57/835656957.db2.gz KPISJQWYCXGCRM-UHFFFAOYSA-N 0 0 388.541 3.672 10 0 GHAERN CCOc1cc(Cl)ccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000159008183 835688233 /nfs/dbraw/zinc/68/82/33/835688233.db2.gz ADWWIBRYKRBVDB-UHFFFAOYSA-N 0 0 376.888 3.959 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)CSc3nccn3C(C)(C)C)C2)n1 ZINC000329729937 835797387 /nfs/dbraw/zinc/79/73/87/835797387.db2.gz HTLZYHOEYBLYOV-AWEZNQCLSA-N 0 0 378.567 3.901 10 0 GHAERN CS[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000246059305 835965965 /nfs/dbraw/zinc/96/59/65/835965965.db2.gz YZMKYYTXXADSLH-XHSDSOJGSA-N 0 0 377.558 3.525 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759207 836560745 /nfs/dbraw/zinc/56/07/45/836560745.db2.gz OWRVSPPXDXQCGX-RBDMOPTHSA-N 0 0 395.503 3.654 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000332768450 836566814 /nfs/dbraw/zinc/56/68/14/836566814.db2.gz JGWBGLSAJMRCIU-HNBVOPMISA-N 0 0 391.556 3.889 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000113202492 836608345 /nfs/dbraw/zinc/60/83/45/836608345.db2.gz UNCORWCUZGVOTP-DOTOQJQBSA-N 0 0 391.581 3.887 10 0 GHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000408416733 844194497 /nfs/dbraw/zinc/19/44/97/844194497.db2.gz VFUXAFUFUCUVFU-IBGZPJMESA-N 0 0 395.528 3.510 10 0 GHAERN Cc1cnn([C@H]2CCN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)c1 ZINC000332865228 836827091 /nfs/dbraw/zinc/82/70/91/836827091.db2.gz SIWUUYODHZFOLI-HKUYNNGSSA-N 0 0 380.492 3.985 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cccc(NC(C)=O)c3C)C2)c1 ZINC000102527407 837092134 /nfs/dbraw/zinc/09/21/34/837092134.db2.gz ZINNPXZWCGAJNX-QGZVFWFLSA-N 0 0 396.491 3.610 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000408420294 844236180 /nfs/dbraw/zinc/23/61/80/844236180.db2.gz UPWDOIDHAZBJNJ-QUUYKZCZSA-N 0 0 377.641 3.931 10 0 GHAERN CC(=O)CCc1ccc(OCC(=O)N2CCC(c3nc(C)cs3)CC2)cc1 ZINC000102646009 837196687 /nfs/dbraw/zinc/19/66/87/837196687.db2.gz QCGXKTRTIMYGLZ-UHFFFAOYSA-N 0 0 386.517 3.758 10 0 GHAERN COc1cc(Br)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000408047320 837888736 /nfs/dbraw/zinc/88/87/36/837888736.db2.gz GGMGFBFZPYAECQ-PXAZEXFGSA-N 0 0 383.286 3.617 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Br)ccc2Cl)[nH]1 ZINC000407979591 838369921 /nfs/dbraw/zinc/36/99/21/838369921.db2.gz CLJBWUXPAIHEAR-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1ccccc1-n1nc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c2c1CCC2 ZINC000113887236 838422034 /nfs/dbraw/zinc/42/20/34/838422034.db2.gz ASDNUTMARNRBBP-LJQANCHMSA-N 0 0 375.476 3.760 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 ZINC000179393164 838541713 /nfs/dbraw/zinc/54/17/13/838541713.db2.gz AZFMIMALPVXXQZ-UHFFFAOYSA-N 0 0 380.492 3.800 10 0 GHAERN CCc1nc(C(=O)N2CCS[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000408063674 838544690 /nfs/dbraw/zinc/54/46/90/838544690.db2.gz WOFXTTACRHRGOF-JTQLQIEISA-N 0 0 385.320 3.714 10 0 GHAERN O=C(Nc1cc(F)ccc1O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000179648447 838553332 /nfs/dbraw/zinc/55/33/32/838553332.db2.gz OFHBRLSWEJIWNT-IYZRDUGGSA-N 0 0 386.467 3.677 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)C2)cn1 ZINC000116432608 839252628 /nfs/dbraw/zinc/25/26/28/839252628.db2.gz XNIMZJLMZHUJTK-BDJLRTHQSA-N 0 0 379.291 3.913 10 0 GHAERN Cn1c(SCC(=O)Nc2cc(F)cc(F)c2)nnc1-c1ccc(F)cc1 ZINC000002523732 839463595 /nfs/dbraw/zinc/46/35/95/839463595.db2.gz OBZDKDNEFQBEHR-UHFFFAOYSA-N 0 0 378.379 3.630 10 0 GHAERN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333255550 844444718 /nfs/dbraw/zinc/44/47/18/844444718.db2.gz SVTXNYNXHXVBQO-CNWOVPGOSA-N 0 0 397.519 3.831 10 0 GHAERN O=C(NCc1ccnc(OC2CCCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119159232 840052758 /nfs/dbraw/zinc/05/27/58/840052758.db2.gz AKOPXQUACZPMLF-GCJKJVERSA-N 0 0 387.524 3.630 10 0 GHAERN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)/C=C\c1ccncn1 ZINC000588393552 840403757 /nfs/dbraw/zinc/40/37/57/840403757.db2.gz YYTSVYXWJSDYPI-XQRVVYSFSA-N 0 0 393.274 3.674 10 0 GHAERN C[C@@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000109552746 840419195 /nfs/dbraw/zinc/41/91/95/840419195.db2.gz RZGWTPLFKCTLRK-LLVKDONJSA-N 0 0 391.349 3.897 10 0 GHAERN Cc1csc(C2CCN(S(=O)(=O)Cc3cccc4cccnc43)CC2)n1 ZINC000109844440 840588731 /nfs/dbraw/zinc/58/87/31/840588731.db2.gz LQZKOLVJCGLZND-UHFFFAOYSA-N 0 0 387.530 3.709 10 0 GHAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408128030 841070335 /nfs/dbraw/zinc/07/03/35/841070335.db2.gz HHWUOQDDTYCPSZ-UAGQMJEPSA-N 0 0 399.304 3.813 10 0 GHAERN CC(C)(c1nnc(NC(=O)N2CCN3CCCC[C@H]3C2)s1)c1ccccc1 ZINC000106948522 841155972 /nfs/dbraw/zinc/15/59/72/841155972.db2.gz SAGPFNAWSJDJLN-INIZCTEOSA-N 0 0 385.537 3.566 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120019148 841310668 /nfs/dbraw/zinc/31/06/68/841310668.db2.gz LZORMGOKWAUVIO-OPAMFIHVSA-N 0 0 382.508 3.657 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408175392 841743307 /nfs/dbraw/zinc/74/33/07/841743307.db2.gz YXSKJBUHRNWXHL-KURKYZTESA-N 0 0 395.341 3.983 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)C2)n1 ZINC000119247261 841883181 /nfs/dbraw/zinc/88/31/81/841883181.db2.gz KQJSHWKWAZRRSH-OXQOHEQNSA-N 0 0 385.487 3.533 10 0 GHAERN COC(=O)[C@@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccc2ccccc2c1 ZINC000588424304 841996607 /nfs/dbraw/zinc/99/66/07/841996607.db2.gz WLOATKBEAWDWJJ-NSDNCLLMSA-N 0 0 380.831 3.932 10 0 GHAERN Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987439 842228233 /nfs/dbraw/zinc/22/82/33/842228233.db2.gz PUNXAGJADJDKGZ-UHFFFAOYSA-N 0 0 395.503 3.905 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccnc(N3CCCC3)c2)C12CCCC2 ZINC000153233039 842322057 /nfs/dbraw/zinc/32/20/57/842322057.db2.gz QDCMDWLRUPWXTA-RTBURBONSA-N 0 0 386.540 3.561 10 0 GHAERN C[C@H]1CC(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000094069953 842423213 /nfs/dbraw/zinc/42/32/13/842423213.db2.gz KMXJRACKLOGTDV-GJZGRUSLSA-N 0 0 393.915 3.610 10 0 GHAERN Cc1c(Br)cccc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433956 842438137 /nfs/dbraw/zinc/43/81/37/842438137.db2.gz NRPCZIANEIGVNN-WAYWQWQTSA-N 0 0 383.286 3.568 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N[C@H](c1ccco1)c1ccccc1 ZINC000111784723 842553697 /nfs/dbraw/zinc/55/36/97/842553697.db2.gz LSKSSJSHLVUMNL-NRFANRHFSA-N 0 0 389.411 3.844 10 0 GHAERN COc1ccc(CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Br ZINC000127789312 842695672 /nfs/dbraw/zinc/69/56/72/842695672.db2.gz DBASZYQQCLZVOQ-KXBFYZLASA-N 0 0 396.325 3.544 10 0 GHAERN O=C(/C=C\c1ccncn1)NCCc1cccc(OCCCc2ccccc2)c1 ZINC000588438609 842732295 /nfs/dbraw/zinc/73/22/95/842732295.db2.gz MWRCDOQZTYJHBU-QXMHVHEDSA-N 0 0 387.483 3.860 10 0 GHAERN Cc1nc([C@H]2CCCCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)no1 ZINC000329373905 861345830 /nfs/dbraw/zinc/34/58/30/861345830.db2.gz KBYPWAXDIUDUEO-ZBFHGGJFSA-N 0 0 386.477 3.974 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 ZINC000162704449 842853186 /nfs/dbraw/zinc/85/31/86/842853186.db2.gz VJZFWZSBVBUFQV-UHFFFAOYSA-N 0 0 387.574 3.994 10 0 GHAERN COCCOc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000162543025 843271643 /nfs/dbraw/zinc/27/16/43/843271643.db2.gz HPFYTIYMNYRFNT-VFNWGFHPSA-N 0 0 396.491 3.587 10 0 GHAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 ZINC000408384868 843278501 /nfs/dbraw/zinc/27/85/01/843278501.db2.gz GWLKMEWNIOEJFU-QLFBSQMISA-N 0 0 389.521 3.539 10 0 GHAERN CCN(CC)c1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112394515 843348735 /nfs/dbraw/zinc/34/87/35/843348735.db2.gz INSTZTYHFLBVSL-UHFFFAOYSA-N 0 0 385.533 3.583 10 0 GHAERN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112352332 843352811 /nfs/dbraw/zinc/35/28/11/843352811.db2.gz WDZMTRVTPXFAOM-KRWDZBQOSA-N 0 0 385.533 3.540 10 0 GHAERN Cc1nc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2)cc(=O)[nH]1 ZINC000329437145 861423522 /nfs/dbraw/zinc/42/35/22/861423522.db2.gz JHDNYKBXGLNGQM-GOSISDBHSA-N 0 0 378.436 3.640 10 0 GHAERN Cn1c(CNC(=O)/C=C(\c2ccc(Cl)cc2)C(F)(F)F)nnc1C1CCC1 ZINC000588466544 843733879 /nfs/dbraw/zinc/73/38/79/843733879.db2.gz IVRVEBCUXQHNDF-NTEUORMPSA-N 0 0 398.816 3.998 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333041445 843880208 /nfs/dbraw/zinc/88/02/08/843880208.db2.gz ALYVRETXZVWQIW-MISMHTLLSA-N 0 0 376.522 3.615 10 0 GHAERN CC1(C)CCCCN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C1 ZINC000408442545 845326092 /nfs/dbraw/zinc/32/60/92/845326092.db2.gz LFYCXHBEYVYZCB-UHFFFAOYSA-N 0 0 389.565 3.849 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000248960642 845480777 /nfs/dbraw/zinc/48/07/77/845480777.db2.gz MOBBFPQDZJCWLC-FXUDXRNXSA-N 0 0 396.274 3.777 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000151739660 845637417 /nfs/dbraw/zinc/63/74/17/845637417.db2.gz LYMHYDJBNZFBGB-GDBMZVCRSA-N 0 0 388.489 3.509 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)ccc1OC(C)C ZINC000151837017 845856409 /nfs/dbraw/zinc/85/64/09/845856409.db2.gz USBXPPPDSXMOEB-QXLXQBSBSA-N 0 0 398.507 3.862 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000151869148 845921301 /nfs/dbraw/zinc/92/13/01/845921301.db2.gz SXBXTBZUSFCXSO-KRWDZBQOSA-N 0 0 387.867 3.685 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000104999902 845923793 /nfs/dbraw/zinc/92/37/93/845923793.db2.gz CKPAAIZURTXBJG-UHFFFAOYSA-N 0 0 380.492 3.769 10 0 GHAERN Cc1noc(C)c1-c1csc(=NCCc2ccccn2)n1Cc1cscn1 ZINC000588496839 846148446 /nfs/dbraw/zinc/14/84/46/846148446.db2.gz LXSLCZXLHHTEDU-UHFFFAOYSA-N 0 0 397.529 3.865 10 0 GHAERN O=C(NCc1csc(-c2ccco2)n1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119680702 846220397 /nfs/dbraw/zinc/22/03/97/846220397.db2.gz QCYLAWBAYUKFPW-VIFPVBQESA-N 0 0 396.394 3.566 10 0 GHAERN CC(C)C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152302318 846651135 /nfs/dbraw/zinc/65/11/35/846651135.db2.gz LLOVGRRARUQQTN-HOCLYGCPSA-N 0 0 384.517 3.900 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1OC ZINC000119721309 846787598 /nfs/dbraw/zinc/78/75/98/846787598.db2.gz KFVIQJKPJDISST-UHFFFAOYSA-N 0 0 383.423 3.739 10 0 GHAERN CC(=O)c1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1C ZINC000119867415 847395140 /nfs/dbraw/zinc/39/51/40/847395140.db2.gz BKIHEELEQINLLF-UHFFFAOYSA-N 0 0 385.489 3.639 10 0 GHAERN Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333630764 847584736 /nfs/dbraw/zinc/58/47/36/847584736.db2.gz GNNYJRQXSIAOMH-NCOADZHNSA-N 0 0 375.856 3.504 10 0 GHAERN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3c3nc(C)cs3)CC2=O)cc1 ZINC000329079792 847622072 /nfs/dbraw/zinc/62/20/72/847622072.db2.gz CEUDSNFUZGHOJH-CRAIPNDOSA-N 0 0 399.516 3.567 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)C[C@H]3Oc4ccccc4NC3=O)C2)sc1C ZINC000329625559 861814179 /nfs/dbraw/zinc/81/41/79/861814179.db2.gz SVTOVWLUZSMTER-RHSMWYFYSA-N 0 0 385.489 3.905 10 0 GHAERN CC1(C)CO[C@H](c2ccccc2)CN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000066897559 847974445 /nfs/dbraw/zinc/97/44/45/847974445.db2.gz DYLGUKCDKUTMJT-INIZCTEOSA-N 0 0 395.528 3.825 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329637443 861859777 /nfs/dbraw/zinc/85/97/77/861859777.db2.gz VQRRARODTXFEQG-CUWPLCDZSA-N 0 0 383.492 3.635 10 0 GHAERN CC(C)Cn1c(N2CCn3cnnc3[C@H]2C)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329648223 861897490 /nfs/dbraw/zinc/89/74/90/861897490.db2.gz JHPLKIXQBTWAIZ-NOCBQHASSA-N 0 0 395.555 3.575 10 0 GHAERN COCCOc1c(Cl)cccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000153763703 848991124 /nfs/dbraw/zinc/99/11/24/848991124.db2.gz ZJRTUVHBCMYBQK-QGZVFWFLSA-N 0 0 394.855 3.872 10 0 GHAERN C[C@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)c1cccc(N2CCCC2)c1 ZINC000153768573 848996529 /nfs/dbraw/zinc/99/65/29/848996529.db2.gz YIZLICUMAUPYLV-OXJNMPFZSA-N 0 0 392.503 3.773 10 0 GHAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246747341 849045933 /nfs/dbraw/zinc/04/59/33/849045933.db2.gz OZNGLIKTFOPJDZ-LJFZDNNRSA-N 0 0 390.531 3.615 10 0 GHAERN Cc1cc(Cl)c(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1Cl ZINC000154045618 849174588 /nfs/dbraw/zinc/17/45/88/849174588.db2.gz QOTWXQZKSHKCLT-UHFFFAOYSA-N 0 0 397.306 3.902 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1)C(C)C ZINC000154131787 849202919 /nfs/dbraw/zinc/20/29/19/849202919.db2.gz VOPJREZYVUTPDD-NRFANRHFSA-N 0 0 399.491 3.950 10 0 GHAERN C[C@@H](Cc1ccccc1Cl)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000154500685 849304355 /nfs/dbraw/zinc/30/43/55/849304355.db2.gz KZOXDPCCNXELPR-HNNXBMFYSA-N 0 0 390.936 3.955 10 0 GHAERN CC(C)c1cccc2c1CCN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C2 ZINC000588569553 849379652 /nfs/dbraw/zinc/37/96/52/849379652.db2.gz CXZSAXWXVOOKQI-XFXZXTDPSA-N 0 0 398.528 3.780 10 0 GHAERN CC(C)c1ccc(Cn2nccc2NC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000154852206 849390270 /nfs/dbraw/zinc/39/02/70/849390270.db2.gz ZEURFNKNKBCBIJ-UHFFFAOYSA-N 0 0 393.495 3.515 10 0 GHAERN O=C(C1CCN(Cc2nnc(-c3ccccc3)s2)CC1)N1CCCCCC1 ZINC000155081678 849449687 /nfs/dbraw/zinc/44/96/87/849449687.db2.gz FOOHNUXZKHQTGF-UHFFFAOYSA-N 0 0 384.549 3.820 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155937578 849704543 /nfs/dbraw/zinc/70/45/43/849704543.db2.gz NXBDVVAZHUOIFH-RIEGTJTDSA-N 0 0 378.341 3.779 10 0 GHAERN O=C(C[C@@H]1CCCC(=O)N1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000329681197 862049127 /nfs/dbraw/zinc/04/91/27/862049127.db2.gz YDISQXSAWXQDOT-HYFFOGBASA-N 0 0 394.475 3.516 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)no1 ZINC000170885592 851586122 /nfs/dbraw/zinc/58/61/22/851586122.db2.gz YEKRLKFVRKTQJL-WBVHZDCISA-N 0 0 382.508 3.982 10 0 GHAERN CCOCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000101851412 851937186 /nfs/dbraw/zinc/93/71/86/851937186.db2.gz WJAXZIJGOIVOPW-NEWSRXKRSA-N 0 0 392.927 3.656 10 0 GHAERN COc1ccccc1Oc1ccc(NC(=O)NCCc2nc(C)no2)cc1F ZINC000102033405 852102845 /nfs/dbraw/zinc/10/28/45/852102845.db2.gz ZNPWELDUDHPNFM-UHFFFAOYSA-N 0 0 386.383 3.682 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nnc(-c3cc4c(s3)CCCCC4)n2C)no1 ZINC000329807211 862334553 /nfs/dbraw/zinc/33/45/53/862334553.db2.gz BHTXYYUGMZIXBO-CQSZACIVSA-N 0 0 384.509 3.845 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3c2cccc3Br)cn1 ZINC000171370344 852625426 /nfs/dbraw/zinc/62/54/26/852625426.db2.gz SWKQOMCJTWKOQX-DLBZAZTESA-N 0 0 389.297 3.717 10 0 GHAERN O=C(Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1)N1CCc2ccccc21 ZINC000329939496 862440489 /nfs/dbraw/zinc/44/04/89/862440489.db2.gz TXBAAXILUMMODO-NQIIRXRSSA-N 0 0 375.472 3.835 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[nH]1 ZINC000328663832 854495166 /nfs/dbraw/zinc/49/51/66/854495166.db2.gz BFWKOXPRCKIZSM-PMPSAXMXSA-N 0 0 378.398 3.989 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)[nH]1 ZINC000328763033 854532398 /nfs/dbraw/zinc/53/23/98/854532398.db2.gz ZELJLTVVQULPGL-ZNMIVQPWSA-N 0 0 394.397 3.869 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000328950071 854614138 /nfs/dbraw/zinc/61/41/38/854614138.db2.gz NGXJGJHXTINFGV-ZCNNSNEGSA-N 0 0 394.519 3.689 10 0 GHAERN O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000165020935 862608174 /nfs/dbraw/zinc/60/81/74/862608174.db2.gz KJAORHDFBMHCOK-CHWSQXEVSA-N 0 0 375.270 3.899 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105712405 855136004 /nfs/dbraw/zinc/13/60/04/855136004.db2.gz KVLBMFJCGZIUBU-PFUSGODGSA-N 0 0 387.461 3.729 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC000105948994 855156373 /nfs/dbraw/zinc/15/63/73/855156373.db2.gz XIBBHBDCHRTMHY-UHFFFAOYSA-N 0 0 391.515 3.826 10 0 GHAERN COC(=O)CC[C@H](NC(=O)Cc1coc2cc(OC)ccc12)c1ccccc1 ZINC000105988896 855162229 /nfs/dbraw/zinc/16/22/29/855162229.db2.gz FPMRDDJIUJCYIC-IBGZPJMESA-N 0 0 381.428 3.795 10 0 GHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192478009 855814444 /nfs/dbraw/zinc/81/44/44/855814444.db2.gz XJYRAWUGCQNTLX-NSHDSACASA-N 0 0 377.286 3.896 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1-c1ncco1 ZINC000159467745 862738583 /nfs/dbraw/zinc/73/85/83/862738583.db2.gz XDBLKYGBNFVOKF-UHFFFAOYSA-N 0 0 379.464 3.870 10 0 GHAERN C[C@H](CC1CCCCC1)NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000194465635 856007717 /nfs/dbraw/zinc/00/77/17/856007717.db2.gz ZFZFOSSCWKTASD-KGLIPLIRSA-N 0 0 384.517 3.948 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000105003449 856460115 /nfs/dbraw/zinc/46/01/15/856460115.db2.gz LNMPLBLIOIVJAB-NRFANRHFSA-N 0 0 389.455 3.664 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)NCC2(c3ccc(F)cc3)CCC2)C12CCOCC2 ZINC000185977810 856475402 /nfs/dbraw/zinc/47/54/02/856475402.db2.gz KEVJJSCQGCLAOE-RTBURBONSA-N 0 0 390.499 3.521 10 0 GHAERN CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000043506495 856537546 /nfs/dbraw/zinc/53/75/46/856537546.db2.gz SWVBGBBKBLHTCO-HNNXBMFYSA-N 0 0 380.366 3.562 10 0 GHAERN C[C@H](C(=O)NC1CCC(C)CC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692168 856955334 /nfs/dbraw/zinc/95/53/34/856955334.db2.gz BOHOQIZBOUAEAL-JQCSJNMFSA-N 0 0 392.384 3.843 10 0 GHAERN CCOc1ccccc1CCC(=O)N[C@H](c1nccn1C)c1ccccc1OC ZINC000058411825 857295533 /nfs/dbraw/zinc/29/55/33/857295533.db2.gz OUHSFGQHZGLJOS-QFIPXVFZSA-N 0 0 393.487 3.666 10 0 GHAERN FC(F)(F)c1ccc(-c2nc(CN3CCN(Cc4ccon4)CC3)co2)cc1 ZINC000166113095 858443171 /nfs/dbraw/zinc/44/31/71/858443171.db2.gz PZVDHDPVEAQNDZ-UHFFFAOYSA-N 0 0 392.381 3.666 10 0 GHAERN C[C@H]1CCCN(c2cc(N3CCC[C@@H]3c3nc4c(n3C)CCCC4)ncn2)C1 ZINC000330346329 863030642 /nfs/dbraw/zinc/03/06/42/863030642.db2.gz GJROYXAJOOGXFL-QFBILLFUSA-N 0 0 380.540 3.667 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)C2)n1 ZINC000247426404 858718478 /nfs/dbraw/zinc/71/84/78/858718478.db2.gz VRIYKWRAFGTQQU-FSSWDIPSSA-N 0 0 395.551 3.728 10 0 GHAERN Cc1nc(S(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)n(C2CCCCC2)c1C ZINC000072055653 858788902 /nfs/dbraw/zinc/78/89/02/858788902.db2.gz KZALKBYXEMSXRM-GJZGRUSLSA-N 0 0 395.569 3.568 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)n1 ZINC000249208382 858973432 /nfs/dbraw/zinc/97/34/32/858973432.db2.gz CBBXZRRUZXASOH-UPJWGTAASA-N 0 0 377.432 3.656 10 0 GHAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000023763947 860303566 /nfs/dbraw/zinc/30/35/66/860303566.db2.gz XKZJYUNLZVNHCR-GTNSWQLSSA-N 0 0 376.428 3.987 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)C12CCCC2 ZINC000172637640 860435104 /nfs/dbraw/zinc/43/51/04/860435104.db2.gz LITSESBEKRCNMX-ROUUACIJSA-N 0 0 388.533 3.931 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000173075398 860435734 /nfs/dbraw/zinc/43/57/34/860435734.db2.gz RIUMOGALFMDTLU-WBVHZDCISA-N 0 0 377.554 3.633 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)C2)n1 ZINC000173064441 860435801 /nfs/dbraw/zinc/43/58/01/860435801.db2.gz YZEXUXKTCNZYPE-OALUTQOASA-N 0 0 397.544 3.515 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000102897812 860618208 /nfs/dbraw/zinc/61/82/08/860618208.db2.gz BSJLICWQYJKFCY-HNNXBMFYSA-N 0 0 391.265 3.887 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000102902069 860620089 /nfs/dbraw/zinc/62/00/89/860620089.db2.gz LKWRANATOFIJPI-OAQYLSRUSA-N 0 0 390.487 3.860 10 0 GHAERN C[C@@H](NC(=O)C(C)(C)c1cccc(Br)c1)C(=O)N1CCCC[C@@H]1C ZINC000102492282 860704082 /nfs/dbraw/zinc/70/40/82/860704082.db2.gz BNHFVJIDLSFPQH-UONOGXRCSA-N 0 0 395.341 3.632 10 0 GHAERN Cc1cc(C)n(-c2cccc(NC(=O)NCCCNC(=O)OC(C)(C)C)c2)n1 ZINC000103573770 881574812 /nfs/dbraw/zinc/57/48/12/881574812.db2.gz QMTCKXHJARJEGV-UHFFFAOYSA-N 0 0 387.484 3.525 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000102545632 860761770 /nfs/dbraw/zinc/76/17/70/860761770.db2.gz LHLVEUCUHRPRCK-GJZGRUSLSA-N 0 0 389.446 3.860 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc4oc(C)nc4c3)C2)c1 ZINC000102578280 860765641 /nfs/dbraw/zinc/76/56/41/860765641.db2.gz UXCHJCALKDNBAG-OAHLLOKOSA-N 0 0 380.448 3.793 10 0 GHAERN CC(C)OC[C@@H](O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000102656886 860811808 /nfs/dbraw/zinc/81/18/08/860811808.db2.gz WHXIDZGYUGRQAP-LLVKDONJSA-N 0 0 396.559 3.602 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000102999509 860891524 /nfs/dbraw/zinc/89/15/24/860891524.db2.gz BDIHOVSGQJILCE-KRWDZBQOSA-N 0 0 384.480 3.500 10 0 GHAERN Cc1sc2nc([C@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034807 860964708 /nfs/dbraw/zinc/96/47/08/860964708.db2.gz MOBZLPPJTDEJIL-GWCFXTLKSA-N 0 0 385.493 3.825 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H]1CCOc3ccccc31)CC2 ZINC000176895887 863258301 /nfs/dbraw/zinc/25/83/01/863258301.db2.gz WTYXTMAEZBHSTR-WBMJQRKESA-N 0 0 391.393 3.549 10 0 GHAERN Cc1c(C(=O)NCCCCOCc2ccccc2)nnn1-c1ccccc1Cl ZINC000103388771 864005177 /nfs/dbraw/zinc/00/51/77/864005177.db2.gz JPMAWVZPTDTXNW-UHFFFAOYSA-N 0 0 398.894 3.956 10 0 GHAERN Cc1cccc(-c2noc(CS(=O)(=O)c3nccn3-c3cccc(C)c3)n2)c1 ZINC000103620886 864048608 /nfs/dbraw/zinc/04/86/08/864048608.db2.gz SDNWFADFVFFGDR-UHFFFAOYSA-N 0 0 394.456 3.513 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(-n2cnnn2)cc1Cl ZINC000103790833 864057283 /nfs/dbraw/zinc/05/72/83/864057283.db2.gz DHWJQMAUQXEROO-UHFFFAOYSA-N 0 0 385.708 3.726 10 0 GHAERN CC(=O)N[C@H](CC(=O)N(Cc1ccco1)Cc1ccc(O)cc1)c1ccccc1 ZINC000104116842 864153615 /nfs/dbraw/zinc/15/36/15/864153615.db2.gz BLWWOZPVTDLIRM-JOCHJYFZSA-N 0 0 392.455 3.782 10 0 GHAERN CCS(=O)(=O)N(Cc1cc(F)cc2cccnc21)c1ccc(C(C)=O)cc1 ZINC000104055053 864167509 /nfs/dbraw/zinc/16/75/09/864167509.db2.gz YBNXMWJWPOFBHX-UHFFFAOYSA-N 0 0 386.448 3.933 10 0 GHAERN O=C(Nc1ccccc1N1CCC(O)CC1)c1ccc(-n2cccc2)c(F)c1 ZINC000104288137 864241218 /nfs/dbraw/zinc/24/12/18/864241218.db2.gz WQFMKFYDRXOQKD-UHFFFAOYSA-N 0 0 379.435 3.830 10 0 GHAERN CCCC(=O)NCC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000104431341 864323710 /nfs/dbraw/zinc/32/37/10/864323710.db2.gz SOLONZGTTIOIPT-UHFFFAOYSA-N 0 0 381.354 3.748 10 0 GHAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333016955 864616960 /nfs/dbraw/zinc/61/69/60/864616960.db2.gz YOEFDOFPMZYKKL-FYZZASKESA-N 0 0 389.588 3.659 10 0 GHAERN CC(C)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c2cnn(C(C)C)c2n1 ZINC000104858131 864669728 /nfs/dbraw/zinc/66/97/28/864669728.db2.gz PLIGSRGUFGEKPB-OAHLLOKOSA-N 0 0 394.475 3.705 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000104997475 864794042 /nfs/dbraw/zinc/79/40/42/864794042.db2.gz ONHOFNUEFVJPCR-UHFFFAOYSA-N 0 0 383.492 3.547 10 0 GHAERN Cc1nc(-c2ccc(N3CCC(c4noc(C5CC5)n4)CC3)nc2)[nH]c(=O)c1C ZINC000302164100 865743044 /nfs/dbraw/zinc/74/30/44/865743044.db2.gz IMRUMSVJSGEGIJ-UHFFFAOYSA-N 0 0 392.463 3.505 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102238841 881946493 /nfs/dbraw/zinc/94/64/93/881946493.db2.gz LDDRQECZXZMHHG-UHFFFAOYSA-N 0 0 384.432 3.993 10 0 GHAERN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N[C@H]1CCCC[C@H]1O ZINC000248770548 866468076 /nfs/dbraw/zinc/46/80/76/866468076.db2.gz YBFKKHAAASQIDI-ARFHVFGLSA-N 0 0 389.496 3.929 10 0 GHAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000112713986 866738849 /nfs/dbraw/zinc/73/88/49/866738849.db2.gz VYRZBJDFHKMGRQ-INIZCTEOSA-N 0 0 389.931 3.535 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)n1 ZINC000113201460 866751218 /nfs/dbraw/zinc/75/12/18/866751218.db2.gz IKXRRCJEVJRFDE-HZPDHXFCSA-N 0 0 391.581 3.696 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113887410 866760438 /nfs/dbraw/zinc/76/04/38/866760438.db2.gz PUCSDTSVGICBFI-KRWDZBQOSA-N 0 0 379.439 3.591 10 0 GHAERN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000170632400 882042928 /nfs/dbraw/zinc/04/29/28/882042928.db2.gz DPPDZXVWVILHLE-UHFFFAOYSA-N 0 0 392.444 3.605 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)CC2)n1 ZINC000171221131 882088557 /nfs/dbraw/zinc/08/85/57/882088557.db2.gz YJTAILUMXDBYHG-UHFFFAOYSA-N 0 0 392.546 3.653 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc(Br)cc3O)CC2)n1 ZINC000171274736 882093002 /nfs/dbraw/zinc/09/30/02/882093002.db2.gz XLVWAIUHKMEEQS-UHFFFAOYSA-N 0 0 381.295 3.939 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000171384927 882104027 /nfs/dbraw/zinc/10/40/27/882104027.db2.gz YGRLEFUNBRJFFJ-GOSISDBHSA-N 0 0 399.516 3.865 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1)c1cccnc1 ZINC000171643590 882120079 /nfs/dbraw/zinc/12/00/79/882120079.db2.gz DSVLOZICFZYIIO-KRWDZBQOSA-N 0 0 392.484 3.810 10 0 GHAERN O=C(c1ccccc1I)N1CCC[C@H](c2nccs2)C1 ZINC000171646828 882121365 /nfs/dbraw/zinc/12/13/65/882121365.db2.gz UOHAGQLPMLXLFO-NSHDSACASA-N 0 0 398.269 3.768 10 0 GHAERN O=C(c1cccc(I)c1)N1CCC[C@H](c2nccs2)C1 ZINC000171646040 882121790 /nfs/dbraw/zinc/12/17/90/882121790.db2.gz FRIKYWFYVCXJTP-LBPRGKRZSA-N 0 0 398.269 3.768 10 0 GHAERN O=C(Oc1ccccc1OC(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000171666238 882121969 /nfs/dbraw/zinc/12/19/69/882121969.db2.gz MYUGCLCMVYZHQI-UHFFFAOYSA-N 0 0 381.400 3.807 10 0 GHAERN CCC(CC)(NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000171421101 882124935 /nfs/dbraw/zinc/12/49/35/882124935.db2.gz CKHQIAGHOWIRLB-UHFFFAOYSA-N 0 0 398.898 3.830 10 0 GHAERN O=C(c1cccs1)N1CCCN(C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829650 882164439 /nfs/dbraw/zinc/16/44/39/882164439.db2.gz KPZYPDIWPGDOMI-MRXNPFEDSA-N 0 0 398.450 3.648 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)no1 ZINC000173823300 869149927 /nfs/dbraw/zinc/14/99/27/869149927.db2.gz BYVQHZJRFAOZIA-KRWDZBQOSA-N 0 0 375.494 3.598 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000172639213 882281411 /nfs/dbraw/zinc/28/14/11/882281411.db2.gz NUHAOHHYWIOKMK-MRXNPFEDSA-N 0 0 381.451 3.541 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1cc2ccccc2o1 ZINC000172698953 882286438 /nfs/dbraw/zinc/28/64/38/882286438.db2.gz YVVJLKUDMYFNNC-YJBOKZPZSA-N 0 0 377.444 3.700 10 0 GHAERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)NCc2cccnc2-n2cncn2)cc1 ZINC000172540384 882293961 /nfs/dbraw/zinc/29/39/61/882293961.db2.gz SYZKOKBCLMMAKN-XLIONFOSSA-N 0 0 390.491 3.654 10 0 GHAERN O=Cc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)cc1 ZINC000172870450 882315815 /nfs/dbraw/zinc/31/58/15/882315815.db2.gz BHSKVZVUYDBJJN-UHFFFAOYSA-N 0 0 390.483 3.543 10 0 GHAERN CCOc1ccccc1[C@@H](CC)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172934482 882324998 /nfs/dbraw/zinc/32/49/98/882324998.db2.gz KYFDXLYYWCQLTF-LJQANCHMSA-N 0 0 395.503 3.600 10 0 GHAERN Cn1c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1-c1ccccc1 ZINC000172976549 882327571 /nfs/dbraw/zinc/32/75/71/882327571.db2.gz KNTOBTMDVHPQHE-UHFFFAOYSA-N 0 0 393.531 3.947 10 0 GHAERN COc1cc(C(=O)N2CC=C(c3cccs3)CC2)cc(NC(C)=O)c1OC ZINC000173567762 882380704 /nfs/dbraw/zinc/38/07/04/882380704.db2.gz IBBWVRKMPHXZSS-UHFFFAOYSA-N 0 0 386.473 3.653 10 0 GHAERN Cc1nc(CN2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)oc1C ZINC000173669311 882390436 /nfs/dbraw/zinc/39/04/36/882390436.db2.gz GBHQJOPYSFJCPI-UHFFFAOYSA-N 0 0 386.883 3.918 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(C3CC3)s2)cc1 ZINC000173937797 882395819 /nfs/dbraw/zinc/39/58/19/882395819.db2.gz GTVKDMWKYITKLX-OAHLLOKOSA-N 0 0 375.519 3.880 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2nc(C(C)C)no2)cc1 ZINC000173778287 882403321 /nfs/dbraw/zinc/40/33/21/882403321.db2.gz ILBXSHKPWBFGHC-INIZCTEOSA-N 0 0 375.494 3.799 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000192365206 870411165 /nfs/dbraw/zinc/41/11/65/870411165.db2.gz PWZBEBVPVXZQDR-MURWCNHISA-N 0 0 399.278 3.917 10 0 GHAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c12 ZINC000046489724 870434348 /nfs/dbraw/zinc/43/43/48/870434348.db2.gz VNRZIEJCDGXOMT-SJORKVTESA-N 0 0 396.516 3.789 10 0 GHAERN CNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1Cl ZINC000114811033 870635008 /nfs/dbraw/zinc/63/50/08/870635008.db2.gz SGQDCHRVNNWYEG-NSHDSACASA-N 0 0 378.885 3.568 10 0 GHAERN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2ccc(F)c(C)c2)cc1OC ZINC000103099835 871271482 /nfs/dbraw/zinc/27/14/82/871271482.db2.gz LNAARGHYHBSERQ-BXUZGUMPSA-N 0 0 386.423 3.998 10 0 GHAERN O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035188 882518194 /nfs/dbraw/zinc/51/81/94/882518194.db2.gz QNQKYUVQQLYZBR-RDGATRHJSA-N 0 0 394.559 3.922 10 0 GHAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035291 882518747 /nfs/dbraw/zinc/51/87/47/882518747.db2.gz NGDBMYZTCLUVOD-URXFXBBRSA-N 0 0 380.532 3.532 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093385821 882524296 /nfs/dbraw/zinc/52/42/96/882524296.db2.gz CCZXOEILUVFVMC-UHFFFAOYSA-N 0 0 384.480 3.625 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(CC2CCC2)c2ccccc2)CC1 ZINC000175396682 882550338 /nfs/dbraw/zinc/55/03/38/882550338.db2.gz KHVQYVKGUDVDOL-UHFFFAOYSA-N 0 0 377.488 3.767 10 0 GHAERN O=C(c1cc(F)c(Cl)nc1Cl)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000103374561 871854599 /nfs/dbraw/zinc/85/45/99/871854599.db2.gz WZRQVBQHALVQNI-VHSXEESVSA-N 0 0 379.284 3.654 10 0 GHAERN COc1ccc(CN(C(=O)NC2CCN(c3ccc(C)cn3)CC2)C2CC2)cc1 ZINC000175279911 882564596 /nfs/dbraw/zinc/56/45/96/882564596.db2.gz ISHCWCWEWZIEGX-UHFFFAOYSA-N 0 0 394.519 3.742 10 0 GHAERN CC(C)n1c(N(C)C)nn(CN2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000103457907 872013940 /nfs/dbraw/zinc/01/39/40/872013940.db2.gz VYBAYYUTMOIODV-QGZVFWFLSA-N 0 0 377.533 3.865 10 0 GHAERN O=C(CNC(=O)c1ccc2nc(Cl)ccc2c1)Nc1cccc2cccnc21 ZINC000101672396 872179096 /nfs/dbraw/zinc/17/90/96/872179096.db2.gz AQZJHYKQRVKSQN-UHFFFAOYSA-N 0 0 390.830 3.805 10 0 GHAERN Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000150795696 872323360 /nfs/dbraw/zinc/32/33/60/872323360.db2.gz KFYKZCODCWZGEX-INIZCTEOSA-N 0 0 377.554 3.872 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCc3cccc(F)c3F)C2)o1 ZINC000102141712 872637043 /nfs/dbraw/zinc/63/70/43/872637043.db2.gz UBRPSGFAWXQZDH-HNNXBMFYSA-N 0 0 391.414 3.894 10 0 GHAERN COc1ccc(CCCC(=O)OCCCc2cnc3c(C)c(C)nn3c2)cc1 ZINC000102191973 872712665 /nfs/dbraw/zinc/71/26/65/872712665.db2.gz FFBNCMRNHDXVSM-UHFFFAOYSA-N 0 0 381.476 3.853 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1 ZINC000176004871 882656309 /nfs/dbraw/zinc/65/63/09/882656309.db2.gz SVGVVIMPNOYAOW-RJGXRXQPSA-N 0 0 383.580 3.542 10 0 GHAERN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102320124 872933219 /nfs/dbraw/zinc/93/32/19/872933219.db2.gz GONQMYCWHZOGCI-UHFFFAOYSA-N 0 0 392.440 3.926 10 0 GHAERN COCc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)o1 ZINC000102342528 872941721 /nfs/dbraw/zinc/94/17/21/872941721.db2.gz ALKBDGGRCROJPW-UHFFFAOYSA-N 0 0 385.807 3.979 10 0 GHAERN Cn1c2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc2oc1=O ZINC000102374820 872982818 /nfs/dbraw/zinc/98/28/18/872982818.db2.gz YEBOJHJNSBAGQG-UHFFFAOYSA-N 0 0 387.395 3.636 10 0 GHAERN CCCc1c(C(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000116244638 873365865 /nfs/dbraw/zinc/36/58/65/873365865.db2.gz CBIOVHNEIKKBNV-YWZLYKJASA-N 0 0 396.535 3.514 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)n(C)n1 ZINC000102744257 873525028 /nfs/dbraw/zinc/52/50/28/873525028.db2.gz IGLSHRLBUQATRS-CHWSQXEVSA-N 0 0 396.413 3.613 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N[C@@H](C)C(C)(C)c3ccccc3)c(=O)[nH]c21 ZINC000102758210 873534773 /nfs/dbraw/zinc/53/47/73/873534773.db2.gz KYBQDHVRCUPEJQ-PCUGXKRQSA-N 0 0 392.503 3.801 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCCc4cc(OC(F)F)ccc43)C2)cn1 ZINC000116539860 873566308 /nfs/dbraw/zinc/56/63/08/873566308.db2.gz QUYPZDPDPGARFX-KSSFIOAISA-N 0 0 390.434 3.598 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116668787 873614100 /nfs/dbraw/zinc/61/41/00/873614100.db2.gz XHKAXFWGNKZCPU-UHFFFAOYSA-N 0 0 397.567 3.577 10 0 GHAERN C[C@H](NC(=O)N1CCN(Cc2ccon2)CC1)c1cccc(Cl)c1Cl ZINC000176871682 882745761 /nfs/dbraw/zinc/74/57/61/882745761.db2.gz JDZNVFCSCWMMOX-LBPRGKRZSA-N 0 0 383.279 3.570 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)Cc3sc(=S)[nH]c3C)n2)c1 ZINC000102941645 873904583 /nfs/dbraw/zinc/90/45/83/873904583.db2.gz OYUBDPSVMAXOGG-UHFFFAOYSA-N 0 0 378.504 3.822 10 0 GHAERN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000117824604 874221059 /nfs/dbraw/zinc/22/10/59/874221059.db2.gz RCKHNBSKDQPETQ-QFIPXVFZSA-N 0 0 391.515 3.852 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CC=C(c2cccs2)CC1 ZINC000117896205 874230889 /nfs/dbraw/zinc/23/08/89/874230889.db2.gz OMQGOBYUCRJRBL-CQSZACIVSA-N 0 0 399.516 3.831 10 0 GHAERN Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3nccs3)C2)c2cccnc2c1C ZINC000177509602 882808137 /nfs/dbraw/zinc/80/81/37/882808137.db2.gz MBVLIOBWPBSZND-HNNXBMFYSA-N 0 0 394.500 3.653 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1Cl ZINC000118562484 874559634 /nfs/dbraw/zinc/55/96/34/874559634.db2.gz RYHJUHOEFFWCAM-LLVKDONJSA-N 0 0 379.869 3.995 10 0 GHAERN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@H](c4nccs4)C3)n[nH]2)cc1 ZINC000178022161 882857256 /nfs/dbraw/zinc/85/72/56/882857256.db2.gz JUMMGAUZECNPQI-HNNXBMFYSA-N 0 0 399.545 3.735 10 0 GHAERN Cc1ccc(N2C[C@H](C(=O)N(Cc3cccs3)C[C@H]3CCCO3)CC2=O)cc1 ZINC000104919628 874849306 /nfs/dbraw/zinc/84/93/06/874849306.db2.gz FTMZYPKKUMSQMB-IEBWSBKVSA-N 0 0 398.528 3.617 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C/C(=O)NCC(=O)NCc1ccco1 ZINC000105120728 875084782 /nfs/dbraw/zinc/08/47/82/875084782.db2.gz IBEMGWMFIYMMEM-VAWYXSNFSA-N 0 0 380.444 3.814 10 0 GHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000119340934 875127159 /nfs/dbraw/zinc/12/71/59/875127159.db2.gz FTWJNMCIABDSMQ-UHFFFAOYSA-N 0 0 383.395 3.545 10 0 GHAERN Cc1nc(-c2ccccc2)c(C(=O)N2CCC(Cc3nccn3C)CC2)s1 ZINC000178541563 882901570 /nfs/dbraw/zinc/90/15/70/882901570.db2.gz LUAPILXLFHLOLD-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000105598321 875341904 /nfs/dbraw/zinc/34/19/04/875341904.db2.gz MYWHKBBWJDREPU-KRWDZBQOSA-N 0 0 384.501 3.740 10 0 GHAERN O=C(Nc1ccc(-n2cnnn2)cc1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000153943431 875620494 /nfs/dbraw/zinc/62/04/94/875620494.db2.gz MUGCKLCOIDAGMZ-GOSISDBHSA-N 0 0 390.447 3.620 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)n1 ZINC000120182634 875627764 /nfs/dbraw/zinc/62/77/64/875627764.db2.gz XJBIABYSEWHJGS-HXUWFJFHSA-N 0 0 377.435 3.865 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@H](CC1CCCC1)c1ccccc1 ZINC000179106074 882971991 /nfs/dbraw/zinc/97/19/91/882971991.db2.gz MIXZEICYGMPEIW-HXUWFJFHSA-N 0 0 390.491 3.783 10 0 GHAERN Cn1cnnc1[C@H]1CCCN1C(=O)/C=C/c1ccc(SC(F)(F)F)cc1 ZINC000120977686 876382423 /nfs/dbraw/zinc/38/24/23/876382423.db2.gz FQLVSDFSIHUDBO-VIIAAUOXSA-N 0 0 382.411 3.804 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000179785643 883027349 /nfs/dbraw/zinc/02/73/49/883027349.db2.gz HCFMQNGVSGELRY-OALUTQOASA-N 0 0 377.444 3.914 10 0 GHAERN Cc1nc([C@H](NC2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2)n[nH]1 ZINC000180414527 883057182 /nfs/dbraw/zinc/05/71/82/883057182.db2.gz ZBAISZNNTBXTKG-DAWZGUTISA-N 0 0 385.512 3.628 10 0 GHAERN CCCc1csc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000180631100 883088959 /nfs/dbraw/zinc/08/89/59/883088959.db2.gz BXNZTZYFAUWSLB-UHFFFAOYSA-N 0 0 378.523 3.537 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@H](CC1CCC1)c1ccccc1 ZINC000180733225 883097098 /nfs/dbraw/zinc/09/70/98/883097098.db2.gz YYKCOJFVXNUKSN-LJQANCHMSA-N 0 0 390.443 3.723 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(NC(=O)NC(C)C)cc3)CC2)nc1 ZINC000180864576 883105230 /nfs/dbraw/zinc/10/52/30/883105230.db2.gz YWKRMFXRJQOIKQ-UHFFFAOYSA-N 0 0 396.491 3.604 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1c(Cl)cccc1Cl ZINC000180905027 883108069 /nfs/dbraw/zinc/10/80/69/883108069.db2.gz XPPGHGLKSGUIKO-UHFFFAOYSA-N 0 0 392.286 3.904 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)n1 ZINC000121538682 877306615 /nfs/dbraw/zinc/30/66/15/877306615.db2.gz ZVWZBFOQRFRKNM-INIZCTEOSA-N 0 0 395.431 3.755 10 0 GHAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000004308990 877672618 /nfs/dbraw/zinc/67/26/18/877672618.db2.gz ZMSJANXUONKOAW-DGGJZMOXSA-N 0 0 399.535 3.563 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCCc3ccc4c(c3)CC(=O)N4)C2)cc1 ZINC000121879993 877919996 /nfs/dbraw/zinc/91/99/96/877919996.db2.gz XOAAHBNGTMCKLV-JXFKEZNVSA-N 0 0 392.499 3.917 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)CC1 ZINC000121907656 878033834 /nfs/dbraw/zinc/03/38/34/878033834.db2.gz KVCZOIFAAGRANF-UHFFFAOYSA-N 0 0 383.883 3.559 10 0 GHAERN Cc1ccc(NC(=O)CCNC(=O)c2cc(-c3ccccn3)ccc2Cl)nc1 ZINC000122088034 878256650 /nfs/dbraw/zinc/25/66/50/878256650.db2.gz SIQIDRDQQRPCLH-UHFFFAOYSA-N 0 0 394.862 3.864 10 0 GHAERN Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1C ZINC000003454954 879013498 /nfs/dbraw/zinc/01/34/98/879013498.db2.gz MHZMPXZAENFHPB-UHFFFAOYSA-N 0 0 396.512 3.679 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000122751557 879397883 /nfs/dbraw/zinc/39/78/83/879397883.db2.gz PSELOIKEPIQNJT-HNAYVOBHSA-N 0 0 378.472 3.606 10 0 GHAERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1cscn1 ZINC000123272466 880174183 /nfs/dbraw/zinc/17/41/83/880174183.db2.gz JMFKZZOHNOWRHT-IAQYHMDHSA-N 0 0 396.310 3.577 10 0 GHAERN C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O ZINC000103501436 881270997 /nfs/dbraw/zinc/27/09/97/881270997.db2.gz NHFMRLMDUQQCAP-MAUKXSAKSA-N 0 0 397.233 3.633 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000181046700 883118825 /nfs/dbraw/zinc/11/88/25/883118825.db2.gz KQLSUZCOXKSQIK-UHFFFAOYSA-N 0 0 384.848 3.766 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCO1 ZINC000181212321 883128076 /nfs/dbraw/zinc/12/80/76/883128076.db2.gz IIBGFOXHWAMXCI-PMACEKPBSA-N 0 0 388.556 3.642 10 0 GHAERN COc1cccc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1OC(F)F ZINC000181563331 883164114 /nfs/dbraw/zinc/16/41/14/883164114.db2.gz BXCSKAZFRGRPOI-UHFFFAOYSA-N 0 0 392.402 3.684 10 0 GHAERN Cc1cc(C)c(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c(Cl)n1 ZINC000182045526 883202200 /nfs/dbraw/zinc/20/22/00/883202200.db2.gz MZSSHCOPYUHUIN-UHFFFAOYSA-N 0 0 385.895 3.634 10 0 GHAERN COc1cc(/C=C/C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)cc(OC)c1OC ZINC000182105075 883205170 /nfs/dbraw/zinc/20/51/70/883205170.db2.gz YXYRCTAAPGMTEO-ZIEDNJRCSA-N 0 0 382.460 3.730 10 0 GHAERN CC(C)(C)Sc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccn1 ZINC000182625886 883229597 /nfs/dbraw/zinc/22/95/97/883229597.db2.gz FBYZVKPEAMJFRG-DOTOQJQBSA-N 0 0 387.549 3.588 10 0 GHAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000183348521 883262166 /nfs/dbraw/zinc/26/21/66/883262166.db2.gz LJSOFWWKBYEARQ-UHFFFAOYSA-N 0 0 384.377 3.691 10 0 GHAERN Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]([C@@H](O)c4nccn4C)C3)s2)o1 ZINC000183293599 883277563 /nfs/dbraw/zinc/27/75/63/883277563.db2.gz LZDADVFCKLDLAY-KBXCAEBGSA-N 0 0 385.489 3.636 10 0 GHAERN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1ncc(-c2ccccc2)cn1 ZINC000183905264 883309575 /nfs/dbraw/zinc/30/95/75/883309575.db2.gz HRGITNOYSCFTJC-JLHYYAGUSA-N 0 0 398.466 3.600 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2csc(CC(C)C)n2)c2ccc(F)cc2C1 ZINC000184112265 883320972 /nfs/dbraw/zinc/32/09/72/883320972.db2.gz IDGBPCDWVKTLFU-QGZVFWFLSA-N 0 0 389.496 3.704 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc3ncccc32)c2ccc(F)cc2C1 ZINC000184160904 883325660 /nfs/dbraw/zinc/32/56/60/883325660.db2.gz KXBFYURTOMARMP-OAQYLSRUSA-N 0 0 377.419 3.597 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000184050495 883331360 /nfs/dbraw/zinc/33/13/60/883331360.db2.gz BJISEWCNLZYYFB-INIZCTEOSA-N 0 0 392.839 3.942 10 0 GHAERN CC[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184705808 883380373 /nfs/dbraw/zinc/38/03/73/883380373.db2.gz MFDYPHSLLVMGIJ-ICSRJNTNSA-N 0 0 378.557 3.613 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000184857409 883386342 /nfs/dbraw/zinc/38/63/42/883386342.db2.gz FIJSGZXIAMQYLU-LIRRHRJNSA-N 0 0 386.448 3.545 10 0 GHAERN C[C@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1cn(C)c2ccccc12 ZINC000184964062 883407614 /nfs/dbraw/zinc/40/76/14/883407614.db2.gz UXUAICWFYFSGHZ-SFHVURJKSA-N 0 0 395.547 3.923 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000185191521 883414484 /nfs/dbraw/zinc/41/44/84/883414484.db2.gz NPCMDUUWVRPDCO-HXUWFJFHSA-N 0 0 396.468 3.639 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cccc3[nH]ccc32)c2ccc(F)cc2C1 ZINC000185293514 883432695 /nfs/dbraw/zinc/43/26/95/883432695.db2.gz JVRUBWZDTNLHII-FQEVSTJZSA-N 0 0 380.423 3.922 10 0 GHAERN CC(=O)N1CC[C@@H](NCc2ccn(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185360166 883440979 /nfs/dbraw/zinc/44/09/79/883440979.db2.gz FJIOZUGSKUUSGA-JOCHJYFZSA-N 0 0 378.451 3.595 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185419288 883455890 /nfs/dbraw/zinc/45/58/90/883455890.db2.gz NAFRULYQAQPHRI-CYBMUJFWSA-N 0 0 399.397 3.640 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185500203 883463022 /nfs/dbraw/zinc/46/30/22/883463022.db2.gz XVMCDAPWSYRRSI-OAQYLSRUSA-N 0 0 384.451 3.594 10 0 GHAERN COc1ccccc1CCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102548843 883542067 /nfs/dbraw/zinc/54/20/67/883542067.db2.gz ZSSFCNNSFDPSIW-UHFFFAOYSA-N 0 0 383.423 3.574 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2cccc(OC(C)C)c2)c2ccc(F)cc2C1 ZINC000185520456 883550343 /nfs/dbraw/zinc/55/03/43/883550343.db2.gz PHFIAPKPQLFNIT-JOCHJYFZSA-N 0 0 398.478 3.765 10 0 GHAERN CCCc1nc(C)c(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185543021 883554422 /nfs/dbraw/zinc/55/44/22/883554422.db2.gz DKZOITRNDVOMOX-QGZVFWFLSA-N 0 0 389.496 3.766 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCCOc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185549703 883555906 /nfs/dbraw/zinc/55/59/06/883555906.db2.gz JYSIAHLVNGUDBS-QFIPXVFZSA-N 0 0 398.478 3.903 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000185554973 883555944 /nfs/dbraw/zinc/55/59/44/883555944.db2.gz CTALBGVRVAUCGF-HXUWFJFHSA-N 0 0 390.405 3.646 10 0 GHAERN CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559207 883556843 /nfs/dbraw/zinc/55/68/43/883556843.db2.gz HBHUEZZICXKEEG-RTWAWAEBSA-N 0 0 398.478 3.901 10 0 GHAERN Cc1oc2ccccc2c1CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000185598696 883560829 /nfs/dbraw/zinc/56/08/29/883560829.db2.gz PBEHPNMEMYJHGV-MRXNPFEDSA-N 0 0 389.459 3.873 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2c(C)cc(C)nc2Cl)c2ccc(F)cc2C1 ZINC000185688595 883573611 /nfs/dbraw/zinc/57/36/11/883573611.db2.gz IGJBOTDESPUVJQ-KRWDZBQOSA-N 0 0 389.858 3.714 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N[C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000186317672 883631907 /nfs/dbraw/zinc/63/19/07/883631907.db2.gz QAZXVMDHKSOAHJ-NRFANRHFSA-N 0 0 381.451 3.795 10 0 GHAERN COc1ccc(C(C)(C)CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186575287 883664667 /nfs/dbraw/zinc/66/46/67/883664667.db2.gz QBOQRZPISLEFMF-UHFFFAOYSA-N 0 0 382.464 3.772 10 0 GHAERN CC(C)c1ccccc1OCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186693904 883687996 /nfs/dbraw/zinc/68/79/96/883687996.db2.gz DEHDDPNMCUDTLX-UHFFFAOYSA-N 0 0 382.464 3.988 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3cccc4ccccc43)CC2)n1 ZINC000186779785 883702409 /nfs/dbraw/zinc/70/24/09/883702409.db2.gz URZOIRAPSNVXIU-PMACEKPBSA-N 0 0 390.487 3.799 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2ccc(C(F)(F)F)nn2)cc1 ZINC000186911000 883716024 /nfs/dbraw/zinc/71/60/24/883716024.db2.gz KXJIWLDCQKZNIN-CQSZACIVSA-N 0 0 397.422 3.960 10 0 GHAERN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@H](C)c2ccncc2OC)cc1 ZINC000187060994 883734590 /nfs/dbraw/zinc/73/45/90/883734590.db2.gz JOJZNOXCVMZELV-UZLBHIALSA-N 0 0 383.492 3.503 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2cccn2)c1 ZINC000187378496 883783926 /nfs/dbraw/zinc/78/39/26/883783926.db2.gz LTQBJQYVLXBOFW-HNNXBMFYSA-N 0 0 396.520 3.676 10 0 GHAERN CC(F)(F)c1cccc(NC(=O)C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000187454245 883791985 /nfs/dbraw/zinc/79/19/85/883791985.db2.gz PZCWKUSFTCYWOQ-LBPRGKRZSA-N 0 0 379.432 3.600 10 0 GHAERN Cc1cc(C)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1Br ZINC000187561050 883800449 /nfs/dbraw/zinc/80/04/49/883800449.db2.gz GPTSZNWPKHWDCB-CQSZACIVSA-N 0 0 378.274 3.943 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)Oc1ccc3c(c1)CCC3=O)CC2 ZINC000187589286 883801100 /nfs/dbraw/zinc/80/11/00/883801100.db2.gz MHTZBUXPMPZLRA-LBPRGKRZSA-N 0 0 390.361 3.643 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3cccc(C)c3Cl)CC2)n1 ZINC000187980341 883824147 /nfs/dbraw/zinc/82/41/47/883824147.db2.gz MAUPZTFBSPBJON-UHFFFAOYSA-N 0 0 375.860 3.555 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2)n1 ZINC000188593770 883844775 /nfs/dbraw/zinc/84/47/75/883844775.db2.gz YQUGJRAXQBBKFX-NFBGWVBBSA-N 0 0 380.416 3.666 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188622954 883867898 /nfs/dbraw/zinc/86/78/98/883867898.db2.gz OHIGBOSCMZBMAA-SFHVURJKSA-N 0 0 381.476 3.716 10 0 GHAERN COCCCOc1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188699319 883871427 /nfs/dbraw/zinc/87/14/27/883871427.db2.gz FDHLETILSWDYQE-UHFFFAOYSA-N 0 0 390.509 3.667 10 0 GHAERN CNC(=O)Cn1ccc2ccc(NC(=O)N3CCC[C@H]3c3csc(C)n3)cc21 ZINC000189020783 883898171 /nfs/dbraw/zinc/89/81/71/883898171.db2.gz MZHFKSGXQANOKS-KRWDZBQOSA-N 0 0 397.504 3.521 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2-c2ccsc2)c2ccc(F)cc2C1 ZINC000189146921 883907121 /nfs/dbraw/zinc/90/71/21/883907121.db2.gz FBNIOHMDNZZKTN-SFHVURJKSA-N 0 0 398.463 3.501 10 0 GHAERN O=C(N1CCC(n2cncn2)CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000189208072 883912805 /nfs/dbraw/zinc/91/28/05/883912805.db2.gz PRAHAWCHAPPWBE-UHFFFAOYSA-N 0 0 398.816 3.846 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)C1CCN(C(=O)c2cccs2)CC1 ZINC000189265354 883926779 /nfs/dbraw/zinc/92/67/79/883926779.db2.gz MLXBWXSIRZAQDC-UHFFFAOYSA-N 0 0 380.872 3.709 10 0 GHAERN Cc1ccccc1-n1nccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189292185 883927958 /nfs/dbraw/zinc/92/79/58/883927958.db2.gz UQRVSUCNXINJAE-UHFFFAOYSA-N 0 0 382.493 3.746 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189793472 883995483 /nfs/dbraw/zinc/99/54/83/883995483.db2.gz CGGUYNOMPFTXDX-QFBILLFUSA-N 0 0 390.483 3.990 10 0 GHAERN O=C(c1cc(F)cc2[nH]c(=S)[nH]c21)N1CC2(CCOCC2)c2ccccc21 ZINC000189827848 884014884 /nfs/dbraw/zinc/01/48/84/884014884.db2.gz VGIAHPSPAGCPIG-UHFFFAOYSA-N 0 0 383.448 3.699 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189853268 884017596 /nfs/dbraw/zinc/01/75/96/884017596.db2.gz ZPRBXVMDXBMQRU-LJQANCHMSA-N 0 0 394.496 3.585 10 0 GHAERN CC(C)c1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)n(-c2ncccn2)n1 ZINC000190081266 884036139 /nfs/dbraw/zinc/03/61/39/884036139.db2.gz VTWNPYQCNVNKND-CQSZACIVSA-N 0 0 397.508 3.654 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000190054379 884045126 /nfs/dbraw/zinc/04/51/26/884045126.db2.gz GVRTWJPCTJNKDW-JJMVLAAESA-N 0 0 398.290 3.852 10 0 GHAERN CCCOc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1OCC ZINC000190162298 884049006 /nfs/dbraw/zinc/04/90/06/884049006.db2.gz BVUWREJZXFCVRX-IAGOWNOFSA-N 0 0 375.469 3.528 10 0 GHAERN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190384790 884073935 /nfs/dbraw/zinc/07/39/35/884073935.db2.gz HGQYXCIYQCIYPY-UHFFFAOYSA-N 0 0 388.518 3.814 10 0 GHAERN C[C@H](CC(=O)N1CCC(Nc2nccs2)CC1)C(=O)c1cccc(F)c1 ZINC000190421397 884078799 /nfs/dbraw/zinc/07/87/99/884078799.db2.gz LDEHZQWFVRNPHY-CYBMUJFWSA-N 0 0 375.469 3.594 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000190437042 884082218 /nfs/dbraw/zinc/08/22/18/884082218.db2.gz OMBAEJXMKNGSPQ-UHFFFAOYSA-N 0 0 383.468 3.650 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000190504618 884094249 /nfs/dbraw/zinc/09/42/49/884094249.db2.gz UUIAKVVWUUPPNL-INIZCTEOSA-N 0 0 394.471 3.797 10 0 GHAERN FC(F)(F)Cn1nnnc1CSCc1ncc(-c2ccccc2Cl)o1 ZINC000191713932 884207201 /nfs/dbraw/zinc/20/72/01/884207201.db2.gz OBNFIPAKLCSEJW-UHFFFAOYSA-N 0 0 389.790 3.977 10 0 GHAERN CC(C)c1c(NC(=O)Nc2ccnc(C(=O)N(C)C)c2)cnn1-c1ccccc1 ZINC000192219900 884258280 /nfs/dbraw/zinc/25/82/80/884258280.db2.gz AEGOMOVQOAVDSY-UHFFFAOYSA-N 0 0 392.463 3.737 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000193199380 884343398 /nfs/dbraw/zinc/34/33/98/884343398.db2.gz DMONDOUYPZFMNF-ZIAGYGMSSA-N 0 0 388.455 3.838 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CCc2cccc(OC)c2CC1 ZINC000193421599 884513326 /nfs/dbraw/zinc/51/33/26/884513326.db2.gz XYDYETLMPAXQKA-UHFFFAOYSA-N 0 0 395.503 3.810 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)NC(=O)C1CCCCC1 ZINC000102914972 884632308 /nfs/dbraw/zinc/63/23/08/884632308.db2.gz KOIUDKJXHBFBMA-CRAIPNDOSA-N 0 0 386.492 3.554 10 0 GHAERN CCc1onc(C)c1C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000105370249 884767233 /nfs/dbraw/zinc/76/72/33/884767233.db2.gz MMZHZYKHHSBEML-UHFFFAOYSA-N 0 0 377.444 3.770 10 0 GHAERN O=[S@@](Cc1nc(-c2ccoc2)no1)Cc1ccc(F)c(Br)c1 ZINC000105692273 884834408 /nfs/dbraw/zinc/83/44/08/884834408.db2.gz PRXIPDBYXRRPFO-QFIPXVFZSA-N 0 0 385.214 3.680 10 0 GHAERN Cc1cccc(C)c1NC(=O)CCC[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711364 884840994 /nfs/dbraw/zinc/84/09/94/884840994.db2.gz NUMORXMOXIOKME-HHHXNRCGSA-N 0 0 387.461 3.614 10 0 GHAERN C[C@H](CC(=O)N(C)Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000103732987 885152260 /nfs/dbraw/zinc/15/22/60/885152260.db2.gz FIYMKTJAOOKTPY-CYBMUJFWSA-N 0 0 383.872 3.690 10 0 GHAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000193538833 885237493 /nfs/dbraw/zinc/23/74/93/885237493.db2.gz IXPIZQPYGCOIMH-FCHUYYIVSA-N 0 0 392.499 3.529 10 0 GHAERN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000003483519 885243340 /nfs/dbraw/zinc/24/33/40/885243340.db2.gz LQNJGIFESKZCDE-UHFFFAOYSA-N 0 0 395.415 3.574 10 0 GHAERN CC(=O)NCc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)s1 ZINC000104576806 885487027 /nfs/dbraw/zinc/48/70/27/885487027.db2.gz XEZXEKCVVNOHAR-UHFFFAOYSA-N 0 0 397.504 3.515 10 0 GHAERN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112351590 886258718 /nfs/dbraw/zinc/25/87/18/886258718.db2.gz PEBIHJSGTZSZAJ-KRWDZBQOSA-N 0 0 385.533 3.540 10 0 GHAERN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000030996020 886273089 /nfs/dbraw/zinc/27/30/89/886273089.db2.gz CFINHJVOBDRHIN-QHCPKHFHSA-N 0 0 387.483 3.531 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114812424 886328099 /nfs/dbraw/zinc/32/80/99/886328099.db2.gz PSYAYPQLFPHEEY-ZIAGYGMSSA-N 0 0 388.493 3.528 10 0 GHAERN COCCOc1ccc(F)cc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114813998 886329048 /nfs/dbraw/zinc/32/90/48/886329048.db2.gz XXKZWWVFGMIHLC-ZDUSSCGKSA-N 0 0 379.457 3.719 10 0 GHAERN CN(c1cccnn1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000115959296 886352430 /nfs/dbraw/zinc/35/24/30/886352430.db2.gz MOZKENIMHKTXRV-BQYQJAHWSA-N 0 0 390.409 3.636 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1OC ZINC000117627161 886387937 /nfs/dbraw/zinc/38/79/37/886387937.db2.gz JIXDDSDFFIOMGA-QGHHPUGFSA-N 0 0 392.249 3.970 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CCCn4cc(C)nc43)C2)n1 ZINC000332721322 886539574 /nfs/dbraw/zinc/53/95/74/886539574.db2.gz ZBLVXMFNVKUOAQ-HOTGVXAUSA-N 0 0 387.553 3.677 10 0 GHAERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)CCC2 ZINC000332788433 886545408 /nfs/dbraw/zinc/54/54/08/886545408.db2.gz MKQRSSPEFDBVDV-RYQLBKOJSA-N 0 0 388.899 3.552 10 0 GHAERN COc1cc2c(c(CN[C@H](c3ncon3)c3ccc(Cl)cc3)c1)O[C@@H](C)C2 ZINC000122577327 886592454 /nfs/dbraw/zinc/59/24/54/886592454.db2.gz UQQNJYCOFHXRFK-SGTLLEGYSA-N 0 0 385.851 3.934 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)CC2)n1 ZINC000124195593 886715437 /nfs/dbraw/zinc/71/54/37/886715437.db2.gz KOBAYAZSERSVFE-SFTDATJTSA-N 0 0 394.519 3.578 10 0 GHAERN O=C(NCCc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000042995328 886826158 /nfs/dbraw/zinc/82/61/58/886826158.db2.gz WPKKENDJIBBUQT-MRXNPFEDSA-N 0 0 383.883 3.514 10 0 GHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000127326872 887051811 /nfs/dbraw/zinc/05/18/11/887051811.db2.gz NRUIYZRLCPDSFJ-HOCLYGCPSA-N 0 0 395.429 3.739 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2O[C@@H]2CCOC2)cc1 ZINC000127394795 887057312 /nfs/dbraw/zinc/05/73/12/887057312.db2.gz HMFHEDLEPBYKKO-CTNGQTDRSA-N 0 0 396.487 3.639 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](c3ncc[nH]3)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000129253671 887274869 /nfs/dbraw/zinc/27/48/69/887274869.db2.gz GPKDJPJOVAIEMX-REWPJTCUSA-N 0 0 388.471 3.696 10 0 GHAERN CCc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000049787084 887589044 /nfs/dbraw/zinc/58/90/44/887589044.db2.gz SKXUENPRGPYTSF-LPHOPBHVSA-N 0 0 377.492 3.942 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000105110754 887654281 /nfs/dbraw/zinc/65/42/81/887654281.db2.gz CFSSDVXQOOKEIO-UHFFFAOYSA-N 0 0 394.519 3.985 10 0 GHAERN CC(C)N(C(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000050275528 887655322 /nfs/dbraw/zinc/65/53/22/887655322.db2.gz CTVVXGLIHKVRGA-UHFFFAOYSA-N 0 0 385.552 3.543 10 0 GHAERN O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CC=C(c2cccs2)CC1 ZINC000132593742 887672666 /nfs/dbraw/zinc/67/26/66/887672666.db2.gz OULBZKMZWNOOPW-UHFFFAOYSA-N 0 0 397.468 3.603 10 0 GHAERN O=C(Nc1ccc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1)C1CC1 ZINC000051707200 887781063 /nfs/dbraw/zinc/78/10/63/887781063.db2.gz YLNGCXGVIPHBJX-UHFFFAOYSA-N 0 0 398.484 3.554 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000134388608 887867258 /nfs/dbraw/zinc/86/72/58/887867258.db2.gz VTOWHGQNIYHOCT-IRLDBZIGSA-N 0 0 389.499 3.597 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1cccc2cccnc21 ZINC000134647966 887895628 /nfs/dbraw/zinc/89/56/28/887895628.db2.gz MBVFJOAKLXNQCT-SFHVURJKSA-N 0 0 391.475 3.657 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)n1 ZINC000135135256 887945925 /nfs/dbraw/zinc/94/59/25/887945925.db2.gz QDQLHDYKGHJCHZ-LBPRGKRZSA-N 0 0 376.407 3.712 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000135190000 887950092 /nfs/dbraw/zinc/95/00/92/887950092.db2.gz QQVRLYFEVMDVRU-LJQANCHMSA-N 0 0 380.463 3.653 10 0 GHAERN COc1ccc([C@@H](NC(=O)/C=C/c2cccc3cccnc23)c2nccn2C)cc1 ZINC000055386684 888151877 /nfs/dbraw/zinc/15/18/77/888151877.db2.gz MSKWOMMAKKFXMY-UQNNOOFXSA-N 0 0 398.466 3.896 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000135510160 888246357 /nfs/dbraw/zinc/24/63/57/888246357.db2.gz PKCSMUGFPICTHO-UHFFFAOYSA-N 0 0 391.496 3.798 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000053955466 888256484 /nfs/dbraw/zinc/25/64/84/888256484.db2.gz PLALBIKHFWVFTD-IEBWSBKVSA-N 0 0 375.476 3.696 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136443349 888295838 /nfs/dbraw/zinc/29/58/38/888295838.db2.gz YGPLDPWRIQSNNF-QHCPKHFHSA-N 0 0 399.462 3.769 10 0 GHAERN COc1c(F)cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000055947141 888340805 /nfs/dbraw/zinc/34/08/05/888340805.db2.gz HSLRQPAYSUOJIP-UHFFFAOYSA-N 0 0 392.377 3.603 10 0 GHAERN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000137272101 888345070 /nfs/dbraw/zinc/34/50/70/888345070.db2.gz PCNYQTYKVSQFOL-IBGZPJMESA-N 0 0 398.532 3.628 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC=C(c2ccccc2F)CC1 ZINC000137352984 888348097 /nfs/dbraw/zinc/34/80/97/888348097.db2.gz NLGNGAOCSUJAEL-IBGZPJMESA-N 0 0 382.460 3.945 10 0 GHAERN COc1ccc(Cl)c(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000064829575 888537032 /nfs/dbraw/zinc/53/70/32/888537032.db2.gz HYSYKACKBATXLQ-LBPRGKRZSA-N 0 0 378.881 3.901 10 0 GHAERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000194307631 888575924 /nfs/dbraw/zinc/57/59/24/888575924.db2.gz CLJZMBCHUHGKDE-MRXNPFEDSA-N 0 0 391.393 3.973 10 0 GHAERN COCc1ccc(NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cc1 ZINC000195225832 888654859 /nfs/dbraw/zinc/65/48/59/888654859.db2.gz LSZXLCWKRVLZRC-ZDUSSCGKSA-N 0 0 379.382 3.694 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000245532827 888852634 /nfs/dbraw/zinc/85/26/34/888852634.db2.gz IIKTXDVHQSGCOG-ZLGUVYLKSA-N 0 0 396.535 3.759 10 0 GHAERN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000245547777 888901638 /nfs/dbraw/zinc/90/16/38/888901638.db2.gz NBFDCULCZSKNIH-NYVOZVTQSA-N 0 0 393.483 3.764 10 0 GHAERN C[N@@H+]1CC[C@H](NC(=O)N[C@H](c2nccs2)c2ccccc2)[C@H]1c1ccccc1 ZINC000245699470 889275551 /nfs/dbraw/zinc/27/55/51/889275551.db2.gz YVIRPRLCNBXRAB-SLFFLAALSA-N 0 0 392.528 3.977 10 0 GHAERN CC(=O)N(c1nc(CN2CCS[C@@H]3COCC[C@H]32)cs1)c1ccccc1 ZINC000245909758 889997284 /nfs/dbraw/zinc/99/72/84/889997284.db2.gz MQMNQAGQCLQVDK-QZTJIDSGSA-N 0 0 389.546 3.534 10 0 GHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000245920459 890016394 /nfs/dbraw/zinc/01/63/94/890016394.db2.gz GUYGAZJRDDDQES-LVCYWYKZSA-N 0 0 399.535 3.591 10 0 GHAERN CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000245966509 890099657 /nfs/dbraw/zinc/09/96/57/890099657.db2.gz DZFGSAGYNDNOGX-ABSDTBQOSA-N 0 0 395.551 3.621 10 0 GHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245985856 890128974 /nfs/dbraw/zinc/12/89/74/890128974.db2.gz HOKLQHPBDYXSDP-ZAAXVRCTSA-N 0 0 387.524 3.703 10 0 GHAERN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000246171962 890597009 /nfs/dbraw/zinc/59/70/09/890597009.db2.gz SKWTWQHDCRVNIT-VQIMIIECSA-N 0 0 389.503 3.584 10 0 GHAERN COCCc1ccc(OCCCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067046351 891141135 /nfs/dbraw/zinc/14/11/35/891141135.db2.gz IMNJGKDPXLZRAM-GOSISDBHSA-N 0 0 388.533 3.897 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000246798184 891306992 /nfs/dbraw/zinc/30/69/92/891306992.db2.gz JPPBHPKYSMTHSC-MQNAVGNWSA-N 0 0 390.483 3.939 10 0 GHAERN C[C@H](NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(N2CCOC2=O)cc1 ZINC000247350433 891370563 /nfs/dbraw/zinc/37/05/63/891370563.db2.gz YBRPRROYGBIROM-RKTMXUFFSA-N 0 0 391.471 3.589 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1C ZINC000247930833 891400724 /nfs/dbraw/zinc/40/07/24/891400724.db2.gz JUKMTGPXZZZZDB-UHFFFAOYSA-N 0 0 397.450 3.583 10 0 GHAERN CS[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248633387 891448688 /nfs/dbraw/zinc/44/86/88/891448688.db2.gz SJDPVNPHMAHDOD-ZHALLVOQSA-N 0 0 393.528 3.592 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000248663967 891454764 /nfs/dbraw/zinc/45/47/64/891454764.db2.gz KKCWZKASXAWKDE-YCPHGPKFSA-N 0 0 380.485 3.639 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1C(=O)N(C)C(C)C ZINC000248731058 891462900 /nfs/dbraw/zinc/46/29/00/891462900.db2.gz LEEPBDLJVNOYOV-QXAKKESOSA-N 0 0 385.508 3.555 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248775283 891468024 /nfs/dbraw/zinc/46/80/24/891468024.db2.gz HOABXSWMDIMDRB-IPMKNSEASA-N 0 0 388.508 3.716 10 0 GHAERN COc1ccc(-c2ccncc2)cc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000249402221 891504568 /nfs/dbraw/zinc/50/45/68/891504568.db2.gz CGFNABVJMXUCHX-LEWJYISDSA-N 0 0 394.471 3.675 10 0 GHAERN C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccs2)C1 ZINC000249808545 891525579 /nfs/dbraw/zinc/52/55/79/891525579.db2.gz BWRTUHYZOKYMOV-DOTOQJQBSA-N 0 0 382.533 3.551 10 0 GHAERN C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1n1ccnc1 ZINC000253556572 891882120 /nfs/dbraw/zinc/88/21/20/891882120.db2.gz JRUIFBOSBCKSIN-UKRRQHHQSA-N 0 0 395.488 3.937 10 0 GHAERN CC(C)COC1CCN(C(=O)c2cc(Br)cnc2Cl)CC1 ZINC000101649686 897952292 /nfs/dbraw/zinc/95/22/92/897952292.db2.gz KBCSIGIQPGGVLP-UHFFFAOYSA-N 0 0 375.694 3.775 10 0 GHAERN Cc1ccc(CC(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)s1 ZINC000101829823 897971742 /nfs/dbraw/zinc/97/17/42/897971742.db2.gz ZUNYDFRGZLOCGB-OAHLLOKOSA-N 0 0 385.533 3.733 10 0 GHAERN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000101839512 897973142 /nfs/dbraw/zinc/97/31/42/897973142.db2.gz NTPFCWCZFJZKAF-UHFFFAOYSA-N 0 0 395.228 3.672 10 0 GHAERN CC(C)c1ccccc1OC[C@H](O)CSc1nnc(-c2ccncc2)n1C ZINC000102651176 898021647 /nfs/dbraw/zinc/02/16/47/898021647.db2.gz ZQWQCQXLVUATSB-INIZCTEOSA-N 0 0 384.505 3.533 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(OCc3cccc(C)c3)cc2C)n1 ZINC000105720843 898232150 /nfs/dbraw/zinc/23/21/50/898232150.db2.gz GZVNSQZJUUZYQW-UHFFFAOYSA-N 0 0 380.448 3.938 10 0 GHAERN CCn1ccnc1[C@@H]1CCCCN1C(=O)CC[C@H]1CN(C(C)=O)c2ccccc21 ZINC000333255988 901946019 /nfs/dbraw/zinc/94/60/19/901946019.db2.gz LETZEFTYZHWECT-RXVVDRJESA-N 0 0 394.519 3.887 10 0 GHAERN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)c2ccccc21 ZINC000333354252 902031736 /nfs/dbraw/zinc/03/17/36/902031736.db2.gz WIXPKJKALCCUFO-JWNTYJGQSA-N 0 0 396.535 3.604 10 0 GHAERN Cc1nc2cc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)ccc2n1-c1ccccc1 ZINC000333687655 902270960 /nfs/dbraw/zinc/27/09/60/902270960.db2.gz AMRKZNFHNVQSHE-CMKODMSKSA-N 0 0 375.472 3.567 10 0 GHAERN CC(C)Oc1ccc(CCCOC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 ZINC000103674797 904498769 /nfs/dbraw/zinc/49/87/69/904498769.db2.gz QJCZYJUMIOHFTP-UHFFFAOYSA-N 0 0 390.501 3.808 10 0 GHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)c21 ZINC000179348016 906478729 /nfs/dbraw/zinc/47/87/29/906478729.db2.gz URAAVASNRQQRST-OAHLLOKOSA-N 0 0 380.452 3.709 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183064493 907319740 /nfs/dbraw/zinc/31/97/40/907319740.db2.gz AYELTWBGEVYREV-AWEZNQCLSA-N 0 0 382.390 3.649 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000186758089 907980419 /nfs/dbraw/zinc/98/04/19/907980419.db2.gz KVYNMPTZXHJVHX-GFCCVEGCSA-N 0 0 384.665 3.980 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000186811834 907987467 /nfs/dbraw/zinc/98/74/67/907987467.db2.gz DQBOECPYDVGXPK-HOCLYGCPSA-N 0 0 394.541 3.601 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000189080596 908280139 /nfs/dbraw/zinc/28/01/39/908280139.db2.gz AYHRLTLSGQEUHE-WCQYABFASA-N 0 0 387.383 3.592 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000189388579 908315167 /nfs/dbraw/zinc/31/51/67/908315167.db2.gz AXJMOCWEOJKOLQ-QFBILLFUSA-N 0 0 399.495 3.752 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2OCC2CC2)cs1 ZINC000189435156 908322224 /nfs/dbraw/zinc/32/22/24/908322224.db2.gz AZNLWLKPIKTRPK-KRWDZBQOSA-N 0 0 385.489 3.543 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C)c3ncccc23)cs1 ZINC000189440367 908323181 /nfs/dbraw/zinc/32/31/81/908323181.db2.gz HCQZDRJXYVBMSX-KRWDZBQOSA-N 0 0 380.473 3.610 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000190006568 908400807 /nfs/dbraw/zinc/40/08/07/908400807.db2.gz WHBQHUBMBYFITO-HUYLIWGRSA-N 0 0 377.444 3.623 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000190050639 908413302 /nfs/dbraw/zinc/41/33/02/908413302.db2.gz ZRBULVNGXBTXGM-MOPGFXCFSA-N 0 0 379.416 3.773 10 0 GHAERN c1ccn2c(c1)nnc2C[C@@H]1CCCN(Cc2noc(C3CCCCC3)n2)C1 ZINC000368399990 922648973 /nfs/dbraw/zinc/64/89/73/922648973.db2.gz NTKRVXYZSZYGHO-INIZCTEOSA-N 0 0 380.496 3.615 10 0 GHAERN CSCCCCCCNC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184026883 1014570454 /nfs/dbraw/zinc/57/04/54/1014570454.db2.gz ZUJGAJIGHSIZRV-IBGZPJMESA-N 0 0 395.544 3.842 10 0 GHAERN CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000005923381 206262413 /nfs/dbraw/zinc/26/24/13/206262413.db2.gz LELBFTMXCIIKKX-SUCIZOKWSA-N 0 0 398.503 3.825 10 0 GHAERN O=c1ccc(-c2c3ccccn3nc2-c2ccccc2)nn1[C@@H]1CCCCC1=O ZINC000003812465 206293911 /nfs/dbraw/zinc/29/39/11/206293911.db2.gz BBYOAANJEGZXDC-GOSISDBHSA-N 0 0 384.439 3.909 10 0 GHAERN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccnc1Cl ZINC000090549889 206298792 /nfs/dbraw/zinc/29/87/92/206298792.db2.gz CUZWUUYOYQZGGF-UHFFFAOYSA-N 0 0 378.657 3.951 10 0 GHAERN CCOC(=O)Nc1cc(N)c2nnn(C(c3ccccc3)c3ccccc3)c2n1 ZINC000031671965 206303476 /nfs/dbraw/zinc/30/34/76/206303476.db2.gz GXVBTPBWQSFUSF-UHFFFAOYSA-N 0 0 388.431 3.615 10 0 GHAERN CC(=O)N1CCC(Nc2ccccc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000034806909 206305017 /nfs/dbraw/zinc/30/50/17/206305017.db2.gz QJYMHYHKLLIKBC-UHFFFAOYSA-N 0 0 392.908 3.596 10 0 GHAERN COc1ccc(CCC(=O)N(c2nnc(-c3cccnc3)s2)C(C)C)cc1 ZINC000001345643 206374441 /nfs/dbraw/zinc/37/44/41/206374441.db2.gz LLLWZLMLULBHKB-UHFFFAOYSA-N 0 0 382.489 3.983 10 0 GHAERN CCCNC(=O)[C@H]1COC2(CCC(C)CC2)N1C(=O)c1ccccc1Cl ZINC000006832952 206684591 /nfs/dbraw/zinc/68/45/91/206684591.db2.gz XWTDXNKFIRYDGW-GBXVCHKXSA-N 0 0 378.900 3.614 10 0 GHAERN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)(C)C ZINC000008427781 206752460 /nfs/dbraw/zinc/75/24/60/206752460.db2.gz VYCBULRDTVYJJP-UHFFFAOYSA-N 0 0 382.526 3.633 10 0 GHAERN Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000013812836 207001794 /nfs/dbraw/zinc/00/17/94/207001794.db2.gz UJAMUMWHXRVKDM-UHFFFAOYSA-N 0 0 381.379 3.665 10 0 GHAERN C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000014424965 207021171 /nfs/dbraw/zinc/02/11/71/207021171.db2.gz XFCZRXNXYACPHR-QWRGUYRKSA-N 0 0 391.254 3.855 10 0 GHAERN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3CCc4ccccc43)s2)C1 ZINC000015732293 207058236 /nfs/dbraw/zinc/05/82/36/207058236.db2.gz GAEJUCHNKITJIF-MRXNPFEDSA-N 0 0 384.501 3.858 10 0 GHAERN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)cc2)cc1 ZINC000020319180 207188597 /nfs/dbraw/zinc/18/85/97/207188597.db2.gz JFIUMAGPGVXXRM-NRFANRHFSA-N 0 0 375.428 3.866 10 0 GHAERN CCOC(=O)c1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105397 207225944 /nfs/dbraw/zinc/22/59/44/207225944.db2.gz BZRDUOBIENRDNE-IBGZPJMESA-N 0 0 377.400 3.618 10 0 GHAERN Cc1ccc(S(N)(=O)=O)cc1N[C@@H](C)c1ccc(Br)s1 ZINC000038003175 207249447 /nfs/dbraw/zinc/24/94/47/207249447.db2.gz LRTUPCSBZPFREV-VIFPVBQESA-N 0 0 375.313 3.640 10 0 GHAERN C[C@@H](Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)s1 ZINC000038002810 207250007 /nfs/dbraw/zinc/25/00/07/207250007.db2.gz CHJXYQROXRTFAB-SNVBAGLBSA-N 0 0 389.340 3.934 10 0 GHAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2nc(N3CCCC3)ncc2C1 ZINC000065289397 207859079 /nfs/dbraw/zinc/85/90/79/207859079.db2.gz DANCIXVNBYJSDQ-ZDUSSCGKSA-N 0 0 390.409 3.839 10 0 GHAERN Cc1ccc(S(=O)(=O)N(C)[C@@]2(c3cccc4c3NCC4)CCCCC2=O)cc1 ZINC000089210450 208103877 /nfs/dbraw/zinc/10/38/77/208103877.db2.gz YKPVKSNVDAMLDJ-JOCHJYFZSA-N 0 0 398.528 3.622 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@](=O)c1cnc2ccccc2n1 ZINC000095086806 208154208 /nfs/dbraw/zinc/15/42/08/208154208.db2.gz IVCWCYDQUKXZDY-IYJVBRSBSA-N 0 0 375.494 3.527 10 0 GHAERN O=C(CN[C@H](C1CCOCC1)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000096007179 208254354 /nfs/dbraw/zinc/25/43/54/208254354.db2.gz WQRVJKJVIOCRIH-CQSZACIVSA-N 0 0 385.213 3.879 10 0 GHAERN Cc1ccc(Oc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)cc1C ZINC000040799596 132407616 /nfs/dbraw/zinc/40/76/16/132407616.db2.gz MROQGOKDOZMANW-UHFFFAOYSA-N 0 0 393.466 3.934 10 0 GHAERN CC1CCN(c2ccc(-c3noc(CN4CCc5ccccc5C4)n3)cn2)CC1 ZINC000065216141 136160255 /nfs/dbraw/zinc/16/02/55/136160255.db2.gz XVYHYFZDZHSRRE-UHFFFAOYSA-N 0 0 389.503 3.926 10 0 GHAERN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)NCc4ccccc4F)C3)c2c1C ZINC000032960380 221757763 /nfs/dbraw/zinc/75/77/63/221757763.db2.gz PVXAWTRNAWCFOR-KRWDZBQOSA-N 0 0 396.466 3.820 10 0 GHAERN COc1cc2c(c3c1-c1cc(O)c4cc5c(cc4c1N(C)C3)OCO5)OCO2 ZINC000001530123 560181311 /nfs/dbraw/zinc/18/13/11/560181311.db2.gz LEHAJESKGINQOW-UHFFFAOYSA-N 0 0 379.368 3.628 10 0 in-vitro GHAERN CCCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)C1CCCCC1 ZINC000004906990 570362728 /nfs/dbraw/zinc/36/27/28/570362728.db2.gz XQMHNMMBFVCJTE-FQEVSTJZSA-N 0 0 390.524 3.606 10 0 GHAERN O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000011871275 570588767 /nfs/dbraw/zinc/58/87/67/570588767.db2.gz DLGHTKWYQLVOFB-IBGZPJMESA-N 0 0 398.466 3.677 10 0 GHAERN COc1cc(OC)cc(C(=O)N2CCC[C@@H](OCc3ccc(F)cc3F)C2)c1 ZINC000036315073 570614057 /nfs/dbraw/zinc/61/40/57/570614057.db2.gz GASLPMILTJJVMS-QGZVFWFLSA-N 0 0 391.414 3.803 10 0 GHAERN Cc1cc(CN(Cc2ccncc2)Cc2ccc(F)cc2)c(C)n1-n1cnnc1 ZINC000055368581 570692811 /nfs/dbraw/zinc/69/28/11/570692811.db2.gz JEJFIHJOQIFYHO-UHFFFAOYSA-N 0 0 390.466 3.744 10 0 GHAERN Cc1cccc(C(=O)N2CCN(c3nc(CN4CCC(C)CC4)cs3)CC2)c1 ZINC000065200304 570726970 /nfs/dbraw/zinc/72/69/70/570726970.db2.gz YKMYCRNUODZCJL-UHFFFAOYSA-N 0 0 398.576 3.646 10 0 GHAERN Cc1scc2nc(C(=O)Nc3cccc(F)c3)nc(N3CCSCC3)c12 ZINC000065283388 570780701 /nfs/dbraw/zinc/78/07/01/570780701.db2.gz RRNOUIOPRZSYIF-UHFFFAOYSA-N 0 0 388.493 3.944 10 0 GHAERN CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000169793856 570785628 /nfs/dbraw/zinc/78/56/28/570785628.db2.gz IVVOPKRDLNHKQE-NSISKUIASA-N 0 0 382.479 3.986 10 0 GHAERN Cc1ccc(CNS(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000046914150 570936603 /nfs/dbraw/zinc/93/66/03/570936603.db2.gz YAFNJECNRATEPY-UHFFFAOYSA-N 0 0 394.456 3.519 10 0 GHAERN O=C(NCCn1c2ncccc2nc1-c1ccncc1)c1ccccc1Cl ZINC000046915966 570936952 /nfs/dbraw/zinc/93/69/52/570936952.db2.gz UEUDROFHGARPHN-UHFFFAOYSA-N 0 0 377.835 3.577 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)n1 ZINC000110894703 834800638 /nfs/dbraw/zinc/80/06/38/834800638.db2.gz UCZKQPZLYLGCLM-AWEZNQCLSA-N 0 0 388.537 3.618 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)n1 ZINC000111833292 834998995 /nfs/dbraw/zinc/99/89/95/834998995.db2.gz MFAIGBPWFIWVPN-UZLBHIALSA-N 0 0 397.523 3.698 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000588582664 835036551 /nfs/dbraw/zinc/03/65/51/835036551.db2.gz QHHVASYACLVDHG-YVMONPNESA-N 0 0 379.851 3.515 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157798368 835097096 /nfs/dbraw/zinc/09/70/96/835097096.db2.gz TYHLQOOAKFSFFR-UHFFFAOYSA-N 0 0 397.567 3.577 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2)n1 ZINC000158069002 835209774 /nfs/dbraw/zinc/20/97/74/835209774.db2.gz UVRCFCAXESFVMM-UHFFFAOYSA-N 0 0 390.491 3.672 10 0 GHAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]n1 ZINC000158215566 835276697 /nfs/dbraw/zinc/27/66/97/835276697.db2.gz DXKZLVFPTQSDBI-CRAIPNDOSA-N 0 0 392.507 3.628 10 0 GHAERN CN(C(=O)Nc1ccnn1Cc1ccc(Cl)cc1)[C@@H]1CCCc2c1cnn2C ZINC000158431968 835375137 /nfs/dbraw/zinc/37/51/37/835375137.db2.gz ZEKBOYNIGBIIFY-QGZVFWFLSA-N 0 0 398.898 3.860 10 0 GHAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@H](O)CC23CCC3)C1 ZINC000333133026 844053952 /nfs/dbraw/zinc/05/39/52/844053952.db2.gz BDSBFOLOHZIXAI-KSZLIROESA-N 0 0 399.535 3.716 10 0 GHAERN CC(=O)c1ccc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)cc1C ZINC000187657002 835527758 /nfs/dbraw/zinc/52/77/58/835527758.db2.gz KMSUMZYNMBPNNF-UHFFFAOYSA-N 0 0 395.507 3.774 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)sc1C ZINC000329668605 835581054 /nfs/dbraw/zinc/58/10/54/835581054.db2.gz RBWHKJVEMKBZTK-IRXDYDNUSA-N 0 0 391.581 3.893 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(Br)cc(C)c3o2)C[C@H]1C ZINC000188048974 835817878 /nfs/dbraw/zinc/81/78/78/835817878.db2.gz SKDOFQRJXDEMQX-BXUZGUMPSA-N 0 0 394.265 3.775 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000245988332 835825651 /nfs/dbraw/zinc/82/56/51/835825651.db2.gz QHPKMZVBZLKAJH-YXYSEUPNSA-N 0 0 391.519 3.579 10 0 GHAERN Fc1ccc(C2(c3nc([C@H]4CN5CCC[C@@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748452 835860987 /nfs/dbraw/zinc/86/09/87/835860987.db2.gz ZZGYEJHAUADZAU-RHSMWYFYSA-N 0 0 375.419 3.744 10 0 GHAERN C[C@H](Oc1cccc2ccccc21)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588596769 835926423 /nfs/dbraw/zinc/92/64/23/835926423.db2.gz FXAZOESDMZXRHS-PTZVLDCSSA-N 0 0 384.476 3.804 10 0 GHAERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000332770206 836591875 /nfs/dbraw/zinc/59/18/75/836591875.db2.gz CROSGBTYDNCQOO-YQYZPQCESA-N 0 0 393.409 3.579 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CCO2)o1 ZINC000275381438 836957754 /nfs/dbraw/zinc/95/77/54/836957754.db2.gz OURYPDHTPQBZPK-TZMCWYRMSA-N 0 0 375.494 3.593 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C12CCOCC2 ZINC000185859752 837013974 /nfs/dbraw/zinc/01/39/74/837013974.db2.gz QOMBIXUMFHTMDZ-BHIYHBOVSA-N 0 0 388.508 3.562 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1F ZINC000179429349 838358092 /nfs/dbraw/zinc/35/80/92/838358092.db2.gz FZJNEJNZVAQZSF-ZDUSSCGKSA-N 0 0 390.405 3.834 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(F)c(F)c1 ZINC000179948301 838477364 /nfs/dbraw/zinc/47/73/64/838477364.db2.gz PDHWMIXXQCBBBJ-BBRMVZONSA-N 0 0 381.448 3.698 10 0 GHAERN CCn1cc(N=c2scc(-c3c(C)noc3C)n2Cc2cscn2)cn1 ZINC000588496863 838513764 /nfs/dbraw/zinc/51/37/64/838513764.db2.gz PTLIDSCVBCDORI-UHFFFAOYSA-N 0 0 386.506 3.775 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000179187393 838529745 /nfs/dbraw/zinc/52/97/45/838529745.db2.gz VTKVTRBBTSLCQS-MAUKXSAKSA-N 0 0 383.517 3.854 10 0 GHAERN CC(C)COc1ccc(C(C)(C)CNC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000106585995 838565369 /nfs/dbraw/zinc/56/53/69/838565369.db2.gz BJSAAFMGAZEWIH-UHFFFAOYSA-N 0 0 399.539 3.637 10 0 GHAERN CC(C)c1cc(Br)ccc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408013247 838576425 /nfs/dbraw/zinc/57/64/25/838576425.db2.gz KCMASLVVAMTEDM-SFHVURJKSA-N 0 0 394.313 3.707 10 0 GHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(Br)cc1Cl ZINC000105694263 838949847 /nfs/dbraw/zinc/94/98/47/838949847.db2.gz DWISDLQWMDIILF-FQEVSTJZSA-N 0 0 380.735 3.656 10 0 GHAERN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000115367178 839124082 /nfs/dbraw/zinc/12/40/82/839124082.db2.gz XWGBLKLNPDVZPI-JKSUJKDBSA-N 0 0 389.908 3.903 10 0 GHAERN C[C@@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccnc1 ZINC000174461902 839529836 /nfs/dbraw/zinc/52/98/36/839529836.db2.gz RXNJZIVVEUINOC-DYVFJYSZSA-N 0 0 375.266 3.548 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)CC2)n1 ZINC000108794364 840239687 /nfs/dbraw/zinc/23/96/87/840239687.db2.gz WYVBCQFUBILDTR-IBGZPJMESA-N 0 0 397.544 3.710 10 0 GHAERN Cc1c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2cccnc21 ZINC000333292475 844535652 /nfs/dbraw/zinc/53/56/52/844535652.db2.gz BCDUGTCJFGAFST-YDSTWLSQSA-N 0 0 387.487 3.632 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000332776859 844562857 /nfs/dbraw/zinc/56/28/57/844562857.db2.gz MBWKGIPCDBJFNE-BEFAXECRSA-N 0 0 397.523 3.830 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000106207136 840760432 /nfs/dbraw/zinc/76/04/32/840760432.db2.gz URGWGCKSNIOYCJ-GOEBONIOSA-N 0 0 383.521 3.811 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(Cc1nc3sc4c(c3c(N)n1)CCCC4)C2 ZINC000106861047 841123970 /nfs/dbraw/zinc/12/39/70/841123970.db2.gz LCHCFEBYFWCAAX-UHFFFAOYSA-N 0 0 396.564 3.568 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3c3ccccc3C)C2)nn1 ZINC000332871514 844616241 /nfs/dbraw/zinc/61/62/41/844616241.db2.gz CNHIBHAAFRKEIB-QUCCMNQESA-N 0 0 379.508 3.609 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C1 ZINC000190130717 841295800 /nfs/dbraw/zinc/29/58/00/841295800.db2.gz WNRCKMWVZZTYEH-MOPGFXCFSA-N 0 0 399.495 3.608 10 0 GHAERN CCN1CC[C@H](NC(=O)/C=C\c2cncc(O)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000588409747 841304568 /nfs/dbraw/zinc/30/45/68/841304568.db2.gz KDHXEJMLTXQLQU-YKEVHWJYSA-N 0 0 389.858 3.545 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000109284310 841466388 /nfs/dbraw/zinc/46/63/88/841466388.db2.gz VKTHIYHSMCYCSX-UHFFFAOYSA-N 0 0 380.301 3.861 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000246500123 841757042 /nfs/dbraw/zinc/75/70/42/841757042.db2.gz HNIANFXOZPHFOA-VCBZYWHSSA-N 0 0 396.940 3.557 10 0 GHAERN O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000105933093 841820188 /nfs/dbraw/zinc/82/01/88/841820188.db2.gz SAEPTRQQRSRACK-KRWDZBQOSA-N 0 0 395.484 3.550 10 0 GHAERN CC1([C@H]2CCCN(C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)C2)OCCO1 ZINC000588428549 842233862 /nfs/dbraw/zinc/23/38/62/842233862.db2.gz AJNXCVVOVQILPY-QWGSZXSUSA-N 0 0 386.879 3.903 10 0 GHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000246601992 842406021 /nfs/dbraw/zinc/40/60/21/842406021.db2.gz XMLGZDLNWFOIAY-XHBSWPGZSA-N 0 0 385.917 3.896 10 0 GHAERN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000408328637 842513289 /nfs/dbraw/zinc/51/32/89/842513289.db2.gz BOTKYRMNWICCOM-QLFBSQMISA-N 0 0 391.478 3.690 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000588434719 842522330 /nfs/dbraw/zinc/52/23/30/842522330.db2.gz VYPYPXJCLAWRJE-KTKRTIGZSA-N 0 0 394.471 3.728 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000588435406 842546665 /nfs/dbraw/zinc/54/66/65/842546665.db2.gz GHUVXAPEKWTJBQ-WAYWQWQTSA-N 0 0 389.893 3.926 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc3ccccc3c(=O)[nH]1)CCCC2 ZINC000279134282 842629227 /nfs/dbraw/zinc/62/92/27/842629227.db2.gz FKAGFOHYYPRUAJ-IBGZPJMESA-N 0 0 376.460 3.530 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000328898299 842846213 /nfs/dbraw/zinc/84/62/13/842846213.db2.gz DDUNKBGIIGLYAY-LJQANCHMSA-N 0 0 378.480 3.600 10 0 GHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000408366883 842901605 /nfs/dbraw/zinc/90/16/05/842901605.db2.gz ORMZLINGGULWLI-GUDVDZBRSA-N 0 0 378.538 3.587 10 0 GHAERN CC[C@H](CSc1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000162262655 843218184 /nfs/dbraw/zinc/21/81/84/843218184.db2.gz ILSPIDTYGGZPRU-GOSISDBHSA-N 0 0 397.544 3.621 10 0 GHAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162472767 843258711 /nfs/dbraw/zinc/25/87/11/843258711.db2.gz WUJIFKGJVRPPTI-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000588453381 843336849 /nfs/dbraw/zinc/33/68/49/843336849.db2.gz RCRFGWGUBLKVCL-VJVQGEDVSA-N 0 0 399.494 3.794 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)/C=C\c3ncccc3C)CC2)cc1Cl ZINC000588454951 843350213 /nfs/dbraw/zinc/35/02/13/843350213.db2.gz UKJOANWBJGKQQC-FPLPWBNLSA-N 0 0 398.894 3.741 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000112306808 843351601 /nfs/dbraw/zinc/35/16/01/843351601.db2.gz HNUDJAUMUGYAEY-UHFFFAOYSA-N 0 0 384.835 3.668 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000112307264 843351915 /nfs/dbraw/zinc/35/19/15/843351915.db2.gz IDUXTFBICMWTHQ-IAGOWNOFSA-N 0 0 388.920 3.880 10 0 GHAERN CCn1c(CN2CCCN(C(=O)c3cccs3)CC2)nc2cc(F)ccc21 ZINC000112351812 843353373 /nfs/dbraw/zinc/35/33/73/843353373.db2.gz ZKVYJPGNCKERHT-UHFFFAOYSA-N 0 0 386.496 3.605 10 0 GHAERN CC(=O)N(C[C@@H]1CCCN1C(=O)NC1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000333043646 843895465 /nfs/dbraw/zinc/89/54/65/843895465.db2.gz FSJZVWSZZMLLIW-NLPFYKDJSA-N 0 0 389.927 3.771 10 0 GHAERN C[C@H]1CN(C(=O)NC2CC(c3cccc(Cl)c3)C2)C[C@]2(CCCOC2)O1 ZINC000332968360 845098609 /nfs/dbraw/zinc/09/86/09/845098609.db2.gz YPHXWMXJKDKSHS-DSYYYZEGSA-N 0 0 378.900 3.566 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1=O ZINC000332976445 845157883 /nfs/dbraw/zinc/15/78/83/845157883.db2.gz KUWKADICCNAKCN-HOJAQTOUSA-N 0 0 384.520 3.594 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000248978613 845484392 /nfs/dbraw/zinc/48/43/92/845484392.db2.gz RSCMTBHEYQHHCY-YSTOQKLRSA-N 0 0 377.444 3.623 10 0 GHAERN COCCOc1cc(C)ccc1CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000151731458 845616541 /nfs/dbraw/zinc/61/65/41/845616541.db2.gz AFTRVNXOQFIRJC-QGZVFWFLSA-N 0 0 389.521 3.566 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 ZINC000151764100 845685467 /nfs/dbraw/zinc/68/54/67/845685467.db2.gz JJSYAJNJTKAQCZ-GJZGRUSLSA-N 0 0 399.457 3.572 10 0 GHAERN CC(C)C(=O)N1CCC(NC(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000105054414 845935289 /nfs/dbraw/zinc/93/52/89/845935289.db2.gz KYAJYPUWMPUQGU-UHFFFAOYSA-N 0 0 393.487 3.686 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CSc1nc2ccccc2s1 ZINC000152089134 846214915 /nfs/dbraw/zinc/21/49/15/846214915.db2.gz QQRBDCQZBFZILG-ZDUSSCGKSA-N 0 0 387.534 3.755 10 0 GHAERN O=C(CCc1ccc(F)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000152181494 846343648 /nfs/dbraw/zinc/34/36/48/846343648.db2.gz DOXBTKCVYRCYDH-UHFFFAOYSA-N 0 0 378.463 3.539 10 0 GHAERN CC(C)C1CCC(NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000152225925 846451761 /nfs/dbraw/zinc/45/17/61/846451761.db2.gz DKDWITNQGZZXBQ-VQCLRJIVSA-N 0 0 384.517 3.804 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc(C4(CC(C)C)CCCC4)n3)ccn2)CC1 ZINC000329593675 861728857 /nfs/dbraw/zinc/72/88/57/861728857.db2.gz USEUMAMOPPCYAP-UHFFFAOYSA-N 0 0 397.523 3.658 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C12CCCC2 ZINC000329604348 861751481 /nfs/dbraw/zinc/75/14/81/861751481.db2.gz YWRVJHZUDADFGG-MSOLQXFVSA-N 0 0 386.471 3.525 10 0 GHAERN Cc1cc(N2CCn3c(nnc3C3CC3)C2)c2cccc(OC(F)(F)F)c2n1 ZINC000329608690 861759758 /nfs/dbraw/zinc/75/97/58/861759758.db2.gz BRLIWHBFKQVLIO-UHFFFAOYSA-N 0 0 389.381 3.931 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000333623971 847275855 /nfs/dbraw/zinc/27/58/55/847275855.db2.gz GTQIQYNRJBDHAY-SFHVURJKSA-N 0 0 385.851 3.859 10 0 GHAERN Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333630766 847585918 /nfs/dbraw/zinc/58/59/18/847585918.db2.gz GNNYJRQXSIAOMH-YVSFHVDLSA-N 0 0 375.856 3.504 10 0 GHAERN C[C@@H]1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)[C@@H]1C ZINC000329628066 861818805 /nfs/dbraw/zinc/81/88/05/861818805.db2.gz UNNQKZKPKZBCON-ZBRFXRBCSA-N 0 0 376.545 3.610 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000117027099 848076202 /nfs/dbraw/zinc/07/62/02/848076202.db2.gz GHONURGYZIHDTR-LPHOPBHVSA-N 0 0 395.551 3.957 10 0 GHAERN CC(C)Cn1c(N2CCn3cnnc3[C@@H]2C)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329647741 861898362 /nfs/dbraw/zinc/89/83/62/861898362.db2.gz JHPLKIXQBTWAIZ-BZSISCHUSA-N 0 0 395.555 3.575 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(N4CCCCC4=O)c3)CCO2)o1 ZINC000153353900 848399403 /nfs/dbraw/zinc/39/94/03/848399403.db2.gz UPIIVEDHNKPNSH-LJQANCHMSA-N 0 0 383.448 3.710 10 0 GHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)NCCc1nnc2n1CCCC2 ZINC000588551767 848473255 /nfs/dbraw/zinc/47/32/55/848473255.db2.gz KFOHTLRKQXBTHR-QXMHVHEDSA-N 0 0 379.291 3.683 10 0 GHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000153471149 848531584 /nfs/dbraw/zinc/53/15/84/848531584.db2.gz NJWBOAJCCGMICN-UHFFFAOYSA-N 0 0 381.476 3.710 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)c3cnc(-c4cnn(C)c4)s3)C2)sc1C ZINC000329660699 861967156 /nfs/dbraw/zinc/96/71/56/861967156.db2.gz OETNUYBFHZTNHA-ZDUSSCGKSA-N 0 0 387.534 3.637 10 0 GHAERN CCOc1ccccc1C(F)(F)C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000153996219 849157533 /nfs/dbraw/zinc/15/75/33/849157533.db2.gz WEHQSEGJHUJRBN-CQSZACIVSA-N 0 0 378.423 3.543 10 0 GHAERN CC(C)C[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000154028629 849172602 /nfs/dbraw/zinc/17/26/02/849172602.db2.gz ZQIWRZQPEVCRQC-GJZGRUSLSA-N 0 0 384.517 3.758 10 0 GHAERN Cn1cc(CCC(=O)N2CCCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000154393540 849273603 /nfs/dbraw/zinc/27/36/03/849273603.db2.gz JVPYZZDZTDSYCW-UHFFFAOYSA-N 0 0 395.528 3.547 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3c2cnn3C)cc(Cl)c1OC ZINC000154633953 849339682 /nfs/dbraw/zinc/33/96/82/849339682.db2.gz CLAOHUCXTRZKED-FDMDGMSGSA-N 0 0 389.883 3.640 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)ccc1OC(F)F ZINC000154909129 849404046 /nfs/dbraw/zinc/40/40/46/849404046.db2.gz LPRYSJOUHVKFGU-TUPIDYKKSA-N 0 0 391.418 3.579 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000155416485 849524775 /nfs/dbraw/zinc/52/47/75/849524775.db2.gz QRZMXIOLCVQNAB-LJQANCHMSA-N 0 0 399.560 3.965 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(F)cc1F ZINC000155930159 849702110 /nfs/dbraw/zinc/70/21/10/849702110.db2.gz OMWFLPYGIQEAMK-KRWDZBQOSA-N 0 0 377.439 3.690 10 0 GHAERN Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771569 851198421 /nfs/dbraw/zinc/19/84/21/851198421.db2.gz ICHVLWWWPWWMGV-REWPJTCUSA-N 0 0 399.556 3.955 10 0 GHAERN C[C@H](NC(=O)NCCCN1CCCC1=O)c1ccc(Oc2ccccc2)cc1 ZINC000101616901 851756146 /nfs/dbraw/zinc/75/61/46/851756146.db2.gz DSTROGGFAJPBHJ-KRWDZBQOSA-N 0 0 381.476 3.852 10 0 GHAERN Brc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333867538 851789982 /nfs/dbraw/zinc/78/99/82/851789982.db2.gz TWECFWYBYHINMF-JONQDZQNSA-N 0 0 390.281 3.639 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)[C@H]1C ZINC000329747770 862286888 /nfs/dbraw/zinc/28/68/88/862286888.db2.gz SOYBDLNYBBJQQZ-BCYZHJNNSA-N 0 0 390.572 3.858 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCCn2ccc3ccccc32)CC1 ZINC000101765777 851875886 /nfs/dbraw/zinc/87/58/86/851875886.db2.gz MCPDMZZIOOEYET-SFHVURJKSA-N 0 0 398.551 3.614 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000329894589 862403664 /nfs/dbraw/zinc/40/36/64/862403664.db2.gz JZXKVEPZTLXHQG-CYBMUJFWSA-N 0 0 378.398 3.722 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334027895 853499398 /nfs/dbraw/zinc/49/93/98/853499398.db2.gz IRPMBGDIYVMRCT-LPMFXHHGSA-N 0 0 396.409 3.927 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171723812 853721268 /nfs/dbraw/zinc/72/12/68/853721268.db2.gz GACVYVFSHBTPLS-LSDHHAIUSA-N 0 0 389.546 3.606 10 0 GHAERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000328666740 854497000 /nfs/dbraw/zinc/49/70/00/854497000.db2.gz CZZKNSFXHLKWHK-SWLSCSKDSA-N 0 0 379.913 3.599 10 0 GHAERN Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC(c2nccs2)CC1 ZINC000328791754 854559026 /nfs/dbraw/zinc/55/90/26/854559026.db2.gz MFDNLIVEWKTMOQ-GJZGRUSLSA-N 0 0 375.542 3.574 10 0 GHAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000157788162 854926711 /nfs/dbraw/zinc/92/67/11/854926711.db2.gz CIAFCPVFBOEOPY-SGTLLEGYSA-N 0 0 377.282 3.698 10 0 GHAERN C[C@@H](NC(=O)NCC1CCC(C)(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000127205939 854943828 /nfs/dbraw/zinc/94/38/28/854943828.db2.gz JYPQGYDGWFYENS-CYBMUJFWSA-N 0 0 384.517 3.806 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1c(F)cccc1Cl ZINC000128790310 855132324 /nfs/dbraw/zinc/13/23/24/855132324.db2.gz UGSGXYCGCVVXQC-CYBMUJFWSA-N 0 0 378.879 3.938 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092220463 855542105 /nfs/dbraw/zinc/54/21/05/855542105.db2.gz ZKHDTUQJZIOSMG-KGLIPLIRSA-N 0 0 379.382 3.719 10 0 GHAERN CNC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000029163549 856024061 /nfs/dbraw/zinc/02/40/61/856024061.db2.gz RGAYMXCIFGPPJI-UHFFFAOYSA-N 0 0 382.395 3.803 10 0 GHAERN Cc1cccc(C)c1-n1nnnc1SCC1CCN(C(=O)CC(C)C)CC1 ZINC000184979704 856167101 /nfs/dbraw/zinc/16/71/01/856167101.db2.gz FRHVJHZDQLPRNS-UHFFFAOYSA-N 0 0 387.553 3.656 10 0 GHAERN CC1(C)CC(=O)c2cc(C(=O)N[C@H]3c4ccccc4CCC3(C)C)c(=O)[nH]c2C1 ZINC000156479403 856389292 /nfs/dbraw/zinc/38/92/92/856389292.db2.gz YXHSLDJVWWAOSV-FQEVSTJZSA-N 0 0 392.499 3.974 10 0 GHAERN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104910135 856446161 /nfs/dbraw/zinc/44/61/61/856446161.db2.gz KKCNIRVMCDOCMV-HNNXBMFYSA-N 0 0 388.261 3.837 10 0 GHAERN O=C(CCn1ccc2ccccc21)N1CCC(NC(=O)c2cccs2)CC1 ZINC000056441225 857053315 /nfs/dbraw/zinc/05/33/15/857053315.db2.gz UIPZHHIBVOOQKR-UHFFFAOYSA-N 0 0 381.501 3.514 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@@H]1c1ccco1 ZINC000172439786 857720952 /nfs/dbraw/zinc/72/09/52/857720952.db2.gz YAHKJUOCLXFCAA-IAGOWNOFSA-N 0 0 388.489 3.825 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ccccc2)CC1 ZINC000067388051 858610474 /nfs/dbraw/zinc/61/04/74/858610474.db2.gz PXSBLXVFBVJQIG-AZUAARDMSA-N 0 0 398.528 3.884 10 0 GHAERN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130111813 859372075 /nfs/dbraw/zinc/37/20/75/859372075.db2.gz WZNCJBXIGITAJA-IAGOWNOFSA-N 0 0 388.533 3.641 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000135302361 859498270 /nfs/dbraw/zinc/49/82/70/859498270.db2.gz BCGIPFZLHIBNIQ-FVQBIDKESA-N 0 0 391.302 3.672 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163301663 859874347 /nfs/dbraw/zinc/87/43/47/859874347.db2.gz RLWVUVCHRVUREY-YJBOKZPZSA-N 0 0 383.471 3.788 10 0 GHAERN CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2ccccc2c1=O ZINC000021844961 860245861 /nfs/dbraw/zinc/24/58/61/860245861.db2.gz JOXHJNPPHNCELY-MRXNPFEDSA-N 0 0 399.541 3.934 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000170895425 860420936 /nfs/dbraw/zinc/42/09/36/860420936.db2.gz CQYIWBJUUQOSFQ-WBVHZDCISA-N 0 0 386.496 3.957 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)C12CCCC2 ZINC000172637648 860435185 /nfs/dbraw/zinc/43/51/85/860435185.db2.gz LITSESBEKRCNMX-MSOLQXFVSA-N 0 0 388.533 3.931 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)NCCCNC(=O)OC(C)(C)C)n1 ZINC000103570822 881569768 /nfs/dbraw/zinc/56/97/68/881569768.db2.gz TZEHDLKFBIOROF-UHFFFAOYSA-N 0 0 387.484 3.525 10 0 GHAERN COc1ccc(-c2cnc(CN3C(=O)N[C@](C)(c4ccccc4C)C3=O)o2)cc1 ZINC000102715862 860829445 /nfs/dbraw/zinc/82/94/45/860829445.db2.gz XYVOJQXZBCECSX-JOCHJYFZSA-N 0 0 391.427 3.626 10 0 GHAERN Cc1ccc(-c2noc([C@@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020960 860951793 /nfs/dbraw/zinc/95/17/93/860951793.db2.gz HVNSFSYZYMNMGT-IUODEOHRSA-N 0 0 383.427 3.995 10 0 GHAERN CC(C)(CNC(=O)[C@H]1CCCN1C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000103037279 863483701 /nfs/dbraw/zinc/48/37/01/863483701.db2.gz DOOAXOJDZAWOBH-GOSISDBHSA-N 0 0 388.508 3.515 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CSCC(=O)Nc3ccc(F)cc3)c21 ZINC000103204964 863909923 /nfs/dbraw/zinc/90/99/23/863909923.db2.gz KDLGNLAWPFDZOC-UHFFFAOYSA-N 0 0 399.491 3.646 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)NC(=O)CS4)c21 ZINC000103233841 863917267 /nfs/dbraw/zinc/91/72/67/863917267.db2.gz ZXZYVGDHMYOJEO-UHFFFAOYSA-N 0 0 380.473 3.885 10 0 GHAERN CC(=O)N[C@@H](CC(=O)NCCc1c[nH]c2cccc(C)c12)c1c(F)cccc1F ZINC000103127589 863926131 /nfs/dbraw/zinc/92/61/31/863926131.db2.gz IIOYMMHOVBQXTG-IBGZPJMESA-N 0 0 399.441 3.681 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(F)c(Cl)c1 ZINC000101582134 864231879 /nfs/dbraw/zinc/23/18/79/864231879.db2.gz CGBLFOGDKGYTOQ-UHFFFAOYSA-N 0 0 398.818 3.794 10 0 GHAERN CCN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C1CCCCC1 ZINC000104564741 864339132 /nfs/dbraw/zinc/33/91/32/864339132.db2.gz XPHKYGWPDVOJQV-UHFFFAOYSA-N 0 0 381.402 3.540 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cc(C)nn1Cc1ccccc1 ZINC000104768938 864628573 /nfs/dbraw/zinc/62/85/73/864628573.db2.gz GTPRENOBLMLUDI-UHFFFAOYSA-N 0 0 378.476 3.955 10 0 GHAERN CCc1cc(N2CCC[C@@H]2c2nncn2CC(C)C)nc(-c2ccncc2)n1 ZINC000301347688 865303055 /nfs/dbraw/zinc/30/30/55/865303055.db2.gz HNNROTKNXLBBND-GOSISDBHSA-N 0 0 377.496 3.690 10 0 GHAERN O=C(CCC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1)c1ccccc1 ZINC000090678210 881864749 /nfs/dbraw/zinc/86/47/49/881864749.db2.gz XMPRXSBULFHABN-UHFFFAOYSA-N 0 0 389.455 3.663 10 0 GHAERN CC(=O)N1CC[C@H](Nc2cncc(Br)c2)c2ccc(F)cc2C1 ZINC000302203881 865765158 /nfs/dbraw/zinc/76/51/58/865765158.db2.gz URXJXBLKBIBMAP-KRWDZBQOSA-N 0 0 378.245 3.889 10 0 GHAERN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000112122027 866718285 /nfs/dbraw/zinc/71/82/85/866718285.db2.gz GRQLOKGGDLFUGM-INIZCTEOSA-N 0 0 390.915 3.903 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895109 866760672 /nfs/dbraw/zinc/76/06/72/866760672.db2.gz AFDGHRCJCUZCFO-LJQANCHMSA-N 0 0 378.480 3.980 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1c1cc3ccccc3[nH]1)CC2 ZINC000114978239 866776201 /nfs/dbraw/zinc/77/62/01/866776201.db2.gz MERMVVOPVFYMJN-APWZRJJASA-N 0 0 392.507 3.573 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cc1OCC ZINC000171245082 882090830 /nfs/dbraw/zinc/09/08/30/882090830.db2.gz OZJMUOYHFULTNH-CKDFRHGISA-N 0 0 399.491 3.670 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000171254894 882091575 /nfs/dbraw/zinc/09/15/75/882091575.db2.gz AUMFGHLSWAAGFD-VOTSOKGWSA-N 0 0 386.864 3.976 10 0 GHAERN Cn1ccnc1SCc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)o1 ZINC000171642452 882120084 /nfs/dbraw/zinc/12/00/84/882120084.db2.gz YNIKMMQOYLQWNU-ZDUSSCGKSA-N 0 0 388.518 3.782 10 0 GHAERN O=C(c1ccc(I)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171645655 882122110 /nfs/dbraw/zinc/12/21/10/882122110.db2.gz FRHFDNNYDKUOAP-LBPRGKRZSA-N 0 0 398.269 3.768 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171610716 882145995 /nfs/dbraw/zinc/14/59/95/882145995.db2.gz GHTHYYFARXAVLY-QHCPKHFHSA-N 0 0 389.499 3.827 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c(F)c1 ZINC000151581019 868074108 /nfs/dbraw/zinc/07/41/08/868074108.db2.gz GSPBDBSHNUUJFS-MWTRTKDXSA-N 0 0 397.494 3.576 10 0 GHAERN Cc1ccc(C)n1-c1nc(CC(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000171723716 882156248 /nfs/dbraw/zinc/15/62/48/882156248.db2.gz AWIWZLBGQLMOCK-HNNXBMFYSA-N 0 0 386.546 3.956 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1nc(C)cs1 ZINC000171719765 882156361 /nfs/dbraw/zinc/15/63/61/882156361.db2.gz SQKBELQBKUOCBF-LSDHHAIUSA-N 0 0 384.509 3.535 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccccc3)CC2)n1 ZINC000171803147 882161004 /nfs/dbraw/zinc/16/10/04/882161004.db2.gz VCQJBUHZBYDMHB-QUCCMNQESA-N 0 0 397.544 3.767 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)N2CC=C(c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000172092549 882168853 /nfs/dbraw/zinc/16/88/53/882168853.db2.gz WTLOVBISOHOSDT-GHTZIAJQSA-N 0 0 380.513 3.974 10 0 GHAERN CC(=O)Nn1c(C)cc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)c1C ZINC000065373627 868722258 /nfs/dbraw/zinc/72/22/58/868722258.db2.gz LCEGKHQGEWCNQM-LJQANCHMSA-N 0 0 378.476 3.904 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000172638292 882280933 /nfs/dbraw/zinc/28/09/33/882280933.db2.gz JGQFPQLABSQZOV-YLJYHZDGSA-N 0 0 388.895 3.589 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172496747 882290232 /nfs/dbraw/zinc/29/02/32/882290232.db2.gz LWCZIFIPLUNMQS-APWZRJJASA-N 0 0 396.834 3.702 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172706053 882300438 /nfs/dbraw/zinc/30/04/38/882300438.db2.gz DLDGHRPWPUVDAS-MSOLQXFVSA-N 0 0 399.491 3.569 10 0 GHAERN CCO[C@H](C)c1noc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000172841313 882312458 /nfs/dbraw/zinc/31/24/58/882312458.db2.gz RQRKJFLYZPNXAQ-RPHGYIDUSA-N 0 0 395.868 3.924 10 0 GHAERN CC(C)COc1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172836406 882312853 /nfs/dbraw/zinc/31/28/53/882312853.db2.gz HAUKHLMJFIHSQY-UHFFFAOYSA-N 0 0 381.476 3.607 10 0 GHAERN CCCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c(C)c1 ZINC000172862880 882315617 /nfs/dbraw/zinc/31/56/17/882315617.db2.gz ZPEJOPOTBKSMCI-UHFFFAOYSA-N 0 0 381.476 3.670 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@@H]2c2ccncc2)cccc1N1CCNC1=O ZINC000173098127 882320998 /nfs/dbraw/zinc/32/09/98/882320998.db2.gz WAIFCTPHIUUBJU-HXUWFJFHSA-N 0 0 378.476 3.677 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)c1ccccc1Sc1ccccc1 ZINC000173098895 882321155 /nfs/dbraw/zinc/32/11/55/882321155.db2.gz MWHJPAXEDDAYGX-UHFFFAOYSA-N 0 0 387.468 3.744 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)C[C@H](C)C(=O)c3cccc(F)c3)CC2)nc1 ZINC000173173426 882338083 /nfs/dbraw/zinc/33/80/83/882338083.db2.gz KBYNQGIQENZHSD-INIZCTEOSA-N 0 0 383.467 3.523 10 0 GHAERN CC[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C(C)(C)c1ccccc1 ZINC000173212636 882340905 /nfs/dbraw/zinc/34/09/05/882340905.db2.gz HOHJEGAYLYCZIV-NRFANRHFSA-N 0 0 393.531 3.806 10 0 GHAERN CCC[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173245799 882343462 /nfs/dbraw/zinc/34/34/62/882343462.db2.gz CVNSUUSPPQZLGK-NRFANRHFSA-N 0 0 393.531 3.852 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1=O ZINC000153132066 869849799 /nfs/dbraw/zinc/84/97/99/869849799.db2.gz HOTXBFGDAPHOAA-AEFFLSMTSA-N 0 0 387.483 3.662 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@](=O)Cc2ccc(Cl)cc2)cc1 ZINC000173141037 882351939 /nfs/dbraw/zinc/35/19/39/882351939.db2.gz XMJIYHIYPKVKNE-AFMDSPMNSA-N 0 0 391.920 3.961 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)cc1 ZINC000173307059 882353167 /nfs/dbraw/zinc/35/31/67/882353167.db2.gz KUTGSQZOCUEZBL-QFBILLFUSA-N 0 0 391.475 3.745 10 0 GHAERN Cc1csc([C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C2CC2)n1 ZINC000173369268 882356906 /nfs/dbraw/zinc/35/69/06/882356906.db2.gz NFOCGYMQBOOMMG-SFHVURJKSA-N 0 0 385.537 3.574 10 0 GHAERN CN(C)c1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c2ccccc2n1 ZINC000173662112 882391353 /nfs/dbraw/zinc/39/13/53/882391353.db2.gz PHQLACADGNBQBZ-OAHLLOKOSA-N 0 0 395.532 3.847 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2noc(C(C)C)n2)cc1 ZINC000173816636 882406245 /nfs/dbraw/zinc/40/62/45/882406245.db2.gz IMYVTQFQXBKDJP-MRXNPFEDSA-N 0 0 375.494 3.799 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N(Cc1ccccc1)C1CCCCC1 ZINC000173804206 882406390 /nfs/dbraw/zinc/40/63/90/882406390.db2.gz ZIPQKTNPUUQMPY-UHFFFAOYSA-N 0 0 390.491 3.707 10 0 GHAERN CNC(=O)c1ccc(CSCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000173819231 882406465 /nfs/dbraw/zinc/40/64/65/882406465.db2.gz QZDQGNURMACPQY-HXUWFJFHSA-N 0 0 398.528 3.652 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c3c2CCC3)c(C)c1 ZINC000106771397 870620209 /nfs/dbraw/zinc/62/02/09/870620209.db2.gz NYVQJQWMNFEKKV-HXUWFJFHSA-N 0 0 389.503 3.689 10 0 GHAERN CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@H](c3nccs3)C2)s1 ZINC000092831895 882441219 /nfs/dbraw/zinc/44/12/19/882441219.db2.gz HGIJWYMACXBWSD-HNNXBMFYSA-N 0 0 386.546 3.906 10 0 GHAERN CC[C@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1F ZINC000174365673 882458660 /nfs/dbraw/zinc/45/86/60/882458660.db2.gz BSXWXAOSPCYLSH-IBGZPJMESA-N 0 0 388.414 3.907 10 0 GHAERN O=C(Nc1ccccc1CC(F)(F)F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000174435288 882469003 /nfs/dbraw/zinc/46/90/03/882469003.db2.gz LJUDJKRUEFGQKM-UHFFFAOYSA-N 0 0 391.393 3.677 10 0 GHAERN Cc1nc(-c2ccccc2)oc1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000174811126 882504787 /nfs/dbraw/zinc/50/47/87/882504787.db2.gz YNDSPDXSZGDCMM-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(Cc2ccccc2)no1 ZINC000175023445 882515700 /nfs/dbraw/zinc/51/57/00/882515700.db2.gz GOFDXXQVTDYRLM-GOEBONIOSA-N 0 0 397.504 3.767 10 0 GHAERN Fc1cccc(C[C@H]2CCCN2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264063 871559072 /nfs/dbraw/zinc/55/90/72/871559072.db2.gz KLGYWMVEZFRWDB-HXUWFJFHSA-N 0 0 397.523 3.855 10 0 GHAERN Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1ncncc1Cl ZINC000175155389 882529843 /nfs/dbraw/zinc/52/98/43/882529843.db2.gz YDCOLKIEKKHULK-STQMWFEESA-N 0 0 386.883 3.809 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cc21 ZINC000174860634 882532666 /nfs/dbraw/zinc/53/26/66/882532666.db2.gz WLODPZCQZCPODL-HNNXBMFYSA-N 0 0 399.520 3.647 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)nc1 ZINC000174853421 882532756 /nfs/dbraw/zinc/53/27/56/882532756.db2.gz SJVQJMYPNNPTOE-ZBFHGGJFSA-N 0 0 384.446 3.779 10 0 GHAERN O=C(N[C@H](CCCO)c1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175259559 882562901 /nfs/dbraw/zinc/56/29/01/882562901.db2.gz UNONNGYNCXZSOV-HXUWFJFHSA-N 0 0 385.483 3.925 10 0 GHAERN CCCn1ccc2ccc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)cc21 ZINC000175281819 882564865 /nfs/dbraw/zinc/56/48/65/882564865.db2.gz WHPDFFMKRPHNAH-UHFFFAOYSA-N 0 0 390.487 3.937 10 0 GHAERN O=C(Nc1ccc(N2CCOC2=O)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175440576 882580507 /nfs/dbraw/zinc/58/05/07/882580507.db2.gz WJWVHSYUBCGCEW-UHFFFAOYSA-N 0 0 398.438 3.891 10 0 GHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175490386 882585711 /nfs/dbraw/zinc/58/57/11/882585711.db2.gz MYCJEUYHUUEOHM-WEBJUUICSA-N 0 0 379.884 3.548 10 0 GHAERN CC(C)COC(=O)N1CCCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000101776543 872250309 /nfs/dbraw/zinc/25/03/09/872250309.db2.gz NCNFPQQAYGPBGR-FQEVSTJZSA-N 0 0 399.491 3.879 10 0 GHAERN O=C(NCCCc1ccc(Cl)cc1Cl)N1CCC(n2cncn2)CC1 ZINC000175786482 882625748 /nfs/dbraw/zinc/62/57/48/882625748.db2.gz XZYJCAQTXVQWOG-UHFFFAOYSA-N 0 0 382.295 3.564 10 0 GHAERN O=C(Nc1ccccc1CN1CCSCC1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000175791248 882627658 /nfs/dbraw/zinc/62/76/58/882627658.db2.gz JHNYKZUOGHCQRN-UXHICEINSA-N 0 0 399.564 3.737 10 0 GHAERN COc1ccc(-c2ccc(CNC(=O)N3CCC(n4cncn4)CC3)cc2)cc1 ZINC000176066505 882663098 /nfs/dbraw/zinc/66/30/98/882663098.db2.gz CLEYYIXEDFUKIS-UHFFFAOYSA-N 0 0 391.475 3.500 10 0 GHAERN CC(C)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000176086628 882664745 /nfs/dbraw/zinc/66/47/45/882664745.db2.gz BPDNLTGBHPFOCZ-HUUCEWRRSA-N 0 0 384.517 3.758 10 0 GHAERN Cc1c(NS(=O)(=O)c2cccc3ncccc32)cccc1C(=O)N1CCCC1 ZINC000102320200 872932869 /nfs/dbraw/zinc/93/28/69/872932869.db2.gz SQRPFAYMYWMYBD-UHFFFAOYSA-N 0 0 395.484 3.580 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1ccc(F)c(F)c1 ZINC000264283612 872950092 /nfs/dbraw/zinc/95/00/92/872950092.db2.gz SJYAAYIVKKWNHY-OAHLLOKOSA-N 0 0 393.478 3.706 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)NCC3CCC4(CC3)OCCO4)cs2)cc1 ZINC000176510056 882702031 /nfs/dbraw/zinc/70/20/31/882702031.db2.gz QQJHDUYOFIOCHF-UHFFFAOYSA-N 0 0 386.517 3.711 10 0 GHAERN CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1cccc2ncccc21 ZINC000102660139 873394669 /nfs/dbraw/zinc/39/46/69/873394669.db2.gz KFDHVSJFSYWRNX-INIZCTEOSA-N 0 0 397.500 3.663 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000176640327 882721951 /nfs/dbraw/zinc/72/19/51/882721951.db2.gz PGOGEUKIEAGYBB-FOCLMDBBSA-N 0 0 384.501 3.535 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)COCC3CC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744304 873525206 /nfs/dbraw/zinc/52/52/06/873525206.db2.gz PQLUEPZJYMDHPU-BETUJISGSA-N 0 0 386.414 3.684 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)CC2)n1 ZINC000116666601 873614123 /nfs/dbraw/zinc/61/41/23/873614123.db2.gz NCNHDVRALXNCFU-UNMCSNQZSA-N 0 0 379.504 3.643 10 0 GHAERN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000177395961 882792291 /nfs/dbraw/zinc/79/22/91/882792291.db2.gz QMQQQTGWONUTLK-LSDHHAIUSA-N 0 0 398.898 3.649 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2Cl)C1=O ZINC000004305629 874215652 /nfs/dbraw/zinc/21/56/52/874215652.db2.gz COLNNDWZWUSSJR-NRFANRHFSA-N 0 0 399.878 3.753 10 0 GHAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178055706 882860002 /nfs/dbraw/zinc/86/00/02/882860002.db2.gz QEZRRIMRIUVTQF-QGZVFWFLSA-N 0 0 392.459 3.950 10 0 GHAERN COc1ccc([C@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2nccn2C)cc1 ZINC000119277750 875044483 /nfs/dbraw/zinc/04/44/83/875044483.db2.gz KLMKGCASTLTCMO-FQEVSTJZSA-N 0 0 393.491 3.714 10 0 GHAERN Cc1cc(O)ccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000153919286 875156693 /nfs/dbraw/zinc/15/66/93/875156693.db2.gz NAUQOXQKWVXVJK-SXYIGIQMSA-N 0 0 382.504 3.847 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178342110 882905305 /nfs/dbraw/zinc/90/53/05/882905305.db2.gz FHPRPGVJUWJOKU-UWJYYQICSA-N 0 0 382.847 3.702 10 0 GHAERN CCC(=O)c1cccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000178412121 882912455 /nfs/dbraw/zinc/91/24/55/882912455.db2.gz OYVHXGXXHYDKAH-MRXNPFEDSA-N 0 0 377.448 3.734 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccccc2OCC(F)F)c2ccccc2)[nH]1 ZINC000120087817 875446103 /nfs/dbraw/zinc/44/61/03/875446103.db2.gz JZXOBGRFZQHZSM-KRWDZBQOSA-N 0 0 387.390 3.668 10 0 GHAERN O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC[C@@H](c2nccs2)C1 ZINC000179366140 882966156 /nfs/dbraw/zinc/96/61/56/882966156.db2.gz IOIDEANWOLMROA-MRXNPFEDSA-N 0 0 389.484 3.897 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(C(=O)c1nn(CC(C)C)cc1C(F)F)C2 ZINC000179410904 882970523 /nfs/dbraw/zinc/97/05/23/882970523.db2.gz OSLNAABZNWHMFZ-UHFFFAOYSA-N 0 0 390.434 3.634 10 0 GHAERN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@H]2c2cccs2)n1C ZINC000021846541 876061338 /nfs/dbraw/zinc/06/13/38/876061338.db2.gz MNLNQJIKCPBDPZ-AWEZNQCLSA-N 0 0 388.518 3.901 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000120552276 876103114 /nfs/dbraw/zinc/10/31/14/876103114.db2.gz FZNVLKNLHKEDAG-QGZVFWFLSA-N 0 0 394.500 3.951 10 0 GHAERN CC(C)c1noc(CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000179462165 883000075 /nfs/dbraw/zinc/00/00/75/883000075.db2.gz QHPAQCFESKULMA-LRDDRELGSA-N 0 0 380.286 3.918 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000122014521 878225814 /nfs/dbraw/zinc/22/58/14/878225814.db2.gz BDAKBGQNTZHVJA-CRAIPNDOSA-N 0 0 380.444 3.670 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122035556 878238851 /nfs/dbraw/zinc/23/88/51/878238851.db2.gz UYGXHEOECGGKKW-NVXWUHKLSA-N 0 0 387.501 3.507 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)cc1 ZINC000122114373 878380373 /nfs/dbraw/zinc/38/03/73/878380373.db2.gz OEMNQETUOXIXCM-CZUORRHYSA-N 0 0 382.485 3.758 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@@H](C)[C@@H](C)C3CCCCC3)CC2)n1 ZINC000175390430 879147304 /nfs/dbraw/zinc/14/73/04/879147304.db2.gz MMKNLJJYMXAVMR-CABCVRRESA-N 0 0 379.574 3.673 10 0 GHAERN C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000285434316 879314870 /nfs/dbraw/zinc/31/48/70/879314870.db2.gz PAVHTEVPNHIMGH-HOIFWPIMSA-N 0 0 399.512 3.700 10 0 GHAERN Cc1ccc(OC2CCN([C@@H](C)C(=O)Nc3c(F)cccc3F)CC2)nc1 ZINC000181541757 883162405 /nfs/dbraw/zinc/16/24/05/883162405.db2.gz CKIUUDQVWPAKSP-AWEZNQCLSA-N 0 0 375.419 3.539 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000182205884 883211914 /nfs/dbraw/zinc/21/19/14/883211914.db2.gz QLNVKAKLRDCVGU-GOSISDBHSA-N 0 0 378.457 3.622 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000182367113 883217881 /nfs/dbraw/zinc/21/78/81/883217881.db2.gz CSYSFEQQEYITLA-IEBWSBKVSA-N 0 0 395.507 3.779 10 0 GHAERN COc1ccc(-c2nc(CN3CCCC[C@H]3c3nc[nH]n3)cs2)cc1OC ZINC000182718202 883231538 /nfs/dbraw/zinc/23/15/38/883231538.db2.gz AKUOVTSTPAQYMY-HNNXBMFYSA-N 0 0 385.493 3.673 10 0 GHAERN CCOCCOc1c(Cl)cccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183077210 883259405 /nfs/dbraw/zinc/25/94/05/883259405.db2.gz YYAAHDCEJGVQPX-HNNXBMFYSA-N 0 0 393.875 3.633 10 0 GHAERN COc1ncnc2c1CN(C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)CC2 ZINC000183466794 883265557 /nfs/dbraw/zinc/26/55/57/883265557.db2.gz RQKQGRJLUXSCAT-UHFFFAOYSA-N 0 0 392.406 3.531 10 0 GHAERN CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)c1ncccc1Br ZINC000183440901 883266107 /nfs/dbraw/zinc/26/61/07/883266107.db2.gz DVFLVQUJSVPCPA-UHFFFAOYSA-N 0 0 390.212 3.844 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)n1 ZINC000183503684 883268466 /nfs/dbraw/zinc/26/84/66/883268466.db2.gz LXKWIKBDHYYXDA-OXJNMPFZSA-N 0 0 379.508 3.547 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)NC2CCN(c3cccs3)CC2)cc1F ZINC000183573172 883270928 /nfs/dbraw/zinc/27/09/28/883270928.db2.gz GVQBMXUTFRZZRJ-UHFFFAOYSA-N 0 0 389.496 3.734 10 0 GHAERN Cc1[nH]cc(C(=O)N2CCCC[C@H]2c2nccs2)c(=O)c1Br ZINC000183219337 883272232 /nfs/dbraw/zinc/27/22/32/883272232.db2.gz JIBOWSLUJPPEMF-NSHDSACASA-N 0 0 382.283 3.682 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CCO1 ZINC000183750380 883284610 /nfs/dbraw/zinc/28/46/10/883284610.db2.gz PPSNBPKXBSGNQU-OTWHNJEPSA-N 0 0 399.539 3.602 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC(Cn3cccn3)CC2)c1C ZINC000184022462 883300242 /nfs/dbraw/zinc/30/02/42/883300242.db2.gz SQYCDQXRYRYWED-UHFFFAOYSA-N 0 0 390.871 3.576 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000184036064 883301827 /nfs/dbraw/zinc/30/18/27/883301827.db2.gz XZKRYAVSXHTLSL-QFIPXVFZSA-N 0 0 397.494 3.778 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000184036046 883302053 /nfs/dbraw/zinc/30/20/53/883302053.db2.gz XZKRYAVSXHTLSL-JOCHJYFZSA-N 0 0 397.494 3.778 10 0 GHAERN Cc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1OC(F)F ZINC000184108236 883319656 /nfs/dbraw/zinc/31/96/56/883319656.db2.gz ZCJSMKIYTAMAFW-UHFFFAOYSA-N 0 0 376.407 3.736 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C/C=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184162288 883326143 /nfs/dbraw/zinc/32/61/43/883326143.db2.gz FKGADKVVIBTWDZ-GMKGHPLGSA-N 0 0 384.426 3.978 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 ZINC000184242578 883338915 /nfs/dbraw/zinc/33/89/15/883338915.db2.gz BNRPTOCBPGTGLL-UHFFFAOYSA-N 0 0 398.507 3.701 10 0 GHAERN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000184807063 883382210 /nfs/dbraw/zinc/38/22/10/883382210.db2.gz GKVGYLRKZLDEFO-LRDDRELGSA-N 0 0 395.431 3.693 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000184822840 883383946 /nfs/dbraw/zinc/38/39/46/883383946.db2.gz LXMPRFAGSOMIQN-FUHWJXTLSA-N 0 0 375.513 3.556 10 0 GHAERN Cc1cccc(-c2noc(CS(=O)(=O)CCC(Cl)(Cl)Cl)n2)c1 ZINC000185188483 883414680 /nfs/dbraw/zinc/41/46/80/883414680.db2.gz OFTREOHGSIIVJW-UHFFFAOYSA-N 0 0 383.684 3.720 10 0 GHAERN CC[C@@]1(C)CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185246824 883429572 /nfs/dbraw/zinc/42/95/72/883429572.db2.gz OUTRZRHQRCPGPJ-CTNGQTDRSA-N 0 0 375.488 3.841 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccc(F)cc2C1 ZINC000185500153 883463232 /nfs/dbraw/zinc/46/32/32/883463232.db2.gz DKPCCWNUQYQZOP-JOCHJYFZSA-N 0 0 393.462 3.849 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccccc2OC(F)F)c2ccc(F)cc2C1 ZINC000185517157 883548800 /nfs/dbraw/zinc/54/88/00/883548800.db2.gz XRESLKAZIKLQTA-QGZVFWFLSA-N 0 0 392.377 3.650 10 0 GHAERN CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185535551 883551456 /nfs/dbraw/zinc/55/14/56/883551456.db2.gz SRAUVUYMEFLIDV-OAQYLSRUSA-N 0 0 397.450 3.952 10 0 GHAERN CC[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000185540213 883552934 /nfs/dbraw/zinc/55/29/34/883552934.db2.gz MZFAWSYREZNBDL-IFMALSPDSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)c2ccc(F)cc2C1 ZINC000185556391 883555360 /nfs/dbraw/zinc/55/53/60/883555360.db2.gz BWXRDXOWQYFUQB-LJQANCHMSA-N 0 0 393.418 3.704 10 0 GHAERN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)c(C)o1 ZINC000055807738 883571804 /nfs/dbraw/zinc/57/18/04/883571804.db2.gz FTPPMOWHDOJUPK-HOCLYGCPSA-N 0 0 386.414 3.550 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(O)(c3ccccc3)CC2)n1 ZINC000185862696 883596008 /nfs/dbraw/zinc/59/60/08/883596008.db2.gz IREMEKZQFYDWAU-UHFFFAOYSA-N 0 0 377.435 3.601 10 0 GHAERN CC(C)(C)OCc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)no1 ZINC000185862304 883596139 /nfs/dbraw/zinc/59/61/39/883596139.db2.gz MQFGEBBJKRNZIX-UHFFFAOYSA-N 0 0 375.444 3.846 10 0 GHAERN Cc1nccn1-c1ccc([C@H](C)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243920 883624962 /nfs/dbraw/zinc/62/49/62/883624962.db2.gz XVWKXGVPFLXDDZ-MGPUTAFESA-N 0 0 381.501 3.750 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000186317692 883632419 /nfs/dbraw/zinc/63/24/19/883632419.db2.gz QAZXVMDHKSOAHJ-OAQYLSRUSA-N 0 0 381.451 3.795 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)ccc2NC1=O ZINC000186609546 883673849 /nfs/dbraw/zinc/67/38/49/883673849.db2.gz GQJTZDPMRALIBJ-JXFKEZNVSA-N 0 0 394.475 3.953 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(-n2cccn2)cc1 ZINC000186674182 883686117 /nfs/dbraw/zinc/68/61/17/883686117.db2.gz FKOSCDCCTMJBDE-CQSZACIVSA-N 0 0 390.447 3.732 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2ncc(Br)cc2F)c2ccccc2)[nH]1 ZINC000187149690 883752775 /nfs/dbraw/zinc/75/27/75/883752775.db2.gz UMHJDOUFYZUTEF-QFYYESIMSA-N 0 0 390.260 3.850 10 0 GHAERN C[C@@H](NC(=O)c1cc(Br)ncc1Cl)[C@H]1COc2ccccc21 ZINC000187664696 883806508 /nfs/dbraw/zinc/80/65/08/883806508.db2.gz BTHDMMDDOONHCE-BXKDBHETSA-N 0 0 381.657 3.792 10 0 GHAERN O=C(N[C@H]1CCCOc2c(F)cccc21)N1CCC(Nc2nccs2)CC1 ZINC000187779271 883807370 /nfs/dbraw/zinc/80/73/70/883807370.db2.gz RQULHRCRHNCSHD-INIZCTEOSA-N 0 0 390.484 3.782 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188931640 883885376 /nfs/dbraw/zinc/88/53/76/883885376.db2.gz YHRCJKVTPAFMLX-UHFFFAOYSA-N 0 0 397.508 3.530 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccsc2)c2ccc(F)cc2C1 ZINC000189146943 883908842 /nfs/dbraw/zinc/90/88/42/883908842.db2.gz FBNIOHMDNZZKTN-GOSISDBHSA-N 0 0 398.463 3.501 10 0 GHAERN CCN1C(=O)CCc2cc(NC(=O)N3CCC(Nc4nccs4)CC3)ccc21 ZINC000189371413 883942121 /nfs/dbraw/zinc/94/21/21/883942121.db2.gz VQMDYRXKHFYUJK-UHFFFAOYSA-N 0 0 399.520 3.551 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000189634729 883975188 /nfs/dbraw/zinc/97/51/88/883975188.db2.gz NQXGZKGZVOSUEL-UHFFFAOYSA-N 0 0 393.285 3.566 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N1CC2(CCOCC2)c2ccccc21 ZINC000189721158 884001618 /nfs/dbraw/zinc/00/16/18/884001618.db2.gz GOPUZPVJRLXSQW-UHFFFAOYSA-N 0 0 397.544 3.842 10 0 GHAERN O=C(CCc1nc(-c2cccs2)no1)N1CC2(CCOCC2)c2ccccc21 ZINC000189804366 884012408 /nfs/dbraw/zinc/01/24/08/884012408.db2.gz JWLUCIGCDHMZEL-UHFFFAOYSA-N 0 0 395.484 3.826 10 0 GHAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CC2(CCOCC2)c2ccccc21 ZINC000189835865 884016153 /nfs/dbraw/zinc/01/61/53/884016153.db2.gz IZMOPVQHSRHLBO-UHFFFAOYSA-N 0 0 395.484 3.826 10 0 GHAERN COc1ccc(-c2noc(CN3CCC[C@H]3c3csc(C)n3)n2)c(OC)c1 ZINC000189836497 884016558 /nfs/dbraw/zinc/01/65/58/884016558.db2.gz NSEBFEQTFXFROB-INIZCTEOSA-N 0 0 386.477 3.856 10 0 GHAERN COCCOCc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F ZINC000189860006 884017065 /nfs/dbraw/zinc/01/70/65/884017065.db2.gz PECMPWIWVZDZJE-UHFFFAOYSA-N 0 0 399.462 3.697 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189856109 884017250 /nfs/dbraw/zinc/01/72/50/884017250.db2.gz WCXMOPUAVAZZCU-VQIMIIECSA-N 0 0 390.483 3.990 10 0 GHAERN COCCCOc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189860829 884018697 /nfs/dbraw/zinc/01/86/97/884018697.db2.gz UXHZGKNPOMGUNY-UHFFFAOYSA-N 0 0 381.472 3.811 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)cc1F ZINC000190040720 884045110 /nfs/dbraw/zinc/04/51/10/884045110.db2.gz HVXASXZHHARTHV-UHFFFAOYSA-N 0 0 383.423 3.801 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190240134 884060644 /nfs/dbraw/zinc/06/06/44/884060644.db2.gz WETLXPIJUKMCSB-VJANTYMQSA-N 0 0 388.508 3.574 10 0 GHAERN O=C(c1ccccc1Cn1cncn1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190273602 884062564 /nfs/dbraw/zinc/06/25/64/884062564.db2.gz IFSZHBGPDFWISG-OAHLLOKOSA-N 0 0 382.414 3.624 10 0 GHAERN O=C(c1cccc(N2CCOC2=O)c1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190274883 884062697 /nfs/dbraw/zinc/06/26/97/884062697.db2.gz JNMSBPAWYATKCZ-OAHLLOKOSA-N 0 0 386.398 3.941 10 0 GHAERN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)N1CCC[C@]12CCOC2=O ZINC000190328768 884067913 /nfs/dbraw/zinc/06/79/13/884067913.db2.gz CNLGNRJJLKVIKS-QFBILLFUSA-N 0 0 390.892 3.982 10 0 GHAERN Cc1noc2nc(C(C)C)cc(C(=O)N3CCC(Nc4nccs4)CC3)c12 ZINC000190374687 884072699 /nfs/dbraw/zinc/07/26/99/884072699.db2.gz FRZJGMMOTQJKJP-UHFFFAOYSA-N 0 0 385.493 3.828 10 0 GHAERN CC(C)(C)Oc1cccc(CCC(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000190420995 884079306 /nfs/dbraw/zinc/07/93/06/884079306.db2.gz XUUCGDJBINLDIJ-UHFFFAOYSA-N 0 0 388.537 3.751 10 0 GHAERN O=C(CCc1cccc(Br)c1)N1CCC(Nc2nccs2)CC1 ZINC000190429481 884080056 /nfs/dbraw/zinc/08/00/56/884080056.db2.gz RXGFPTOUCZJARN-UHFFFAOYSA-N 0 0 394.338 3.941 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190447755 884082786 /nfs/dbraw/zinc/08/27/86/884082786.db2.gz QQOKRDWUWACBQB-CHWSQXEVSA-N 0 0 381.423 3.767 10 0 GHAERN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000191002987 884145470 /nfs/dbraw/zinc/14/54/70/884145470.db2.gz OXQYMLLKMYOOEM-QFIPXVFZSA-N 0 0 396.450 3.587 10 0 GHAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000191031575 884147387 /nfs/dbraw/zinc/14/73/87/884147387.db2.gz JWTNKNNRCBMEFH-ZDUSSCGKSA-N 0 0 388.443 3.935 10 0 GHAERN Cc1nc([C@H](NC(=O)N[C@H]2CCOc3c(C)cccc32)c2ccccc2F)no1 ZINC000191208286 884164091 /nfs/dbraw/zinc/16/40/91/884164091.db2.gz MWTHBIQTONJGSN-ZWKOTPCHSA-N 0 0 396.422 3.738 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000192286869 884248852 /nfs/dbraw/zinc/24/88/52/884248852.db2.gz ORTIJSPATZGWRW-MRXNPFEDSA-N 0 0 393.487 3.540 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192307576 884250334 /nfs/dbraw/zinc/25/03/34/884250334.db2.gz DRKUWTKGRQVHBM-GFCCVEGCSA-N 0 0 383.283 3.947 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NCC(=O)Nc1ccccc1OC ZINC000102887876 884623389 /nfs/dbraw/zinc/62/33/89/884623389.db2.gz RKXOTQMPJWFSQB-UHFFFAOYSA-N 0 0 378.856 3.815 10 0 GHAERN CCOc1ccccc1CS(=O)(=O)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000102948233 884663436 /nfs/dbraw/zinc/66/34/36/884663436.db2.gz KDESBEZXPKMQQB-UHFFFAOYSA-N 0 0 387.457 3.864 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000105206963 884675605 /nfs/dbraw/zinc/67/56/05/884675605.db2.gz OEDBUTQLQQJOMN-LPHOPBHVSA-N 0 0 390.430 3.568 10 0 GHAERN C[C@@H](C(=O)NC1CCC(C)CC1)[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685451 884829437 /nfs/dbraw/zinc/82/94/37/884829437.db2.gz YIJGRJDLWWRFOC-SSIVKPPNSA-N 0 0 392.496 3.813 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104459114 885453609 /nfs/dbraw/zinc/45/36/09/885453609.db2.gz DROHVIAUUWWFOQ-KDURUIRLSA-N 0 0 396.531 3.619 10 0 GHAERN CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCc1ccccc1OC ZINC000104461562 885459145 /nfs/dbraw/zinc/45/91/45/885459145.db2.gz NKRWXWNTVOLGFS-UHFFFAOYSA-N 0 0 379.460 3.594 10 0 GHAERN Fc1ccc(-c2cnc(CN3CCC(c4nnc5ccccn54)CC3)o2)cc1 ZINC000102694802 885973414 /nfs/dbraw/zinc/97/34/14/885973414.db2.gz FYPVWWRMGFMKRS-UHFFFAOYSA-N 0 0 377.423 3.903 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000103001026 885982437 /nfs/dbraw/zinc/98/24/37/885982437.db2.gz HLVZXQKIFRNVOT-CQSZACIVSA-N 0 0 377.444 3.886 10 0 GHAERN Cc1cc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1F ZINC000103241941 885987047 /nfs/dbraw/zinc/98/70/47/885987047.db2.gz VKUBYHYJQBXZJB-UHFFFAOYSA-N 0 0 381.451 3.967 10 0 GHAERN O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104329824 886002395 /nfs/dbraw/zinc/00/23/95/886002395.db2.gz GBNDDUCKRYZMOQ-LJQANCHMSA-N 0 0 375.432 3.507 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CC=C(c2ccccc2)CC1 ZINC000030634611 886256862 /nfs/dbraw/zinc/25/68/62/886256862.db2.gz FDIJLPJCHLSOEA-INIZCTEOSA-N 0 0 393.487 3.770 10 0 GHAERN C[C@@H](SCc1ccccc1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307133 886257541 /nfs/dbraw/zinc/25/75/41/886257541.db2.gz AZRZCRZSAAZXCZ-MRXNPFEDSA-N 0 0 388.558 3.745 10 0 GHAERN O=C(NCCc1ccc(Cl)s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112388726 886261737 /nfs/dbraw/zinc/26/17/37/886261737.db2.gz LNGOECHENYJVIN-UHFFFAOYSA-N 0 0 397.953 3.563 10 0 GHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112419518 886262697 /nfs/dbraw/zinc/26/26/97/886262697.db2.gz BHBNLRCGIQOFAN-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218164 886286786 /nfs/dbraw/zinc/28/67/86/886286786.db2.gz KWTPQXHNHGBBEZ-QUCCMNQESA-N 0 0 394.519 3.574 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000115408891 886343884 /nfs/dbraw/zinc/34/38/84/886343884.db2.gz MTKJYJOTJTVMSI-UHFFFAOYSA-N 0 0 399.834 3.678 10 0 GHAERN C[C@@H]1CN(c2ccc(C(=O)N3CC=C(c4cccs4)CC3)cn2)C[C@H](C)O1 ZINC000117720090 886391233 /nfs/dbraw/zinc/39/12/33/886391233.db2.gz AGAUHCAAICRSNA-IYBDPMFKSA-N 0 0 383.517 3.686 10 0 GHAERN CCc1nc2cc(NC(=O)N[C@@H](c3nnc(C)[nH]3)c3ccccc3)ccc2o1 ZINC000118046371 886400216 /nfs/dbraw/zinc/40/02/16/886400216.db2.gz BOPJRTRSTZZWPX-GOSISDBHSA-N 0 0 376.420 3.728 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000119701839 886475992 /nfs/dbraw/zinc/47/59/92/886475992.db2.gz ARJSWCPNOIVUOF-LRDDRELGSA-N 0 0 378.398 3.601 10 0 GHAERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000120686804 886529478 /nfs/dbraw/zinc/52/94/78/886529478.db2.gz LNVBNEVSJNXEED-UHFFFAOYSA-N 0 0 397.910 3.663 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000103864278 913073740 /nfs/dbraw/zinc/07/37/40/913073740.db2.gz WEJKCDSJUGGGDH-KRWDZBQOSA-N 0 0 395.503 3.767 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCCC[C@H]2c2cccn2C)c2ccccc2F)no1 ZINC000124312557 886731801 /nfs/dbraw/zinc/73/18/01/886731801.db2.gz MECDQRQEZWFQLS-OALUTQOASA-N 0 0 397.454 3.882 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3nnc(C4CCCC4)o3)C2)c1 ZINC000124465107 886751324 /nfs/dbraw/zinc/75/13/24/886751324.db2.gz YMTKGXZPPVLBEE-INIZCTEOSA-N 0 0 399.491 3.693 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124570994 886766177 /nfs/dbraw/zinc/76/61/77/886766177.db2.gz NFJSCJNSADGXOJ-IBGZPJMESA-N 0 0 397.454 3.666 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)nc1 ZINC000124802949 886801322 /nfs/dbraw/zinc/80/13/22/886801322.db2.gz WFEIOAKUGQVCMM-NHCUHLMSSA-N 0 0 394.519 3.578 10 0 GHAERN CC(C)Oc1ncccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000125216259 886840249 /nfs/dbraw/zinc/84/02/49/886840249.db2.gz ODBSOYWPSYGNAH-UHFFFAOYSA-N 0 0 388.512 3.515 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)n1 ZINC000126398080 886964653 /nfs/dbraw/zinc/96/46/53/886964653.db2.gz GIVBTRBOVHRWQQ-UHFFFAOYSA-N 0 0 381.373 3.947 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000044522262 886975727 /nfs/dbraw/zinc/97/57/27/886975727.db2.gz GKYUEPTYVNYAPR-BLRBJFNZSA-N 0 0 398.547 3.984 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000127405429 887060867 /nfs/dbraw/zinc/06/08/67/887060867.db2.gz WQMGEHOVKUIAAP-UHFFFAOYSA-N 0 0 380.469 3.996 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)N(Cc1ccco1)Cc1cccs1 ZINC000045711792 887089527 /nfs/dbraw/zinc/08/95/27/887089527.db2.gz HMRZMLGIQOMLER-UHFFFAOYSA-N 0 0 397.504 3.512 10 0 GHAERN Cc1ccc(NC(=O)c2cccc(N3CCNC3=O)c2C)cc1-c1ncco1 ZINC000127718065 887094778 /nfs/dbraw/zinc/09/47/78/887094778.db2.gz FPFWQSXDNFQGKZ-UHFFFAOYSA-N 0 0 376.416 3.740 10 0 GHAERN O=C(c1ccc(SC(F)F)cc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130460905 887435661 /nfs/dbraw/zinc/43/56/61/887435661.db2.gz IFTDIWFZZYMCHS-BBRMVZONSA-N 0 0 380.460 3.617 10 0 GHAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000130553411 887446965 /nfs/dbraw/zinc/44/69/65/887446965.db2.gz MCOOKHGDLSIWHN-UKRRQHHQSA-N 0 0 379.551 3.590 10 0 GHAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000131906594 887590822 /nfs/dbraw/zinc/59/08/22/887590822.db2.gz QMKNYRLWSPQCJA-UHFFFAOYSA-N 0 0 398.937 3.876 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000132611971 887681213 /nfs/dbraw/zinc/68/12/13/887681213.db2.gz CDJMUPWHSMUGFY-UHFFFAOYSA-N 0 0 396.472 3.783 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)sc2cccc(F)c12 ZINC000134381629 887865769 /nfs/dbraw/zinc/86/57/69/887865769.db2.gz BVVNZEVKWZIFIF-CXAGYDPISA-N 0 0 387.480 3.668 10 0 GHAERN CC(C)[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000054518063 888279706 /nfs/dbraw/zinc/27/97/06/888279706.db2.gz AKNOJZZKIIDEQP-PKOBYXMFSA-N 0 0 394.500 3.879 10 0 GHAERN C[C@]1(C(=O)N2CCCN(C(=O)c3ccccc3Cl)CC2)CC1(Cl)Cl ZINC000055526206 888321701 /nfs/dbraw/zinc/32/17/01/888321701.db2.gz TXTPCRZNAHTHKE-MRXNPFEDSA-N 0 0 389.710 3.598 10 0 GHAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000056440392 888360796 /nfs/dbraw/zinc/36/07/96/888360796.db2.gz OMVRWXDTUDKMFI-ZDUSSCGKSA-N 0 0 392.908 3.590 10 0 GHAERN CN1CC[C@@H](CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000057248171 888394500 /nfs/dbraw/zinc/39/45/00/888394500.db2.gz WLRGCIHBRJSYKL-KRWDZBQOSA-N 0 0 382.479 3.614 10 0 GHAERN Cc1c(NC(=O)[C@H]2CCCc3cccnc32)cccc1C(=O)N1CCSCC1 ZINC000194196937 888564403 /nfs/dbraw/zinc/56/44/03/888564403.db2.gz VOXNLZNVFANEBB-SFHVURJKSA-N 0 0 395.528 3.638 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000194659274 888603957 /nfs/dbraw/zinc/60/39/57/888603957.db2.gz WKMVUNPHOQSJEL-SJORKVTESA-N 0 0 386.377 3.706 10 0 GHAERN CN(C(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000243341471 888733401 /nfs/dbraw/zinc/73/34/01/888733401.db2.gz LTCOHXPAPLWQTD-UHFFFAOYSA-N 0 0 386.879 3.620 10 0 GHAERN Cc1nc(CCCC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673290 889201605 /nfs/dbraw/zinc/20/16/05/889201605.db2.gz KQNFHXNWJUWIDM-HKUYNNGSSA-N 0 0 379.476 3.614 10 0 GHAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245788143 889727073 /nfs/dbraw/zinc/72/70/73/889727073.db2.gz IJOCTVUADZMHEN-IUIKQTSFSA-N 0 0 395.297 3.675 10 0 GHAERN C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)C1 ZINC000246181719 890583167 /nfs/dbraw/zinc/58/31/67/890583167.db2.gz GUPDKKHOYMRVPM-YWZLYKJASA-N 0 0 396.512 3.827 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000246386311 891098203 /nfs/dbraw/zinc/09/82/03/891098203.db2.gz JMPVHIDHAOUZCA-OIISXLGYSA-N 0 0 385.489 3.684 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccc(C)o1 ZINC000246483768 891272870 /nfs/dbraw/zinc/27/28/70/891272870.db2.gz LQALKLWPTPSUHS-OWCLPIDISA-N 0 0 378.494 3.635 10 0 GHAERN Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000246541098 891284362 /nfs/dbraw/zinc/28/43/62/891284362.db2.gz VXEVMWNOYOEIHE-AXHNFQJDSA-N 0 0 392.956 3.934 10 0 GHAERN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247379000 891372421 /nfs/dbraw/zinc/37/24/21/891372421.db2.gz LAEVODGAFXDODQ-CEWLAPEOSA-N 0 0 399.535 3.946 10 0 GHAERN O=C(c1ccccc1)N1[C@@H]2CCCC[C@H]2C[C@H]1c1nc(-c2cnccn2)no1 ZINC000248662796 891454700 /nfs/dbraw/zinc/45/47/00/891454700.db2.gz HINSDHWBXVSIDD-JQHSSLGASA-N 0 0 375.432 3.673 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248927139 891482068 /nfs/dbraw/zinc/48/20/68/891482068.db2.gz XIHGADDBUFVHRF-HDAAZOAOSA-N 0 0 384.476 3.797 10 0 GHAERN Cc1cc(C)c(N2CC[C@H](N3CCC[C@@H](c4nncn4C4CC4)C3)C2=O)c(C)c1 ZINC000249070962 891492662 /nfs/dbraw/zinc/49/26/62/891492662.db2.gz KZEHYFKCQHYXLE-QUCCMNQESA-N 0 0 393.535 3.523 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000249143684 891500320 /nfs/dbraw/zinc/50/03/20/891500320.db2.gz FZHCXBQMVXXXQR-MKXGPGLRSA-N 0 0 386.517 3.561 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251907491 891662356 /nfs/dbraw/zinc/66/23/56/891662356.db2.gz RLGNOYQUJKZZBG-LXZKKBNFSA-N 0 0 381.929 3.582 10 0 GHAERN CCCN(C(=O)NCCc1nc(C)no1)[C@@H](C)c1ccccc1Br ZINC000102034820 897990583 /nfs/dbraw/zinc/99/05/83/897990583.db2.gz CNIVUYIARORECY-LBPRGKRZSA-N 0 0 395.301 3.866 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2cc(C(N)=O)ccc2C)CC1 ZINC000102535661 898013781 /nfs/dbraw/zinc/01/37/81/898013781.db2.gz LMMNWPDTJHRBOM-UHFFFAOYSA-N 0 0 381.476 3.589 10 0 GHAERN C[C@@H](NC(=O)C[S@](=O)Cc1csc(Br)c1)c1cccs1 ZINC000103224381 898072633 /nfs/dbraw/zinc/07/26/33/898072633.db2.gz BDEMJESHYAGPAH-YBYGRFCBSA-N 0 0 392.365 3.698 10 0 GHAERN C[C@H](NC(=O)NCCc1nc(C(C)(C)C)cs1)c1ccc(-n2cncn2)cc1 ZINC000104807476 898167310 /nfs/dbraw/zinc/16/73/10/898167310.db2.gz CPXBRCFCKMIQKZ-AWEZNQCLSA-N 0 0 398.536 3.624 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000105095639 898187416 /nfs/dbraw/zinc/18/74/16/898187416.db2.gz URMDLEJCFKKONI-HXUWFJFHSA-N 0 0 395.482 3.708 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)cn1 ZINC000116524890 899281146 /nfs/dbraw/zinc/28/11/46/899281146.db2.gz NMJXDCFAQFCRGT-LRDDRELGSA-N 0 0 376.913 3.810 10 0 GHAERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000333047293 899919184 /nfs/dbraw/zinc/91/91/84/899919184.db2.gz PQRGQXRCSZMTEZ-RDJZCZTQSA-N 0 0 390.871 3.610 10 0 GHAERN CCn1ccnc1[C@H]1CCCCN1C(=O)CC[C@H]1CN(C(C)=O)c2ccccc21 ZINC000333255982 901946032 /nfs/dbraw/zinc/94/60/32/901946032.db2.gz LETZEFTYZHWECT-GHTZIAJQSA-N 0 0 394.519 3.887 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC[C@H]1c1cccnc1 ZINC000333348978 902027764 /nfs/dbraw/zinc/02/77/64/902027764.db2.gz JHAUVLJHBUBSRY-UXHICEINSA-N 0 0 392.503 3.574 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000333366196 902038560 /nfs/dbraw/zinc/03/85/60/902038560.db2.gz YNBNFUNSTZYWSN-SNRMKQJTSA-N 0 0 381.524 3.902 10 0 GHAERN O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CC[C@@H](O)CC12CCC2 ZINC000333625348 902231094 /nfs/dbraw/zinc/23/10/94/902231094.db2.gz ADHUXKNHPRRTIH-CQSZACIVSA-N 0 0 382.489 3.974 10 0 GHAERN Cc1cc2c(Br)ccnc2cc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000333656080 902249913 /nfs/dbraw/zinc/24/99/13/902249913.db2.gz FXHZIDNVOWLFCY-CYBMUJFWSA-N 0 0 397.338 3.709 10 0 GHAERN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333871114 902385396 /nfs/dbraw/zinc/38/53/96/902385396.db2.gz BRUXXJRRCPRQPR-OUCADQQQSA-N 0 0 385.938 3.645 10 0 GHAERN O=C1CC2(CCCCC2)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)N1 ZINC000333909225 902417905 /nfs/dbraw/zinc/41/79/05/902417905.db2.gz WJXAZSGHTLSWTA-KRWDZBQOSA-N 0 0 377.488 3.595 10 0 GHAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333985902 902481277 /nfs/dbraw/zinc/48/12/77/902481277.db2.gz GPTXDELIDCKOIN-FHWLQOOXSA-N 0 0 381.520 3.703 10 0 GHAERN CC(C)Oc1ccc(CCCOC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000103674756 904498601 /nfs/dbraw/zinc/49/86/01/904498601.db2.gz ADWFUOQVKQWUOY-UHFFFAOYSA-N 0 0 376.474 3.667 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179351735 906480539 /nfs/dbraw/zinc/48/05/39/906480539.db2.gz BCLXVOYEJGTGDT-HNNXBMFYSA-N 0 0 387.896 3.878 10 0 GHAERN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000180176421 906707701 /nfs/dbraw/zinc/70/77/01/906707701.db2.gz RKSLAECKUYPMBY-AWEZNQCLSA-N 0 0 375.404 3.574 10 0 GHAERN O=C(Nc1ccc(Br)cc1Cl)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181271125 906959620 /nfs/dbraw/zinc/95/96/20/906959620.db2.gz KIQLKJUNKHMCTG-LBPRGKRZSA-N 0 0 384.665 3.980 10 0 GHAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189310905 908307105 /nfs/dbraw/zinc/30/71/05/908307105.db2.gz ATYFKQAYBNJMKW-HNNXBMFYSA-N 0 0 397.497 3.753 10 0 GHAERN CSCc1ccccc1NC(=O)C(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189463232 908327938 /nfs/dbraw/zinc/32/79/38/908327938.db2.gz QAJLSQGKTVLRNY-INIZCTEOSA-N 0 0 375.519 3.617 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000190002439 908399697 /nfs/dbraw/zinc/39/96/97/908399697.db2.gz ZQZKXGNHPPHDKE-WBVHZDCISA-N 0 0 387.505 3.629 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000190062833 908416091 /nfs/dbraw/zinc/41/60/91/908416091.db2.gz SIIUTOJRKAOGTN-MOPGFXCFSA-N 0 0 399.491 3.528 10 0 GHAERN CCCCOc1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)c(C)c1 ZINC000190123432 908431576 /nfs/dbraw/zinc/43/15/76/908431576.db2.gz VKJQFTGZOBKHBV-WMZOPIPTSA-N 0 0 388.468 3.859 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 ZINC000190126399 908432580 /nfs/dbraw/zinc/43/25/80/908432580.db2.gz CEZBFMSQKAINDF-FZMZJTMJSA-N 0 0 385.251 3.987 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000190126699 908432688 /nfs/dbraw/zinc/43/26/88/908432688.db2.gz GKRCFMQBGGDQIQ-UKRRQHHQSA-N 0 0 399.476 3.859 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000190128093 908433938 /nfs/dbraw/zinc/43/39/38/908433938.db2.gz RZESFWNMQCTBJZ-DGCLKSJQSA-N 0 0 384.408 3.687 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc(C)c1Br ZINC000192418943 908784227 /nfs/dbraw/zinc/78/42/27/908784227.db2.gz QCBGNCXDPOMNMA-CYBMUJFWSA-N 0 0 377.286 3.821 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCOc4c(F)cccc43)CCO2)n1 ZINC000194352087 908937976 /nfs/dbraw/zinc/93/79/76/908937976.db2.gz HQKJMVCYJKBUIX-HOTGVXAUSA-N 0 0 391.468 3.587 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)oc2c1C(=O)CCC2 ZINC000284720551 912002933 /nfs/dbraw/zinc/00/29/33/912002933.db2.gz VXEIIBUHZUGTLH-INIZCTEOSA-N 0 0 381.476 3.697 10 0 GHAERN Cn1cncc1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000370672204 924248985 /nfs/dbraw/zinc/24/89/85/924248985.db2.gz CEYVBTJBEKIQIH-UHFFFAOYSA-N 0 0 389.912 3.772 10 0 GHAERN C[C@H](c1cccc(Br)c1)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375329990 928175037 /nfs/dbraw/zinc/17/50/37/928175037.db2.gz XCIDSROZCNDJFH-CYBMUJFWSA-N 0 0 379.298 3.514 10 0 GHAERN O=C([O-])CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000701286696 977000815 /nfs/dbraw/zinc/00/08/15/977000815.db2.gz UHRPSDZMZRUBOE-UHFFFAOYSA-N 0 0 381.259 3.909 10 0 GHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000701337720 977007766 /nfs/dbraw/zinc/00/77/66/977007766.db2.gz XCNAXJHGAPTQJG-UHFFFAOYSA-N 0 0 375.852 3.978 10 0 GHAERN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(O)c3)N2C1=O ZINC000001661611 206388622 /nfs/dbraw/zinc/38/86/22/206388622.db2.gz IDGCPAFIELNTPI-FPOVZHCZSA-N 0 0 389.455 3.952 10 0 GHAERN CCNC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@@H](C)CC ZINC000004927630 206572302 /nfs/dbraw/zinc/57/23/02/206572302.db2.gz VYMZRVIOAAUFBQ-SFHVURJKSA-N 0 0 385.508 3.681 10 0 GHAERN COc1ccc(-c2cc(-c3ccccc3OC)nc3ncnc(N)c32)cc1OC ZINC000009694525 206797626 /nfs/dbraw/zinc/79/76/26/206797626.db2.gz XFTFJBAAFQUNRF-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN CC[C@@H](C)NC(=S)N(Cc1ccco1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000017080204 207083873 /nfs/dbraw/zinc/08/38/73/207083873.db2.gz VYYVKCWZVLDQKA-CQSZACIVSA-N 0 0 392.521 3.981 10 0 GHAERN CCNS(=O)(=O)c1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038002805 207249247 /nfs/dbraw/zinc/24/92/47/207249247.db2.gz UYAJRYMPOWJFCY-JTQLQIEISA-N 0 0 389.340 3.982 10 0 GHAERN C[C@H](Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)s1 ZINC000038002809 207250053 /nfs/dbraw/zinc/25/00/53/207250053.db2.gz CHJXYQROXRTFAB-JTQLQIEISA-N 0 0 389.340 3.934 10 0 GHAERN CC[C@H](C(=O)N1CCN(c2nccc(-c3ccco3)n2)CC1)c1ccccc1 ZINC000022667663 207259853 /nfs/dbraw/zinc/25/98/53/207259853.db2.gz ZZUANUOMWMXNCB-SFHVURJKSA-N 0 0 376.460 3.579 10 0 GHAERN Clc1cccc(Cl)c1CN(CCN1CCOCC1)Cc1cccnc1 ZINC000022931388 207265980 /nfs/dbraw/zinc/26/59/80/207265980.db2.gz LOGSZBLUZGGPIL-UHFFFAOYSA-N 0 0 380.319 3.723 10 0 GHAERN C/C=C\COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000033936582 207465223 /nfs/dbraw/zinc/46/52/23/207465223.db2.gz UEZMJPVWNRMXLC-GXMNPTEKSA-N 0 0 383.444 3.986 10 0 GHAERN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NCC1CC1 ZINC000036052367 207508372 /nfs/dbraw/zinc/50/83/72/207508372.db2.gz JSQHTNBLUGQDSV-RTWAWAEBSA-N 0 0 380.463 3.516 10 0 GHAERN CCCCNC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1 ZINC000064999744 207827253 /nfs/dbraw/zinc/82/72/53/207827253.db2.gz SZOXSKPTELCFQN-UHFFFAOYSA-N 0 0 392.546 3.730 10 0 GHAERN C[C@@H](NC(=O)c1nc(-c2nc(-c3ccccn3)no2)cs1)c1ccccc1 ZINC000065230697 207848816 /nfs/dbraw/zinc/84/88/16/207848816.db2.gz QDSSNZHMZOCPTC-GFCCVEGCSA-N 0 0 377.429 3.746 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084501 208151993 /nfs/dbraw/zinc/15/19/93/208151993.db2.gz VCZIMCFBHPIWQG-HNNXBMFYSA-N 0 0 384.480 3.982 10 0 GHAERN CC[C@@H]1CO[C@H](C)CN1C(=O)c1cc(Br)c(Br)s1 ZINC000095081964 208152290 /nfs/dbraw/zinc/15/22/90/208152290.db2.gz XCVWUUPXBWGBHF-HTQZYQBOSA-N 0 0 397.132 3.913 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075199 208152545 /nfs/dbraw/zinc/15/25/45/208152545.db2.gz DNWYAOUQCNWDPP-GFCCVEGCSA-N 0 0 389.327 3.862 10 0 GHAERN Clc1cnc2[nH]c(I)c(-c3cncnc3)c2c1Cl ZINC000095936929 208239255 /nfs/dbraw/zinc/23/92/55/208239255.db2.gz IGSXRZDLCVCBFI-UHFFFAOYSA-N 0 0 390.999 3.931 10 0 GHAERN O=S(=O)(c1cccc2cccnc21)n1cc(Br)c2cccnc21 ZINC000095919576 208239773 /nfs/dbraw/zinc/23/97/73/208239773.db2.gz BKPSMQRGYPOMMK-UHFFFAOYSA-N 0 0 388.246 3.584 10 0 GHAERN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)NCCC(C)C)C4)cc1 ZINC000096323876 208308026 /nfs/dbraw/zinc/30/80/26/208308026.db2.gz ISMODAICNQBFRR-UHFFFAOYSA-N 0 0 383.521 3.880 10 0 GHAERN O=C(Nc1cccc(Cl)c1)N1CC(n2cc(COc3ccccc3)nn2)C1 ZINC000097077481 208335924 /nfs/dbraw/zinc/33/59/24/208335924.db2.gz VITXAGZTKYJQRB-UHFFFAOYSA-N 0 0 383.839 3.599 10 0 GHAERN Cc1ccc(C(=O)Nc2ccc3c(C(=O)NC4CC4)nn(C(C)(C)C)c3n2)cc1 ZINC000146924746 208486567 /nfs/dbraw/zinc/48/65/67/208486567.db2.gz LWQCYFMLKUDPKO-UHFFFAOYSA-N 0 0 391.475 3.639 10 0 GHAERN C[Si](C)(C)CCOCn1nc(I)c2cccc(N)c21 ZINC000211465504 208816122 /nfs/dbraw/zinc/81/61/22/208816122.db2.gz ANKWRBAMNHXGHZ-UHFFFAOYSA-N 0 0 389.313 3.535 10 0 GHAERN CCOC(=O)c1ccc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC000095830607 222361440 /nfs/dbraw/zinc/36/14/40/222361440.db2.gz OHTLVKDBACKIFE-UHFFFAOYSA-N 0 0 393.480 3.898 10 0 GHAERN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000028011393 560091721 /nfs/dbraw/zinc/09/17/21/560091721.db2.gz DPTZOOXIEWHODB-XLDMSTKGSA-N 0 0 386.488 3.647 10 0 biogenic GHAERN CCOC(=O)c1nc2ccccc2nc1Nc1cc(OC)c(OC)c(OC)c1 ZINC000005499797 570283404 /nfs/dbraw/zinc/28/34/04/570283404.db2.gz YGWWRSBEIOZARC-UHFFFAOYSA-N 0 0 383.404 3.576 10 0 GHAERN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1 ZINC000003098569 570328406 /nfs/dbraw/zinc/32/84/06/570328406.db2.gz LSASHHGKFKBFER-LJQANCHMSA-N 0 0 378.428 3.839 10 0 GHAERN O=C(NC1CCCCC1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398580 570349806 /nfs/dbraw/zinc/34/98/06/570349806.db2.gz LCQFCEPEGOFKSM-UHFFFAOYSA-N 0 0 382.483 3.948 10 0 GHAERN CC(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1)C(=O)C1CCCC1 ZINC000033687142 570397128 /nfs/dbraw/zinc/39/71/28/570397128.db2.gz SBLAEYAKCGGIEJ-HSZRJFAPSA-N 0 0 393.531 3.847 10 0 GHAERN CC(C)NC(=O)N1C[C@@H](C(=O)N(C)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042419 570520332 /nfs/dbraw/zinc/52/03/32/570520332.db2.gz GPVNQMBFRNUZNN-IAGOWNOFSA-N 0 0 399.457 3.706 10 0 GHAERN CC(C)NC(=O)N1C[C@H](C(=O)N(C)C(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000036042422 570520351 /nfs/dbraw/zinc/52/03/51/570520351.db2.gz GPVNQMBFRNUZNN-IRXDYDNUSA-N 0 0 399.457 3.706 10 0 GHAERN CC(C)CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCc1ccccc1F)CO2 ZINC000065082286 570685216 /nfs/dbraw/zinc/68/52/16/570685216.db2.gz KVMHDIKQEVIBJB-QGZVFWFLSA-N 0 0 384.451 3.678 10 0 GHAERN Cc1ccc(CN2CCc3c(cc(C(=O)N[C@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307381 570788523 /nfs/dbraw/zinc/78/85/23/570788523.db2.gz QMWYPHDYTHCQNB-GOSISDBHSA-N 0 0 388.515 3.778 10 0 GHAERN Cc1ccc(Cc2nsc(N3CCC(C(=O)NCCC(C)C)CC3)n2)cc1 ZINC000004797135 570994026 /nfs/dbraw/zinc/99/40/26/570994026.db2.gz MHZUQFXYXPFZIL-UHFFFAOYSA-N 0 0 386.565 3.816 10 0 GHAERN CC(C)c1nc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000103426256 837743081 /nfs/dbraw/zinc/74/30/81/837743081.db2.gz NZISZCJJXFLSMY-RYUDHWBXSA-N 0 0 397.306 3.947 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000156576834 834439542 /nfs/dbraw/zinc/43/95/42/834439542.db2.gz FJMMYLQDZREHKO-KRWDZBQOSA-N 0 0 391.475 3.735 10 0 GHAERN Cc1csc(C2CCN([C@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000156682729 834501778 /nfs/dbraw/zinc/50/17/78/834501778.db2.gz INKLUIDTTVMDSO-CQSZACIVSA-N 0 0 375.563 3.666 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1F ZINC000088785172 834571516 /nfs/dbraw/zinc/57/15/16/834571516.db2.gz YYOSGGZVFNVSAD-INIZCTEOSA-N 0 0 375.488 3.629 10 0 GHAERN C[C@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1nnc(-c2ccccc2)n1C ZINC000156803527 834579721 /nfs/dbraw/zinc/57/97/21/834579721.db2.gz ZHGSUHPZNYVIAK-CQSZACIVSA-N 0 0 394.456 3.672 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000329391761 834959091 /nfs/dbraw/zinc/95/90/91/834959091.db2.gz VNJPTJJFDOISCC-IMJJTQAJSA-N 0 0 390.867 3.597 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)cs1 ZINC000187065669 835069678 /nfs/dbraw/zinc/06/96/78/835069678.db2.gz SRQPBMFOSDJUCP-QUCCMNQESA-N 0 0 397.544 3.596 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)nc1 ZINC000157759489 835076848 /nfs/dbraw/zinc/07/68/48/835076848.db2.gz HNAIMYUHFZFVJH-RBBKRZOGSA-N 0 0 379.504 3.643 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)nc1 ZINC000157759344 835076994 /nfs/dbraw/zinc/07/69/94/835076994.db2.gz HNAIMYUHFZFVJH-IFMALSPDSA-N 0 0 379.504 3.643 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)Cc3nnn(-c4ccccc4)c3C)C2)sc1C ZINC000329505019 835158089 /nfs/dbraw/zinc/15/80/89/835158089.db2.gz AFWYYJDDYUQDTG-QGZVFWFLSA-N 0 0 395.532 3.598 10 0 GHAERN CCc1c(NC(=O)/C=C\c2ccncn2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000588585599 835187496 /nfs/dbraw/zinc/18/74/96/835187496.db2.gz QKSAWNQJCRQNLE-SREVYHEPSA-N 0 0 387.365 3.895 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)C3(c4ccccc4F)CCCC3)C2)n1 ZINC000329617715 835429127 /nfs/dbraw/zinc/42/91/27/835429127.db2.gz DTTGSDJKAIJBFW-GOSISDBHSA-N 0 0 384.499 3.785 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CN3C(=O)CCc4ccccc43)C2)n1 ZINC000329690008 835689585 /nfs/dbraw/zinc/68/95/85/835689585.db2.gz ZIQJWAQHNVLWFZ-QGZVFWFLSA-N 0 0 397.544 3.952 10 0 GHAERN COc1cc(-c2nc(CN3CCO[C@H](c4ccc(C)o4)C3)cs2)ccc1O ZINC000159062974 835714032 /nfs/dbraw/zinc/71/40/32/835714032.db2.gz WZBCUKKDTGQGNN-IBGZPJMESA-N 0 0 386.473 3.999 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@H]1C ZINC000187894498 835749558 /nfs/dbraw/zinc/74/95/58/835749558.db2.gz PHLPLFCBLNKYBQ-ZWNOBZJWSA-N 0 0 394.265 3.775 10 0 GHAERN CCS[C@@H]1CCC[C@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000245972290 835773075 /nfs/dbraw/zinc/77/30/75/835773075.db2.gz ODAPNLNDFGNPDK-BBWFWOEESA-N 0 0 391.585 3.915 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C[C@H]1C ZINC000188015058 835814547 /nfs/dbraw/zinc/81/45/47/835814547.db2.gz RFRNJMUJOMWTOU-YPMHNXCESA-N 0 0 394.265 3.775 10 0 GHAERN CC(C)(C)c1ccc2cc(C(=O)N[C@H]3CCCN(c4cccnn4)C3)[nH]c2c1 ZINC000329749192 835861990 /nfs/dbraw/zinc/86/19/90/835861990.db2.gz HHWQBBDOECVNFS-KRWDZBQOSA-N 0 0 377.492 3.654 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000246106185 835968356 /nfs/dbraw/zinc/96/83/56/835968356.db2.gz JNJNFHUZSQEYCW-AGGWBTHJSA-N 0 0 396.890 3.860 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCO[C@H](c2cncn2C)C1 ZINC000275295074 836606826 /nfs/dbraw/zinc/60/68/26/836606826.db2.gz BEJQLAUUWHJPNP-ZVZYQTTQSA-N 0 0 386.496 3.555 10 0 GHAERN C[C@@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)[C@@H]1CO ZINC000408419352 844225013 /nfs/dbraw/zinc/22/50/13/844225013.db2.gz JPADUIBDOWFIAM-AMIZOPFISA-N 0 0 379.657 3.866 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)[C@H](C)CC)C3)C2)n1 ZINC000247055145 837943208 /nfs/dbraw/zinc/94/32/08/837943208.db2.gz HCZVYRZCILFXEZ-ZACQAIPSSA-N 0 0 391.581 3.696 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000178454192 838366479 /nfs/dbraw/zinc/36/64/79/838366479.db2.gz FGOHYORRCNTNCD-JCKWVBRZSA-N 0 0 381.314 3.847 10 0 GHAERN O=C(COc1cccc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009930481 838815633 /nfs/dbraw/zinc/81/56/33/838815633.db2.gz GUIORCDWNWNKJU-UHFFFAOYSA-N 0 0 394.515 3.860 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)C2)cn1 ZINC000116432614 839251980 /nfs/dbraw/zinc/25/19/80/839251980.db2.gz XNIMZJLMZHUJTK-BZNIZROVSA-N 0 0 379.291 3.913 10 0 GHAERN CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@@H]3C)o2)CC12CCCCC2 ZINC000408044442 839447064 /nfs/dbraw/zinc/44/70/64/839447064.db2.gz UZKBXHUSRSOWMF-WZGPROSRSA-N 0 0 384.520 3.900 10 0 GHAERN Cc1cc([C@H](C)NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000117032363 839539193 /nfs/dbraw/zinc/53/91/93/839539193.db2.gz ZNGLAYVZKYMHDQ-GUYCJALGSA-N 0 0 375.542 3.756 10 0 GHAERN C[C@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(-c2cccnc2)cc1 ZINC000588383705 839877369 /nfs/dbraw/zinc/87/73/69/839877369.db2.gz RQVPDNOYXQOSDR-IRXDYDNUSA-N 0 0 389.503 3.627 10 0 GHAERN C[C@@]12CN(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333273678 844489922 /nfs/dbraw/zinc/48/99/22/844489922.db2.gz WMZCXITVXMNLPW-GKVDFNDUSA-N 0 0 399.560 3.776 10 0 GHAERN O=C(NCc1ccnc(OC2CCCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119159350 840052973 /nfs/dbraw/zinc/05/29/73/840052973.db2.gz AKOPXQUACZPMLF-PGRDOPGGSA-N 0 0 387.524 3.630 10 0 GHAERN CC1(C)CC[C@H](NC(=O)N2CCCN(c3cccnn3)CC2)c2ccccc21 ZINC000119821946 840421025 /nfs/dbraw/zinc/42/10/25/840421025.db2.gz UDKGLOLCMLFYIB-IBGZPJMESA-N 0 0 379.508 3.511 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000144913860 844600161 /nfs/dbraw/zinc/60/01/61/844600161.db2.gz OMZVPESUPQRSQS-CYBMUJFWSA-N 0 0 385.855 3.803 10 0 GHAERN C[C@H]1CCN(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000408132975 841083474 /nfs/dbraw/zinc/08/34/74/841083474.db2.gz MEGQIZQJQNAGDP-LBPRGKRZSA-N 0 0 399.969 3.716 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3CCc3ccccc3)C2)nn1 ZINC000332873785 844617775 /nfs/dbraw/zinc/61/77/75/844617775.db2.gz FMFFXQUQMXVFBR-NHCUHLMSSA-N 0 0 393.535 3.561 10 0 GHAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119808831 841230133 /nfs/dbraw/zinc/23/01/33/841230133.db2.gz XZIUPGFGQRDMJG-KPZWWZAWSA-N 0 0 377.282 3.698 10 0 GHAERN CC[C@H](NC(=O)/C=C\c1cc(Br)c(O)c(OC)c1)c1nccs1 ZINC000588416392 841565546 /nfs/dbraw/zinc/56/55/46/841565546.db2.gz DYBUGVYBJNVWOD-RXNFCKPNSA-N 0 0 397.294 3.901 10 0 GHAERN O=C(Nc1cc(Cl)ccn1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408167896 841649539 /nfs/dbraw/zinc/64/95/39/841649539.db2.gz ZHHWAIWUWQFGIC-WRQGHLQJSA-N 0 0 387.911 3.881 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(-n2ccnc2)c1 ZINC000246566368 842051607 /nfs/dbraw/zinc/05/16/07/842051607.db2.gz LUMAQJNZZBIMIZ-KCUHQSDYSA-N 0 0 380.492 3.580 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408193091 842286173 /nfs/dbraw/zinc/28/61/73/842286173.db2.gz QTGQUNALZLJWMA-AITUJVMLSA-N 0 0 376.472 3.765 10 0 GHAERN Cn1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000408314791 842360854 /nfs/dbraw/zinc/36/08/54/842360854.db2.gz CPYMVABLSFILQU-KPZWWZAWSA-N 0 0 379.913 3.569 10 0 GHAERN CC(C)c1nn(C)c2sc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc12 ZINC000588434294 842470594 /nfs/dbraw/zinc/47/05/94/842470594.db2.gz CAGANWMCKNEXBE-FPLPWBNLSA-N 0 0 392.525 3.569 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000328841144 842482008 /nfs/dbraw/zinc/48/20/08/842482008.db2.gz PHMCEXJUFTVWRC-WMLDXEAASA-N 0 0 387.480 3.697 10 0 GHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000153114470 842523086 /nfs/dbraw/zinc/52/30/86/842523086.db2.gz HEKUPTLVNOOEEJ-OAHLLOKOSA-N 0 0 383.471 3.856 10 0 GHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000328847227 842575589 /nfs/dbraw/zinc/57/55/89/842575589.db2.gz YAVCKBUYHRBNCF-MOPGFXCFSA-N 0 0 380.444 3.804 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000279157927 842659448 /nfs/dbraw/zinc/65/94/48/842659448.db2.gz JZMUSNXUHXUUJZ-FIXISWKDSA-N 0 0 377.432 3.560 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000279157930 842659691 /nfs/dbraw/zinc/65/96/91/842659691.db2.gz JZMUSNXUHXUUJZ-ZIBATOQPSA-N 0 0 377.432 3.560 10 0 GHAERN O=C(/C=C\c1ccncn1)OCc1c(Cl)nc(Cl)n1-c1ccccc1 ZINC000588437638 842721876 /nfs/dbraw/zinc/72/18/76/842721876.db2.gz XYGVNPGEZAGSHF-SREVYHEPSA-N 0 0 375.215 3.726 10 0 GHAERN O=C(/C=C\c1ccncn1)N(Cc1cccnc1)c1ccc(Br)cc1 ZINC000588438091 842722782 /nfs/dbraw/zinc/72/27/82/842722782.db2.gz YNXZOFSWAALGTO-YVMONPNESA-N 0 0 395.260 3.881 10 0 GHAERN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408352391 842750504 /nfs/dbraw/zinc/75/05/04/842750504.db2.gz PWSHQAYUSIBUPX-HZMBPMFUSA-N 0 0 380.279 3.688 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1F ZINC000588441113 842751326 /nfs/dbraw/zinc/75/13/26/842751326.db2.gz WMNDDVKQUUYIRT-IKESIWSLSA-N 0 0 380.423 3.696 10 0 GHAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408208858 842816996 /nfs/dbraw/zinc/81/69/96/842816996.db2.gz YAGORFRAEGDBIM-RGIVZKHGSA-N 0 0 376.545 3.733 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)CCO2)o1 ZINC000162694487 842847580 /nfs/dbraw/zinc/84/75/80/842847580.db2.gz PUWSLCWHSQUEOC-DSKINZAPSA-N 0 0 384.476 3.839 10 0 GHAERN Cc1cc(Br)c(NC(=O)N2CCC(n3cncn3)CC2)cc1Cl ZINC000162522539 843261861 /nfs/dbraw/zinc/26/18/61/843261861.db2.gz NGAHLRSSEPMQLU-UHFFFAOYSA-N 0 0 398.692 3.871 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000162546816 843273242 /nfs/dbraw/zinc/27/32/42/843273242.db2.gz RZSLJGNNNYOYNM-QGZVFWFLSA-N 0 0 379.426 3.937 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618607 843277548 /nfs/dbraw/zinc/27/75/48/843277548.db2.gz ZFOHCYWBSJCRAK-YCRPNKLZSA-N 0 0 375.476 3.680 10 0 GHAERN COc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1NC(C)=O ZINC000162594857 843281773 /nfs/dbraw/zinc/28/17/73/843281773.db2.gz NLVBUTSOAWZYCZ-XCLFUZPHSA-N 0 0 379.464 3.520 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000588455280 843345692 /nfs/dbraw/zinc/34/56/92/843345692.db2.gz IPTTXDDWSZTWDD-QXPKXGMISA-N 0 0 392.434 3.999 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)cc2)cc1 ZINC000330336544 843726525 /nfs/dbraw/zinc/72/65/25/843726525.db2.gz ZNTOZOVWABZHFD-JXFKEZNVSA-N 0 0 384.501 3.810 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c2ccccc21 ZINC000332904507 844639078 /nfs/dbraw/zinc/63/90/78/844639078.db2.gz QNGAVFDNDWRTAV-QFBILLFUSA-N 0 0 390.549 3.768 10 0 GHAERN O=C(Nc1cnc(-c2ccccc2)nc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000148271323 844828910 /nfs/dbraw/zinc/82/89/10/844828910.db2.gz XDYFCYUJPDTICH-QGZVFWFLSA-N 0 0 399.458 3.598 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC000333343108 844874347 /nfs/dbraw/zinc/87/43/47/844874347.db2.gz UCTCOAXXPHPMLN-KFKAGJAMSA-N 0 0 378.538 3.622 10 0 GHAERN C[C@H]1CCCN(c2cc(N3CCC[C@H](c4nc(C(F)(F)F)c[nH]4)C3)ncn2)C1 ZINC000333368269 845074654 /nfs/dbraw/zinc/07/46/54/845074654.db2.gz VSHREQUTTXYCOY-KBPBESRZSA-N 0 0 394.445 3.839 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3nnc(C(F)(F)F)s3)C2)cc1 ZINC000151639622 845371017 /nfs/dbraw/zinc/37/10/17/845371017.db2.gz URENOVWBZPXEHP-MWLCHTKSSA-N 0 0 386.399 3.975 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](c2ccco2)c2ccccc2OC)cc1 ZINC000163765317 845459157 /nfs/dbraw/zinc/45/91/57/845459157.db2.gz IRQPKURSRJWDDI-YDYPUGOESA-N 0 0 390.439 3.567 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248960536 845480805 /nfs/dbraw/zinc/48/08/05/845480805.db2.gz MJSJMAPDWHBNIB-OEYIWLLWSA-N 0 0 396.274 3.777 10 0 GHAERN CCCCOc1cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)ccc1OC ZINC000248980218 845485284 /nfs/dbraw/zinc/48/52/84/845485284.db2.gz SHYVRABKOZJIPI-SJORKVTESA-N 0 0 375.469 3.528 10 0 GHAERN C[C@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1cccc(Br)c1 ZINC000333021911 845589384 /nfs/dbraw/zinc/58/93/84/845589384.db2.gz JIRXXFKIWRBLSR-XHDPSFHLSA-N 0 0 393.285 3.917 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000333523700 845708189 /nfs/dbraw/zinc/70/81/89/845708189.db2.gz WOQMFJIYWNJTTQ-YWZLYKJASA-N 0 0 386.492 3.510 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C2N=NC(=S)N2C(C)C)C1 ZINC000151864092 845908756 /nfs/dbraw/zinc/90/87/56/845908756.db2.gz FPHNEBVNUUZLET-SZMVWBNQSA-N 0 0 384.549 3.966 10 0 GHAERN COc1ccc(C(F)(F)C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)cc1 ZINC000151961723 846071244 /nfs/dbraw/zinc/07/12/44/846071244.db2.gz XTYXUFKRXQLAPJ-MRXNPFEDSA-N 0 0 391.349 3.523 10 0 GHAERN COc1ccc(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1Cl ZINC000119726979 846792734 /nfs/dbraw/zinc/79/27/34/846792734.db2.gz AKOXNNGMFRHIGK-SNVBAGLBSA-N 0 0 387.789 3.512 10 0 GHAERN Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)cc1 ZINC000329596706 861732153 /nfs/dbraw/zinc/73/21/53/861732153.db2.gz IUDCXRHJPNXBAW-INIZCTEOSA-N 0 0 378.476 3.889 10 0 GHAERN CC(C)c1nc(CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)no1 ZINC000152470193 847144000 /nfs/dbraw/zinc/14/40/00/847144000.db2.gz KSMHWTPPBMBCBL-LRDDRELGSA-N 0 0 380.286 3.918 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3nc(-c4ccoc4)no3)C2)cc1 ZINC000152656156 847482091 /nfs/dbraw/zinc/48/20/91/847482091.db2.gz ICYLGOALYWJSQJ-WMLDXEAASA-N 0 0 381.432 3.675 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCCCC[C@H]2c2noc(C)n2)c2ccccc21 ZINC000329637581 861859577 /nfs/dbraw/zinc/85/95/77/861859577.db2.gz AJQNPKCDXOLMNE-PXNSSMCTSA-N 0 0 396.491 3.752 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCC([C@H](O)c2nccn2C)CC1 ZINC000154804038 849374084 /nfs/dbraw/zinc/37/40/84/849374084.db2.gz CQANQSHYYMDADC-UVIRAJKCSA-N 0 0 393.487 3.714 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000155571457 849567705 /nfs/dbraw/zinc/56/77/05/849567705.db2.gz TVODRZJTNMAVPX-GOSISDBHSA-N 0 0 389.496 3.639 10 0 GHAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155690689 849602961 /nfs/dbraw/zinc/60/29/61/849602961.db2.gz WUGLXUIQRZFRMA-LJQANCHMSA-N 0 0 387.549 3.790 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NC2CCN(c3cccs3)CC2)no1 ZINC000155853129 849679534 /nfs/dbraw/zinc/67/95/34/849679534.db2.gz UVNKAWCSMAXKOD-OAHLLOKOSA-N 0 0 389.525 3.770 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000155937344 849704365 /nfs/dbraw/zinc/70/43/65/849704365.db2.gz NXBDVVAZHUOIFH-WDBKCZKBSA-N 0 0 378.341 3.779 10 0 GHAERN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)N1CCC(n2cncn2)CC1 ZINC000156280123 849842460 /nfs/dbraw/zinc/84/24/60/849842460.db2.gz HGGBPAWSZMVGNX-UHFFFAOYSA-N 0 0 391.475 3.503 10 0 GHAERN Cc1ccc(C(=O)NCC(=O)Nc2cccc(OCc3cscn3)c2)cc1C ZINC000101676462 851812388 /nfs/dbraw/zinc/81/23/88/851812388.db2.gz DDVKQJRERSITAO-UHFFFAOYSA-N 0 0 395.484 3.707 10 0 GHAERN Cc1cc(C)cc(-c2cc(NC(=O)c3cnc(-c4ncccn4)s3)n[nH]2)c1 ZINC000101672036 851825662 /nfs/dbraw/zinc/82/56/62/851825662.db2.gz HVOQRPGZXKXTEM-UHFFFAOYSA-N 0 0 376.445 3.859 10 0 GHAERN COc1ccccc1NC(=O)C[S@](=O)Cc1csc(CCC(C)C)n1 ZINC000101719821 851831973 /nfs/dbraw/zinc/83/19/73/851831973.db2.gz QINCQCGJZHEMQS-VWLOTQADSA-N 0 0 380.535 3.628 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000101738909 851859511 /nfs/dbraw/zinc/85/95/11/851859511.db2.gz INKJPFIZHJYQBT-ZDUSSCGKSA-N 0 0 383.439 3.693 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000121837407 852035037 /nfs/dbraw/zinc/03/50/37/852035037.db2.gz YDJSCYFARHPJDC-KURKYZTESA-N 0 0 379.456 3.980 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000014575144 852330415 /nfs/dbraw/zinc/33/04/15/852330415.db2.gz LMUIDSZVCUHWGR-CYBMUJFWSA-N 0 0 390.405 3.834 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329846353 862369090 /nfs/dbraw/zinc/36/90/90/862369090.db2.gz YFBNCOIOBZRJRX-HJNYFJLDSA-N 0 0 396.535 3.610 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329846350 862369294 /nfs/dbraw/zinc/36/92/94/862369294.db2.gz YFBNCOIOBZRJRX-FCEUIQTBSA-N 0 0 396.535 3.610 10 0 GHAERN Cc1cc(=O)c(-c2noc(-c3cn(C)nc3C3CCCCC3)n2)c2n1CCC2 ZINC000333890724 852688821 /nfs/dbraw/zinc/68/88/21/852688821.db2.gz XAAJOYRQTJVXIE-UHFFFAOYSA-N 0 0 379.464 3.601 10 0 GHAERN O=C(c1nn(-c2cccc(F)c2)c2c1CCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333704242 852746637 /nfs/dbraw/zinc/74/66/37/852746637.db2.gz HNKLRUNBMVLYKK-MWTRTKDXSA-N 0 0 397.494 3.657 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)c2o1 ZINC000333946617 853252260 /nfs/dbraw/zinc/25/22/60/853252260.db2.gz UVHKIEAJMAMWKG-GMXVVIOVSA-N 0 0 394.269 3.523 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980213 853268098 /nfs/dbraw/zinc/26/80/98/853268098.db2.gz IFWIFNKLASSBMO-YZVOILCLSA-N 0 0 395.341 3.712 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000330047515 862531731 /nfs/dbraw/zinc/53/17/31/862531731.db2.gz HRRVEVGBIPPPCW-KRWDZBQOSA-N 0 0 392.459 3.546 10 0 GHAERN CC(C)(C(=O)NCc1nncn1-c1ccccc1)c1cccc(Br)c1 ZINC000102230675 854234881 /nfs/dbraw/zinc/23/48/81/854234881.db2.gz TXZWGTKNAUDEMP-UHFFFAOYSA-N 0 0 399.292 3.624 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000123699617 854413539 /nfs/dbraw/zinc/41/35/39/854413539.db2.gz YMNKVOAKRSIFAS-UHFFFAOYSA-N 0 0 375.557 3.538 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000328643480 854486952 /nfs/dbraw/zinc/48/69/52/854486952.db2.gz FLNQZQSAYNONBU-MGPUTAFESA-N 0 0 381.476 3.523 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[nH]1 ZINC000328663828 854495079 /nfs/dbraw/zinc/49/50/79/854495079.db2.gz BFWKOXPRCKIZSM-JYJNAYRXSA-N 0 0 378.398 3.989 10 0 GHAERN O=C(c1csc([C@H]2CCCO2)n1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124564219 854629847 /nfs/dbraw/zinc/62/98/47/854629847.db2.gz RKBQVGMZLDPMAC-GDBMZVCRSA-N 0 0 378.881 3.942 10 0 GHAERN Cc1sc2nc(CN3CCC[C@H]3c3nc4c(n3C)CCCC4)nc(N)c2c1C ZINC000328981669 854640743 /nfs/dbraw/zinc/64/07/43/854640743.db2.gz YGYFXIOQKLMOKM-INIZCTEOSA-N 0 0 396.564 3.840 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccnc(N[C@H]2CCCO[C@H]2C(C)C)n1 ZINC000330126404 862597092 /nfs/dbraw/zinc/59/70/92/862597092.db2.gz IRVNQQQUESZVHC-WFXMLNOXSA-N 0 0 398.555 3.784 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000189166058 855044786 /nfs/dbraw/zinc/04/47/86/855044786.db2.gz DFHJATYIVSKLTF-QFYYESIMSA-N 0 0 389.240 3.886 10 0 GHAERN Cc1nc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1Br ZINC000128782153 855131422 /nfs/dbraw/zinc/13/14/22/855131422.db2.gz RFFYJUSSTVYEHK-KBPBESRZSA-N 0 0 378.274 3.654 10 0 GHAERN Cc1noc(CCNC(=O)Cc2cccc(OCc3ccc(Cl)cc3)c2)n1 ZINC000105957103 855157176 /nfs/dbraw/zinc/15/71/76/855157176.db2.gz LOOBDLZYGQZYQR-UHFFFAOYSA-N 0 0 385.851 3.512 10 0 GHAERN CCOc1ccc(CNC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000105984230 855161528 /nfs/dbraw/zinc/16/15/28/855161528.db2.gz GKOAXDCYLPLKRU-LJQANCHMSA-N 0 0 399.528 3.613 10 0 GHAERN Cc1cn2c(ncc(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)c2=O)s1 ZINC000180025489 855411941 /nfs/dbraw/zinc/41/19/41/855411941.db2.gz IROVEUWSOBOGTM-MRXNPFEDSA-N 0 0 395.484 3.631 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000190049155 855427194 /nfs/dbraw/zinc/42/71/94/855427194.db2.gz ZFWNBYYFCWGMME-HUUCEWRRSA-N 0 0 375.494 3.701 10 0 GHAERN CC[C@@H](NC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1)c1cccs1 ZINC000057234196 855431212 /nfs/dbraw/zinc/43/12/12/855431212.db2.gz KYXNEMXYDMFZNC-CQSZACIVSA-N 0 0 377.535 3.737 10 0 GHAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248050815 855686128 /nfs/dbraw/zinc/68/61/28/855686128.db2.gz WFLVIXMXPRMULM-XHDPSFHLSA-N 0 0 397.846 3.675 10 0 GHAERN O=C(c1ccc(Br)cc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000029246825 856030861 /nfs/dbraw/zinc/03/08/61/856030861.db2.gz IKVKLPIVLVLHQW-OAHLLOKOSA-N 0 0 389.297 3.744 10 0 GHAERN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1nnc(-c2ccccc2)n1C ZINC000103474709 856180862 /nfs/dbraw/zinc/18/08/62/856180862.db2.gz FMTUWGSCDHCDKW-UHFFFAOYSA-N 0 0 386.503 3.937 10 0 GHAERN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104908319 856445124 /nfs/dbraw/zinc/44/51/24/856445124.db2.gz ZAYFUDGFDIVIQP-SFHVURJKSA-N 0 0 384.476 3.515 10 0 GHAERN CC(C)c1c(C(=O)NC[C@@H](O)Cc2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000104915506 856447490 /nfs/dbraw/zinc/44/74/90/856447490.db2.gz IMPROEKRBOSNJD-IBGZPJMESA-N 0 0 397.906 3.983 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000105172805 856523105 /nfs/dbraw/zinc/52/31/05/856523105.db2.gz GNGPLJKHTOLAPF-QFIPXVFZSA-N 0 0 395.503 3.968 10 0 GHAERN CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@@H]1CCCN(c2cccnn2)C1 ZINC000136365778 857294914 /nfs/dbraw/zinc/29/49/14/857294914.db2.gz VHUXCJSPAUQFEL-QGZVFWFLSA-N 0 0 389.503 3.578 10 0 GHAERN Cc1n[nH]cc1CCCNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113575368 858295027 /nfs/dbraw/zinc/29/50/27/858295027.db2.gz LZYKCXYMHMFKGI-LJQANCHMSA-N 0 0 392.507 3.630 10 0 GHAERN Cc1nc(S(=O)(=O)CC(=O)N2[C@H](C)CCC[C@@H]2C)n(C2CCCCC2)c1C ZINC000072055652 858788654 /nfs/dbraw/zinc/78/86/54/858788654.db2.gz KZALKBYXEMSXRM-GASCZTMLSA-N 0 0 395.569 3.568 10 0 GHAERN COc1ccccc1CC1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000102410570 860263159 /nfs/dbraw/zinc/26/31/59/860263159.db2.gz VOGSKFMDMSMVEA-UHFFFAOYSA-N 0 0 395.503 3.547 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3ccc(Cl)cc3)C2)no1 ZINC000171350530 860424932 /nfs/dbraw/zinc/42/49/32/860424932.db2.gz OMHWQBQNQQNGOI-HNNXBMFYSA-N 0 0 390.915 3.973 10 0 GHAERN O=C(NCCCNC(=O)c1ccccc1Cc1ccccc1)c1cccc(O)c1 ZINC000102471680 860686258 /nfs/dbraw/zinc/68/62/58/860686258.db2.gz MIGUKOYHRSJPEG-UHFFFAOYSA-N 0 0 388.467 3.533 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N(C)CCCOc3ccccc3)C2)c1 ZINC000102464227 860694489 /nfs/dbraw/zinc/69/44/89/860694489.db2.gz ORMMHCZZBBCXLQ-IBGZPJMESA-N 0 0 397.519 3.632 10 0 GHAERN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2noc(C)n2)c1 ZINC000103001199 860892521 /nfs/dbraw/zinc/89/25/21/860892521.db2.gz BMJYNLIUAZPTSP-UHFFFAOYSA-N 0 0 389.415 3.882 10 0 GHAERN Cc1[nH]c2ccc(C(=O)N(C)C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)cc2c1C ZINC000329048677 860976321 /nfs/dbraw/zinc/97/63/21/860976321.db2.gz VUQGXZWYEBSLKG-PGRDOPGGSA-N 0 0 393.535 3.673 10 0 GHAERN O=C1[C@H](N2CC[C@@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058029 860982244 /nfs/dbraw/zinc/98/22/44/860982244.db2.gz TXAOTHNPTAPWHI-RHSMWYFYSA-N 0 0 386.883 3.585 10 0 GHAERN CC(C)C(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000194426881 863366903 /nfs/dbraw/zinc/36/69/03/863366903.db2.gz ZYVLJYGOFXVKFK-GOSISDBHSA-N 0 0 377.916 3.834 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CC[C@@H]3Cc4ccccc4NC3=O)c21 ZINC000103128986 863926500 /nfs/dbraw/zinc/92/65/00/863926500.db2.gz QKHOVCKJTIVONM-QGZVFWFLSA-N 0 0 375.472 3.726 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)c2nnn(-c3ccccc3Cl)c2C)cc1F ZINC000103361584 863970532 /nfs/dbraw/zinc/97/05/32/863970532.db2.gz WNDDLSAZUNRHMP-LLVKDONJSA-N 0 0 388.830 3.868 10 0 GHAERN O=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178103991 864502634 /nfs/dbraw/zinc/50/26/34/864502634.db2.gz QBJAQOJFIWZQKY-UWJYYQICSA-N 0 0 385.533 3.689 10 0 GHAERN C[C@@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1 ZINC000150926166 866283316 /nfs/dbraw/zinc/28/33/16/866283316.db2.gz TWFDFYLJAIBQHW-GOSISDBHSA-N 0 0 393.535 3.677 10 0 GHAERN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000151114072 866696958 /nfs/dbraw/zinc/69/69/58/866696958.db2.gz ILMGRYQQOBOKSS-SZNDQCEHSA-N 0 0 376.472 3.578 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)s1 ZINC000111722514 866698767 /nfs/dbraw/zinc/69/87/67/866698767.db2.gz LNFPUIWUWZZNJR-UHFFFAOYSA-N 0 0 397.504 3.820 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c2ccccc2O1 ZINC000163267033 882053984 /nfs/dbraw/zinc/05/39/84/882053984.db2.gz ANRKCERRSBDSKX-WBVHZDCISA-N 0 0 395.507 3.874 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000180432538 867280901 /nfs/dbraw/zinc/28/09/01/867280901.db2.gz YIXVJWMADIXXGY-DJJJIMSYSA-N 0 0 394.302 3.946 10 0 GHAERN CCCC[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(OC)cc1 ZINC000170889929 882067465 /nfs/dbraw/zinc/06/74/65/882067465.db2.gz IWHBVSGIKLXYAE-FQEVSTJZSA-N 0 0 397.523 3.685 10 0 GHAERN Cc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C(C)C)cc1 ZINC000170890798 882067497 /nfs/dbraw/zinc/06/74/97/882067497.db2.gz VFGFQBXHLDUZEV-MSOLQXFVSA-N 0 0 385.533 3.612 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171643030 882120189 /nfs/dbraw/zinc/12/01/89/882120189.db2.gz VIHFVDIYJMADPY-MRXNPFEDSA-N 0 0 394.500 3.535 10 0 GHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000171557086 882141232 /nfs/dbraw/zinc/14/12/32/882141232.db2.gz KTCACCRHVVQACO-NSHDSACASA-N 0 0 375.354 3.558 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171721835 882156266 /nfs/dbraw/zinc/15/62/66/882156266.db2.gz WNUFBSXGBXXZIN-HKUYNNGSSA-N 0 0 381.501 3.813 10 0 GHAERN CCOc1ccc(/C=C\C(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)cc1 ZINC000172089332 882168518 /nfs/dbraw/zinc/16/85/18/882168518.db2.gz ILNJLCMXXLBRAS-YXAHYSCSSA-N 0 0 393.443 3.704 10 0 GHAERN CN(C)c1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c(C(F)(F)F)c1 ZINC000172460543 882277939 /nfs/dbraw/zinc/27/79/39/882277939.db2.gz ZZVLWUFZVPGIRA-SJORKVTESA-N 0 0 379.382 3.551 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)NCC[C@@H]3c4ccccc4NC3=O)CC2)c1 ZINC000172649023 882282395 /nfs/dbraw/zinc/28/23/95/882282395.db2.gz BTRANIFYDALZJZ-HXUWFJFHSA-N 0 0 392.503 3.707 10 0 GHAERN CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172754862 882305868 /nfs/dbraw/zinc/30/58/68/882305868.db2.gz KZSAJSZNNXOMKU-UHFFFAOYSA-N 0 0 385.895 3.636 10 0 GHAERN CC(C)=CCSc1ccccc1C(=O)NCc1cccnc1-n1cncn1 ZINC000172829822 882311328 /nfs/dbraw/zinc/31/13/28/882311328.db2.gz JCFRGKVQWREWOF-UHFFFAOYSA-N 0 0 379.489 3.651 10 0 GHAERN CC(=O)Nc1ccc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000172866660 882314699 /nfs/dbraw/zinc/31/46/99/882314699.db2.gz OGKTUNSXAADUAR-UHFFFAOYSA-N 0 0 390.848 3.927 10 0 GHAERN CCC(CC)c1cc(C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)on1 ZINC000172987351 882328587 /nfs/dbraw/zinc/32/85/87/882328587.db2.gz CKOHSXQNJMRMKW-UHFFFAOYSA-N 0 0 383.448 3.733 10 0 GHAERN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1=O ZINC000153131778 869810023 /nfs/dbraw/zinc/81/00/23/869810023.db2.gz HOTXBFGDAPHOAA-FUHWJXTLSA-N 0 0 387.483 3.662 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cc2)CCO1 ZINC000173413125 882359814 /nfs/dbraw/zinc/35/98/14/882359814.db2.gz ZMNJNFXNXWZEOX-CVEARBPZSA-N 0 0 386.521 3.780 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2ccnc2)c1 ZINC000173456907 882362885 /nfs/dbraw/zinc/36/28/85/882362885.db2.gz IPILUWJHGBYWKR-DOTOQJQBSA-N 0 0 381.505 3.979 10 0 GHAERN CC1(C)C[C@@H](NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2O1 ZINC000122010351 882377156 /nfs/dbraw/zinc/37/71/56/882377156.db2.gz VVQAFGWKCDNSOW-TZIWHRDSSA-N 0 0 398.478 3.618 10 0 GHAERN O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC[C@@H](c2nccs2)C1 ZINC000173554325 882380121 /nfs/dbraw/zinc/38/01/21/882380121.db2.gz DDUMADSQRMXHNV-SNVBAGLBSA-N 0 0 390.456 3.750 10 0 GHAERN O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)cnc1Cl ZINC000173774793 882401140 /nfs/dbraw/zinc/40/11/40/882401140.db2.gz BBLLVDHYBZVJGN-OLZOCXBDSA-N 0 0 383.677 3.608 10 0 GHAERN CCc1c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cnn1-c1ccccc1C ZINC000191650666 870385944 /nfs/dbraw/zinc/38/59/44/870385944.db2.gz AYDGLQTYOQXSDT-JTSKRJEESA-N 0 0 382.508 3.902 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2c(C)nn(C)c2Cl)cc1 ZINC000173820800 882406141 /nfs/dbraw/zinc/40/61/41/882406141.db2.gz RPQFQYABPHNGQG-KRWDZBQOSA-N 0 0 393.940 3.987 10 0 GHAERN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c12 ZINC000046489427 870434291 /nfs/dbraw/zinc/43/42/91/870434291.db2.gz HYTVPOOTXJESAE-UXHICEINSA-N 0 0 390.487 3.727 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000174084668 882423964 /nfs/dbraw/zinc/42/39/64/882423964.db2.gz TVFCJGNAMVIHCA-ZFWWWQNUSA-N 0 0 383.192 3.507 10 0 GHAERN O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114810835 870633650 /nfs/dbraw/zinc/63/36/50/870633650.db2.gz GUQLKONRVGCUNQ-HNNXBMFYSA-N 0 0 386.477 3.507 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1F ZINC000114814089 870644350 /nfs/dbraw/zinc/64/43/50/870644350.db2.gz LHEJJNGDVVTZJY-NSHDSACASA-N 0 0 378.429 3.872 10 0 GHAERN CC(=O)NCc1ccc(C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)s1 ZINC000102968218 870869325 /nfs/dbraw/zinc/86/93/25/870869325.db2.gz UWIGTFCUVXCMFJ-LJQANCHMSA-N 0 0 384.432 3.865 10 0 GHAERN O=C(Nc1nnc(C(F)(F)F)s1)N1CCC(Nc2ccccc2F)CC1 ZINC000174644935 882487318 /nfs/dbraw/zinc/48/73/18/882487318.db2.gz RMIYUIVTJOUMGX-UHFFFAOYSA-N 0 0 389.378 3.804 10 0 GHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000174935789 882508070 /nfs/dbraw/zinc/50/80/70/882508070.db2.gz TWJIBRRDZCHHDM-UHFFFAOYSA-N 0 0 379.386 3.594 10 0 GHAERN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000175302338 882540424 /nfs/dbraw/zinc/54/04/24/882540424.db2.gz LOGIJNUBWBPPRW-PBHICJAKSA-N 0 0 378.432 3.544 10 0 GHAERN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ncncc1Cl ZINC000175313371 882541440 /nfs/dbraw/zinc/54/14/40/882541440.db2.gz MJBHYXRKMRIUOL-UHFFFAOYSA-N 0 0 386.818 3.506 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)c3cc4cc(F)ccc4oc3=O)c2)o1 ZINC000175380340 882548540 /nfs/dbraw/zinc/54/85/40/882548540.db2.gz ZXHOLXVEMNOYJX-UHFFFAOYSA-N 0 0 379.347 3.797 10 0 GHAERN CCC(=O)Nc1cccc(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)c1 ZINC000175392393 882550657 /nfs/dbraw/zinc/55/06/57/882550657.db2.gz BTBVPEBTWVQMHE-MRXNPFEDSA-N 0 0 382.460 3.682 10 0 GHAERN CC(C)n1c(=S)n(CN2CCC[C@H]2c2ccc3c(c2)OCO3)nc1N(C)C ZINC000103458376 872015311 /nfs/dbraw/zinc/01/53/11/872015311.db2.gz UOFUGJTWKHEEMA-HNNXBMFYSA-N 0 0 389.525 3.584 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000175911188 882615087 /nfs/dbraw/zinc/61/50/87/882615087.db2.gz BUTQBDDUVAINJS-HZPDHXFCSA-N 0 0 393.553 3.851 10 0 GHAERN COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2CCCn3ccnc32)cc1OC ZINC000176323821 882679612 /nfs/dbraw/zinc/67/96/12/882679612.db2.gz JUZATUMHGJTIMT-GOSISDBHSA-N 0 0 385.508 3.505 10 0 GHAERN CC(C)CCO[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)C1 ZINC000176588892 882715330 /nfs/dbraw/zinc/71/53/30/882715330.db2.gz ZCJGRIRKOZTICO-QUCCMNQESA-N 0 0 387.524 3.594 10 0 GHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000176662235 882722774 /nfs/dbraw/zinc/72/27/74/882722774.db2.gz FEOVVYAITWOEMJ-NVXWUHKLSA-N 0 0 381.455 3.827 10 0 GHAERN Cc1cnc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cn1 ZINC000102744471 873526148 /nfs/dbraw/zinc/52/61/48/873526148.db2.gz WNJGJFHOCQRXFY-CHWSQXEVSA-N 0 0 394.397 3.670 10 0 GHAERN Cc1cnc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cn1 ZINC000102744474 873526411 /nfs/dbraw/zinc/52/64/11/873526411.db2.gz WNJGJFHOCQRXFY-STQMWFEESA-N 0 0 394.397 3.670 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)n[nH]1 ZINC000102763331 873569054 /nfs/dbraw/zinc/56/90/54/873569054.db2.gz YPBDDUWKMQLAMJ-TXEJJXNPSA-N 0 0 382.386 3.603 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000116669482 873614576 /nfs/dbraw/zinc/61/45/76/873614576.db2.gz LSJCDDKAPPNGNV-UHFFFAOYSA-N 0 0 377.410 3.737 10 0 GHAERN CCOc1cc(C)ccc1CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000176914607 882749950 /nfs/dbraw/zinc/74/99/50/882749950.db2.gz IHEUKJFIPUXILZ-UHFFFAOYSA-N 0 0 386.517 3.624 10 0 GHAERN Cc1nc2nc(=S)n(CN3CCC[C@H]3c3ccc4c(c3)OCO4)n2c(C)c1C ZINC000102921175 873881510 /nfs/dbraw/zinc/88/15/10/873881510.db2.gz CAZQLCGVBLSOKI-INIZCTEOSA-N 0 0 397.504 3.709 10 0 GHAERN CCSc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000177512294 882809849 /nfs/dbraw/zinc/80/98/49/882809849.db2.gz OPISGPNJCSLKOL-CYBMUJFWSA-N 0 0 375.519 3.600 10 0 GHAERN COc1cccc([C@H](C)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000177568525 882831599 /nfs/dbraw/zinc/83/15/99/882831599.db2.gz CFGGUCCPXSMADM-GOSISDBHSA-N 0 0 386.536 3.830 10 0 GHAERN COc1ccccc1CCN(C)Cn1nc(-c2ccncc2)n(C2CC2)c1=S ZINC000104653685 874610308 /nfs/dbraw/zinc/61/03/08/874610308.db2.gz OZJIJWNUIYJYIM-UHFFFAOYSA-N 0 0 395.532 3.952 10 0 GHAERN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(OCC(F)(F)F)cc3)CC2=O)cc1 ZINC000105378658 875279563 /nfs/dbraw/zinc/27/95/63/875279563.db2.gz DBSRUBWNJDZTGS-AWEZNQCLSA-N 0 0 392.377 3.928 10 0 GHAERN CCCCc1ccc(N(C)C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000178575731 882923192 /nfs/dbraw/zinc/92/31/92/882923192.db2.gz PSVDTTULPWALQG-UHFFFAOYSA-N 0 0 379.504 3.939 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1cccc(F)c1F ZINC000179348614 882993201 /nfs/dbraw/zinc/99/32/01/882993201.db2.gz NCJYNVVFUWSDAP-OAHLLOKOSA-N 0 0 393.478 3.850 10 0 GHAERN CCCCCNC(=O)C1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179503816 883004382 /nfs/dbraw/zinc/00/43/82/883004382.db2.gz MGGCAXANCYGRKG-UHFFFAOYSA-N 0 0 383.496 3.627 10 0 GHAERN CC[C@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cc(C)ccc1OC ZINC000179526901 883006480 /nfs/dbraw/zinc/00/64/80/883006480.db2.gz XPQSOHKSPUCIPY-FQEVSTJZSA-N 0 0 396.487 3.945 10 0 GHAERN COCCn1nc(C)c(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1C ZINC000179595389 883011709 /nfs/dbraw/zinc/01/17/09/883011709.db2.gz VKSRXBMPLUYJPA-KSSFIOAISA-N 0 0 386.496 3.565 10 0 GHAERN CC(C)Cn1ncnc1C[S@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000180125695 883023403 /nfs/dbraw/zinc/02/34/03/883023403.db2.gz WDICGSCZAXJTDK-VWLOTQADSA-N 0 0 378.885 3.691 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179838001 883032452 /nfs/dbraw/zinc/03/24/52/883032452.db2.gz FJYHRBFHLRKBPF-UYAOXDASSA-N 0 0 398.507 3.606 10 0 GHAERN Cc1nc([C@@H](NC2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2)n[nH]1 ZINC000180414542 883056361 /nfs/dbraw/zinc/05/63/61/883056361.db2.gz ZBAISZNNTBXTKG-ABHNRTSZSA-N 0 0 385.512 3.628 10 0 GHAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000180526614 883077462 /nfs/dbraw/zinc/07/74/62/883077462.db2.gz JYBKVSMSBRITIH-UHFFFAOYSA-N 0 0 383.439 3.976 10 0 GHAERN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000180817670 883101902 /nfs/dbraw/zinc/10/19/02/883101902.db2.gz SATGYPDHITZVAZ-UHFFFAOYSA-N 0 0 389.542 3.789 10 0 GHAERN COc1cc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)ccc1OC(F)F ZINC000180856536 883103882 /nfs/dbraw/zinc/10/38/82/883103882.db2.gz GBRHRWQILVOZBO-UHFFFAOYSA-N 0 0 392.402 3.684 10 0 GHAERN CC(C)Cn1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000180995682 883115267 /nfs/dbraw/zinc/11/52/67/883115267.db2.gz SIKVRPRCCUSFEE-GOSISDBHSA-N 0 0 377.492 3.949 10 0 GHAERN COCc1cc(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)ncn1 ZINC000180989591 883115449 /nfs/dbraw/zinc/11/54/49/883115449.db2.gz AKFDOVGGINMIKS-UHFFFAOYSA-N 0 0 381.411 3.565 10 0 GHAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181009409 883116591 /nfs/dbraw/zinc/11/65/91/883116591.db2.gz ICJCDCMRCIEUFF-SOVGHPHASA-N 0 0 388.826 3.551 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000121915198 878041008 /nfs/dbraw/zinc/04/10/08/878041008.db2.gz PVHBYHSFEXLHLE-LAUBAEHRSA-N 0 0 392.499 3.836 10 0 GHAERN C[C@@]1(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CC1(Cl)Cl ZINC000181137982 883150305 /nfs/dbraw/zinc/15/03/05/883150305.db2.gz ZVHDLGWSENKZFM-SFHVURJKSA-N 0 0 378.303 3.594 10 0 GHAERN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H]1CC(=O)Nc2ccccc21 ZINC000181587636 883165665 /nfs/dbraw/zinc/16/56/65/883165665.db2.gz QNFLDHWRMJUUSA-ZBEGNZNMSA-N 0 0 384.304 3.810 10 0 GHAERN CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181916700 883191898 /nfs/dbraw/zinc/19/18/98/883191898.db2.gz XXTINQDLDQEVSE-UHFFFAOYSA-N 0 0 389.927 3.504 10 0 GHAERN CC(C)[C@@H](CC1CCCCC1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181915443 883192025 /nfs/dbraw/zinc/19/20/25/883192025.db2.gz KBDHIWKGQSFXBQ-HXUWFJFHSA-N 0 0 375.557 3.824 10 0 GHAERN CC(C)(C)Sc1cc(C(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)ccn1 ZINC000182625903 883229161 /nfs/dbraw/zinc/22/91/61/883229161.db2.gz FBYZVKPEAMJFRG-RDJZCZTQSA-N 0 0 387.549 3.588 10 0 GHAERN CC(C)(C)Sc1cc(C(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)ccn1 ZINC000182625871 883229475 /nfs/dbraw/zinc/22/94/75/883229475.db2.gz FBYZVKPEAMJFRG-WBVHZDCISA-N 0 0 387.549 3.588 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000182658559 883230783 /nfs/dbraw/zinc/23/07/83/883230783.db2.gz GMLVSONACXWHJK-WOJBJXKFSA-N 0 0 384.524 3.819 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)NCc3cc4ccccc4o3)C2)c1 ZINC000102449247 883253489 /nfs/dbraw/zinc/25/34/89/883253489.db2.gz XOGKFVDTHOYLJZ-MRXNPFEDSA-N 0 0 379.460 3.767 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2C)c2ccc(F)cc2C1 ZINC000184011871 883297993 /nfs/dbraw/zinc/29/79/93/883297993.db2.gz GPGZAGUGHCBROI-YCRPNKLZSA-N 0 0 383.467 3.988 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184038456 883303258 /nfs/dbraw/zinc/30/32/58/883303258.db2.gz GEUXPYLFYVIXPP-YCRPNKLZSA-N 0 0 383.467 3.988 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)/C=C/c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000184112831 883320318 /nfs/dbraw/zinc/32/03/18/883320318.db2.gz QSQQFQRYGQOKER-DUIUGDAFSA-N 0 0 388.389 3.727 10 0 GHAERN CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000184229746 883337888 /nfs/dbraw/zinc/33/78/88/883337888.db2.gz COXQKGMDNKZZPM-UHFFFAOYSA-N 0 0 396.491 3.781 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000184549705 883355312 /nfs/dbraw/zinc/35/53/12/883355312.db2.gz IDPMREVKTSTIJJ-CZUORRHYSA-N 0 0 378.519 3.663 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000184549737 883355344 /nfs/dbraw/zinc/35/53/44/883355344.db2.gz IDPMREVKTSTIJJ-XJKSGUPXSA-N 0 0 378.519 3.663 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000184560550 883356734 /nfs/dbraw/zinc/35/67/34/883356734.db2.gz MEJDABVKISYKJO-IBGZPJMESA-N 0 0 387.447 3.518 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000184560574 883357546 /nfs/dbraw/zinc/35/75/46/883357546.db2.gz MEJDABVKISYKJO-LJQANCHMSA-N 0 0 387.447 3.518 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000184749205 883365411 /nfs/dbraw/zinc/36/54/11/883365411.db2.gz OVIUBLWYNODHCJ-QHCPKHFHSA-N 0 0 390.439 3.577 10 0 GHAERN CCc1nc(CCNC(=O)N2CCC(Cc3ccc(OC)cc3)CC2)cs1 ZINC000102458573 883377743 /nfs/dbraw/zinc/37/77/43/883377743.db2.gz NUPDUNNFFKUNGJ-UHFFFAOYSA-N 0 0 387.549 3.921 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184829689 883385248 /nfs/dbraw/zinc/38/52/48/883385248.db2.gz VFYPILUTIRAVPU-KRWDZBQOSA-N 0 0 377.366 3.719 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(OCC3CC3)cc2)c2ccc(F)cc2C1 ZINC000185512021 883547713 /nfs/dbraw/zinc/54/77/13/883547713.db2.gz QBYLJLVNSZNZEA-JOCHJYFZSA-N 0 0 396.462 3.838 10 0 GHAERN COc1ccc([C@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185514168 883548762 /nfs/dbraw/zinc/54/87/62/883548762.db2.gz JXNVYTKZTMHAFO-IVZQSRNASA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCO[C@@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185522399 883550515 /nfs/dbraw/zinc/55/05/15/883550515.db2.gz OWNMSSCADADNTG-MGPUTAFESA-N 0 0 378.488 3.577 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)c2ccc(F)cc2C1 ZINC000185543574 883553966 /nfs/dbraw/zinc/55/39/66/883553966.db2.gz IYFBZMWYSQOVAJ-OAQYLSRUSA-N 0 0 380.463 3.775 10 0 GHAERN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559093 883556569 /nfs/dbraw/zinc/55/65/69/883556569.db2.gz CEYAVNORIIIAPT-YADHBBJMSA-N 0 0 398.478 3.901 10 0 GHAERN CCOCCC1(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000185567685 883558518 /nfs/dbraw/zinc/55/85/18/883558518.db2.gz FMXULMWDPBRMHY-HXUWFJFHSA-N 0 0 390.499 3.722 10 0 GHAERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000186062925 883608121 /nfs/dbraw/zinc/60/81/21/883608121.db2.gz CHMXGCPZRSHINH-CQSZACIVSA-N 0 0 385.464 3.537 10 0 GHAERN Cn1cc([C@H](NC(=O)N2CCC[C@H](c3nccs3)C2)c2ccc(F)cc2)cn1 ZINC000185984144 883612564 /nfs/dbraw/zinc/61/25/64/883612564.db2.gz BBBIYMWJDBGXBM-MAUKXSAKSA-N 0 0 399.495 3.694 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(O)(c4c(F)cccc4F)CC3)nc21 ZINC000186431693 883644849 /nfs/dbraw/zinc/64/48/49/883644849.db2.gz KPYJGVUVHVHUKI-UHFFFAOYSA-N 0 0 399.441 3.592 10 0 GHAERN O=C(c1csc(Cc2cccc(F)c2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186438537 883646640 /nfs/dbraw/zinc/64/66/40/883646640.db2.gz IQBYKIMZJQNGHY-UHFFFAOYSA-N 0 0 396.491 3.621 10 0 GHAERN C[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccc(OC(F)F)c1 ZINC000186347865 883651049 /nfs/dbraw/zinc/65/10/49/883651049.db2.gz DXYZCIVWELYKOP-HNNXBMFYSA-N 0 0 390.434 3.666 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)ccc2NC1=O ZINC000186572081 883664398 /nfs/dbraw/zinc/66/43/98/883664398.db2.gz KLEHSQMEAYEPQT-UHFFFAOYSA-N 0 0 392.459 3.791 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186783668 883701602 /nfs/dbraw/zinc/70/16/02/883701602.db2.gz XUAGKDZTDXEDCO-MOPGFXCFSA-N 0 0 382.508 3.769 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000186806502 883707255 /nfs/dbraw/zinc/70/72/55/883707255.db2.gz NEHPRAAJCWIHSU-NSHDSACASA-N 0 0 386.433 3.776 10 0 GHAERN COc1cc(C)c([C@@H](C)OC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1C ZINC000186770273 883711260 /nfs/dbraw/zinc/71/12/60/883711260.db2.gz AQQJORVNJJZGDK-QGZVFWFLSA-N 0 0 396.487 3.864 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CC[C@]3(C2)OCc2ccccc23)cc1OC ZINC000186939266 883719670 /nfs/dbraw/zinc/71/96/70/883719670.db2.gz VGFONPIPNWDVKR-BDTMADQZSA-N 0 0 379.456 3.765 10 0 GHAERN O=C(NCCCc1c[nH]c2ccccc12)N1CCC(Nc2nccs2)CC1 ZINC000187051461 883735069 /nfs/dbraw/zinc/73/50/69/883735069.db2.gz GEOQGOQEZWKKLT-UHFFFAOYSA-N 0 0 383.521 3.843 10 0 GHAERN O=C(N[C@H](c1nccs1)c1ccccc1)N1CCC(Nc2nccs2)CC1 ZINC000186988832 883742839 /nfs/dbraw/zinc/74/28/39/883742839.db2.gz JLSHBVCTICAACN-INIZCTEOSA-N 0 0 399.545 3.975 10 0 GHAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187137179 883750330 /nfs/dbraw/zinc/75/03/30/883750330.db2.gz ROYPSTPQUZJFGV-INIZCTEOSA-N 0 0 398.937 3.876 10 0 GHAERN O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000187239300 883773824 /nfs/dbraw/zinc/77/38/24/883773824.db2.gz QICCGBDPRDVNIB-IAGOWNOFSA-N 0 0 379.382 3.590 10 0 GHAERN O=C(c1cccs1)N1CCC(c2nc(COc3ccccc3F)no2)CC1 ZINC000188332551 883835285 /nfs/dbraw/zinc/83/52/85/883835285.db2.gz OKSDRMNBIMFGMX-UHFFFAOYSA-N 0 0 387.436 3.869 10 0 GHAERN O=C(c1cn2ccnc2s1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188403369 883846926 /nfs/dbraw/zinc/84/69/26/883846926.db2.gz AZNWSUOCOFMSBV-OAHLLOKOSA-N 0 0 377.473 3.806 10 0 GHAERN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000102608612 883866455 /nfs/dbraw/zinc/86/64/55/883866455.db2.gz SQIWOXNUVIBWLG-HNNXBMFYSA-N 0 0 388.533 3.821 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000188683952 883869715 /nfs/dbraw/zinc/86/97/15/883869715.db2.gz NZVVTCWVOFETAB-INIZCTEOSA-N 0 0 392.377 3.678 10 0 GHAERN CC(C)Oc1ccc(CC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000188999392 883894995 /nfs/dbraw/zinc/89/49/95/883894995.db2.gz LFVBYMVKEMOHIJ-UHFFFAOYSA-N 0 0 398.478 3.576 10 0 GHAERN Cc1cc(N2CCN(C(=O)c3occc3CSc3ccccc3)CC2)n[nH]1 ZINC000189703906 883982193 /nfs/dbraw/zinc/98/21/93/883982193.db2.gz UOJJQBXDAXIZSJ-UHFFFAOYSA-N 0 0 382.489 3.566 10 0 GHAERN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189827427 884014612 /nfs/dbraw/zinc/01/46/12/884014612.db2.gz RHXMFINYKQRBQQ-UHFFFAOYSA-N 0 0 386.451 3.751 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1SCC(=O)NC(C)C ZINC000189944861 884026403 /nfs/dbraw/zinc/02/64/03/884026403.db2.gz YIJMZYAAWYROKZ-SFHVURJKSA-N 0 0 398.528 3.865 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000190073253 884035938 /nfs/dbraw/zinc/03/59/38/884035938.db2.gz KJWZSCYCQSMCNU-MSOLQXFVSA-N 0 0 387.455 3.708 10 0 GHAERN CN(C)c1noc(C2CCN(Cc3csc(-c4ccsc4)n3)CC2)n1 ZINC000190032973 884045145 /nfs/dbraw/zinc/04/51/45/884045145.db2.gz FTEBOQROQDYCAO-UHFFFAOYSA-N 0 0 375.523 3.700 10 0 GHAERN Cc1cc(C)nc(-n2nccc2NC(=O)N2CC=C(c3ccccc3F)CC2)n1 ZINC000190398200 884058716 /nfs/dbraw/zinc/05/87/16/884058716.db2.gz PXBDCXVGJCLCPL-UHFFFAOYSA-N 0 0 392.438 3.739 10 0 GHAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190274977 884063053 /nfs/dbraw/zinc/06/30/53/884063053.db2.gz HSHZNPKUJYAFEH-OAHLLOKOSA-N 0 0 385.414 3.514 10 0 GHAERN NC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1cccs1 ZINC000190265149 884063431 /nfs/dbraw/zinc/06/34/31/884063431.db2.gz YISXNTQTYFJEKD-LRDDRELGSA-N 0 0 393.459 3.532 10 0 GHAERN O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190281330 884063914 /nfs/dbraw/zinc/06/39/14/884063914.db2.gz PXKAUIWWEJTLSS-CYBMUJFWSA-N 0 0 388.443 3.686 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c(C)n1-c1nccs1 ZINC000190384379 884073674 /nfs/dbraw/zinc/07/36/74/884073674.db2.gz DXLATPIQHRLMBM-UHFFFAOYSA-N 0 0 387.534 3.724 10 0 GHAERN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190402719 884076835 /nfs/dbraw/zinc/07/68/35/884076835.db2.gz DDVOKPKQSVXNRV-LLVKDONJSA-N 0 0 383.876 3.806 10 0 GHAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190416567 884078919 /nfs/dbraw/zinc/07/89/19/884078919.db2.gz VIGCSLXYYBLCTD-UHFFFAOYSA-N 0 0 382.489 3.752 10 0 GHAERN Cc1nc2ccccc2n1CCNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000190567371 884096788 /nfs/dbraw/zinc/09/67/88/884096788.db2.gz RTAOYWDXBPSLSM-UHFFFAOYSA-N 0 0 390.487 3.623 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000370113628 884152705 /nfs/dbraw/zinc/15/27/05/884152705.db2.gz RULCMRHPSBGEJK-BXUZGUMPSA-N 0 0 377.901 3.584 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc2)[nH]1 ZINC000192313182 884251061 /nfs/dbraw/zinc/25/10/61/884251061.db2.gz BKKBTVCHEDYBPD-HNNXBMFYSA-N 0 0 391.262 3.913 10 0 GHAERN Cc1c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cnn1C1CCCC1 ZINC000192994293 884318752 /nfs/dbraw/zinc/31/87/52/884318752.db2.gz OVRNMQLMOZOWBM-UHFFFAOYSA-N 0 0 398.482 3.937 10 0 GHAERN COc1cccc2c1CCN(C(=O)C[C@H]1c3ccccc3C=CN1C(C)=O)CC2 ZINC000193231141 884332634 /nfs/dbraw/zinc/33/26/34/884332634.db2.gz XAZYSHQAJQVCSI-QFIPXVFZSA-N 0 0 390.483 3.587 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000193258523 884335268 /nfs/dbraw/zinc/33/52/68/884335268.db2.gz CZGGPVRCMPBTNL-ICSRJNTNSA-N 0 0 378.476 3.834 10 0 GHAERN Cc1ccccc1C[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000193387529 884347578 /nfs/dbraw/zinc/34/75/78/884347578.db2.gz YTQSWDQRPILKRP-PKOBYXMFSA-N 0 0 377.492 3.558 10 0 GHAERN CCc1cc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2CC)n[nH]1 ZINC000102784853 884452258 /nfs/dbraw/zinc/45/22/58/884452258.db2.gz UWSCTILEZUBUKG-UHFFFAOYSA-N 0 0 388.269 3.735 10 0 GHAERN CCCCN1C(=O)CC[C@@H](C(=O)Nc2cc(CC)[nH]n2)[C@@H]1c1ccccc1OC ZINC000102784917 884452692 /nfs/dbraw/zinc/45/26/92/884452692.db2.gz CKQUEGHBSIGFTF-UTKZUKDTSA-N 0 0 398.507 3.699 10 0 GHAERN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(CC)[nH]n2)[C@@H]1c1ccccc1OC ZINC000102784919 884452768 /nfs/dbraw/zinc/45/27/68/884452768.db2.gz CKQUEGHBSIGFTF-UWJYYQICSA-N 0 0 398.507 3.699 10 0 GHAERN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(F)ccc3Cl)cn2)C[C@@H](C)O1 ZINC000102801357 884465824 /nfs/dbraw/zinc/46/58/24/884465824.db2.gz DKEYWUPSESSTPV-CHWSQXEVSA-N 0 0 392.862 3.809 10 0 GHAERN CC(C)CCc1noc(C[S@@](=O)Cc2csc(Br)c2)n1 ZINC000105694088 884834059 /nfs/dbraw/zinc/83/40/59/884834059.db2.gz YEIBBRNHHCSBCS-HXUWFJFHSA-N 0 0 377.329 3.931 10 0 GHAERN O=C(c1ccccc1)N1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000193538798 885235941 /nfs/dbraw/zinc/23/59/41/885235941.db2.gz IXPIZQPYGCOIMH-FGZHOGPDSA-N 0 0 392.499 3.529 10 0 GHAERN CCOc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC ZINC000007274095 885782489 /nfs/dbraw/zinc/78/24/89/885782489.db2.gz SIEOOBHDRLQOFL-UHFFFAOYSA-N 0 0 388.489 3.646 10 0 GHAERN COc1cccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1OC ZINC000103179333 885986980 /nfs/dbraw/zinc/98/69/80/885986980.db2.gz QNGOTFOLMSZVNM-FQEVSTJZSA-N 0 0 377.444 3.688 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000105076307 886009426 /nfs/dbraw/zinc/00/94/26/886009426.db2.gz LNGDWLUXRGMWSC-MRXNPFEDSA-N 0 0 389.381 3.721 10 0 GHAERN CCOc1cccc([C@H](C)NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000105203242 886012855 /nfs/dbraw/zinc/01/28/55/886012855.db2.gz NDNBXXZJAHRSDB-LIRRHRJNSA-N 0 0 379.464 3.662 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)c1nccs1 ZINC000106281943 886031267 /nfs/dbraw/zinc/03/12/67/886031267.db2.gz KRXLKGWKYWABCB-CQSZACIVSA-N 0 0 378.929 3.775 10 0 GHAERN Cc1cc2cc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)ccc2[nH]1 ZINC000112425568 886263063 /nfs/dbraw/zinc/26/30/63/886263063.db2.gz WVUKNRTUQLIAFQ-UHFFFAOYSA-N 0 0 382.489 3.918 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114825487 886328426 /nfs/dbraw/zinc/32/84/26/886328426.db2.gz AGOYPCKWCLGEQD-KRWDZBQOSA-N 0 0 398.532 3.749 10 0 GHAERN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117641907 886389933 /nfs/dbraw/zinc/38/99/33/886389933.db2.gz WHQZWPAJVLEEQX-QRWLVFNGSA-N 0 0 396.512 3.687 10 0 GHAERN Cc1[nH]cc(C(=O)N2CCC(Oc3ccccc3)CC2)c(=O)c1Br ZINC000119612887 886470043 /nfs/dbraw/zinc/47/00/43/886470043.db2.gz AUGOOWSBAIAWNH-UHFFFAOYSA-N 0 0 391.265 3.542 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@@H]1c1nc3cc(C)ccc3[nH]1)CCC2 ZINC000332674252 886537957 /nfs/dbraw/zinc/53/79/57/886537957.db2.gz AFAWKCOLUOHCJG-VQIMIIECSA-N 0 0 392.507 3.800 10 0 GHAERN CC1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccn4)o3)cc2)CC1 ZINC000041183562 886663003 /nfs/dbraw/zinc/66/30/03/886663003.db2.gz CUIKMTHGTIDXGP-UHFFFAOYSA-N 0 0 391.475 3.939 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3cccc(OC(F)(F)F)c3)CC2)n1 ZINC000123728546 886665310 /nfs/dbraw/zinc/66/53/10/886665310.db2.gz NNUCBKLHPBENMD-UHFFFAOYSA-N 0 0 393.409 3.616 10 0 GHAERN O=C(C[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 ZINC000124126769 886708510 /nfs/dbraw/zinc/70/85/10/886708510.db2.gz XFWFMBDYAZSFGV-OAQYLSRUSA-N 0 0 390.483 3.687 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000125410442 886864329 /nfs/dbraw/zinc/86/43/29/886864329.db2.gz UNWXKSWJCPJNER-UNMCSNQZSA-N 0 0 396.535 3.552 10 0 GHAERN COc1ccc(-c2noc(CN3CCC(Oc4ccccc4)CC3)n2)c(OC)c1 ZINC000125824331 886903233 /nfs/dbraw/zinc/90/32/33/886903233.db2.gz DEECAAJIJXRYIT-UHFFFAOYSA-N 0 0 395.459 3.797 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126278665 886950598 /nfs/dbraw/zinc/95/05/98/886950598.db2.gz VYXUPSREOSIFMG-LEWJYISDSA-N 0 0 381.520 3.509 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1OC(F)F ZINC000126454904 886969692 /nfs/dbraw/zinc/96/96/92/886969692.db2.gz IEKKSDHWFASCFO-CXFYGJIZSA-N 0 0 391.418 3.616 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000129194794 887269822 /nfs/dbraw/zinc/26/98/22/887269822.db2.gz KZYCBNKTGUEXQS-UZLBHIALSA-N 0 0 378.472 3.564 10 0 GHAERN COc1ccccc1[C@H](NC(=O)/C=C/c1c(C)nn(C)c1Cl)c1ccccn1 ZINC000129274949 887278201 /nfs/dbraw/zinc/27/82/01/887278201.db2.gz BOMSAUWUWYVWRZ-SGWGQVFISA-N 0 0 396.878 3.705 10 0 GHAERN CC[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)cc1F ZINC000129475412 887303056 /nfs/dbraw/zinc/30/30/56/887303056.db2.gz VVNIGYGMDSUSCE-SFHVURJKSA-N 0 0 376.451 3.814 10 0 GHAERN C[C@H]1CCCN(C(=O)C2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)C1 ZINC000048046525 887401920 /nfs/dbraw/zinc/40/19/20/887401920.db2.gz ZJXCHOOANAPCPX-HNNXBMFYSA-N 0 0 392.927 3.677 10 0 GHAERN COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)Nc2cccc(-c3cnco3)c2)cc1 ZINC000048282316 887428746 /nfs/dbraw/zinc/42/87/46/887428746.db2.gz DURZTOXCUWPADR-SHQCLWGWSA-N 0 0 391.427 3.507 10 0 GHAERN O=C(c1ccc(SC(F)F)cc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130460293 887436031 /nfs/dbraw/zinc/43/60/31/887436031.db2.gz IFTDIWFZZYMCHS-CZUORRHYSA-N 0 0 380.460 3.617 10 0 GHAERN CCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000049787085 887588654 /nfs/dbraw/zinc/58/86/54/887588654.db2.gz SKXUENPRGPYTSF-VQIMIIECSA-N 0 0 377.492 3.942 10 0 GHAERN COc1ccccc1[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C)c1noc(C)n1 ZINC000132290977 887640382 /nfs/dbraw/zinc/64/03/82/887640382.db2.gz SOQHLVARTHMOQN-GGPKGHCWSA-N 0 0 377.444 3.704 10 0 GHAERN CSc1ccc(O[C@H](C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000132518973 887666963 /nfs/dbraw/zinc/66/69/63/887666963.db2.gz XNSRZPYKZMFJTF-MRXNPFEDSA-N 0 0 385.533 3.664 10 0 GHAERN COc1ccc([C@H](NC(=O)Nc2cnc(Cl)cc2C)c2nccn2C)cc1 ZINC000133180647 887735933 /nfs/dbraw/zinc/73/59/33/887735933.db2.gz FTHQNJZMGJYHOJ-KRWDZBQOSA-N 0 0 385.855 3.697 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000134092259 887833700 /nfs/dbraw/zinc/83/37/00/887833700.db2.gz XMCOIMWRJMAXJC-ZWKOTPCHSA-N 0 0 399.539 3.567 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000134341021 887860648 /nfs/dbraw/zinc/86/06/48/887860648.db2.gz VAIDXOCXCOXJGG-DYESRHJHSA-N 0 0 391.471 3.798 10 0 GHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134338527 887860769 /nfs/dbraw/zinc/86/07/69/887860769.db2.gz AOKSUUFQXUDCNA-LQWHRVPQSA-N 0 0 398.551 3.771 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000134347531 887862137 /nfs/dbraw/zinc/86/21/37/887862137.db2.gz YJKWDGILOVVAHQ-HNAYVOBHSA-N 0 0 399.491 3.874 10 0 GHAERN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000135242358 888225257 /nfs/dbraw/zinc/22/52/57/888225257.db2.gz ABHPBTMFXUYLJO-OXJNMPFZSA-N 0 0 380.463 3.966 10 0 GHAERN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1nnc2n1CCCC2 ZINC000135275717 888227087 /nfs/dbraw/zinc/22/70/87/888227087.db2.gz POMLKUBKHSJAEB-INIZCTEOSA-N 0 0 376.460 3.684 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCCC3)ccc1OCC(C)C ZINC000135373004 888233114 /nfs/dbraw/zinc/23/31/14/888233114.db2.gz UHSIWKPALBFCDR-PXUDHTSWSA-N 0 0 398.507 3.548 10 0 GHAERN CCn1c(SCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)nnc1C1CC1 ZINC000053594188 888235982 /nfs/dbraw/zinc/23/59/82/888235982.db2.gz LEQDFFXVCVVLMR-QGZVFWFLSA-N 0 0 386.521 3.640 10 0 GHAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CCCC1)N1CCN(c2cccnn2)CC1 ZINC000105254418 888257134 /nfs/dbraw/zinc/25/71/34/888257134.db2.gz NMMSIXJOXOBBDT-HXUWFJFHSA-N 0 0 399.926 3.893 10 0 GHAERN CCCOCc1ccccc1CNC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000054038268 888261961 /nfs/dbraw/zinc/26/19/61/888261961.db2.gz RCPPRCBGQSEBHU-IBGZPJMESA-N 0 0 384.501 3.733 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136457372 888295787 /nfs/dbraw/zinc/29/57/87/888295787.db2.gz KUVXSKPHDWZTKG-WKULQNPOSA-N 0 0 396.462 3.770 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136457417 888296925 /nfs/dbraw/zinc/29/69/25/888296925.db2.gz KUVXSKPHDWZTKG-SRLORUBBSA-N 0 0 396.462 3.770 10 0 GHAERN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137002022 888328239 /nfs/dbraw/zinc/32/82/39/888328239.db2.gz IZIBRMVSGIHUOQ-INIZCTEOSA-N 0 0 381.354 3.708 10 0 GHAERN Cc1cc(C)n(-c2cccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)c2)n1 ZINC000137113433 888334961 /nfs/dbraw/zinc/33/49/61/888334961.db2.gz HKMDZHYUYYYFTJ-HXUWFJFHSA-N 0 0 377.448 3.569 10 0 GHAERN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056602937 888370006 /nfs/dbraw/zinc/37/00/06/888370006.db2.gz VJTQQDXQPWECGJ-GOSISDBHSA-N 0 0 394.519 3.577 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)c(C(=O)N(C)C(C)C)c3)CCO2)o1 ZINC000193733825 888520258 /nfs/dbraw/zinc/52/02/58/888520258.db2.gz MAFKAEFRBXKUDS-FQEVSTJZSA-N 0 0 399.491 3.982 10 0 GHAERN O=C(Nc1ccccc1I)[C@@H]1CCCc2cccnc21 ZINC000193761971 888521464 /nfs/dbraw/zinc/52/14/64/888521464.db2.gz DYADZOCAMGHHKX-GFCCVEGCSA-N 0 0 378.213 3.745 10 0 GHAERN O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000193760651 888521581 /nfs/dbraw/zinc/52/15/81/888521581.db2.gz ZKUYOSJJDYELRC-UHFFFAOYSA-N 0 0 377.444 3.960 10 0 GHAERN COc1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000064830627 888537483 /nfs/dbraw/zinc/53/74/83/888537483.db2.gz DQKAMIGDYCEKRF-UHFFFAOYSA-N 0 0 378.881 3.901 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1cccs1 ZINC000194028592 888548543 /nfs/dbraw/zinc/54/85/43/888548543.db2.gz XAMDZRZHPJEEML-QGZVFWFLSA-N 0 0 389.496 3.896 10 0 GHAERN COC[C@H](NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648429 888601754 /nfs/dbraw/zinc/60/17/54/888601754.db2.gz FFOBUKHIYBZJEQ-ROUUACIJSA-N 0 0 399.882 3.543 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000195079013 888644455 /nfs/dbraw/zinc/64/44/55/888644455.db2.gz XGMSSHVWKGMVSC-PCCBWWKXSA-N 0 0 399.441 3.613 10 0 GHAERN C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000195432263 888663331 /nfs/dbraw/zinc/66/33/31/888663331.db2.gz WFGIFSTXXFHYRZ-FUHIMQAGSA-N 0 0 379.504 3.749 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)CC2)nc1 ZINC000195317481 888678374 /nfs/dbraw/zinc/67/83/74/888678374.db2.gz CKXPYACZMYVOHJ-UHFFFAOYSA-N 0 0 396.510 3.849 10 0 GHAERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000245417156 888747438 /nfs/dbraw/zinc/74/74/38/888747438.db2.gz JNOOTUQECVWGII-BVKGVVEOSA-N 0 0 399.560 3.750 10 0 GHAERN CN1CC[C@H](CNC(=O)c2cccnc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660660 889181974 /nfs/dbraw/zinc/18/19/74/889181974.db2.gz FVBNZMJDLNLXDM-MLGOLLRUSA-N 0 0 382.266 3.950 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000245926180 890027873 /nfs/dbraw/zinc/02/78/73/890027873.db2.gz HPSCFJLKQAQXOB-NJDAHSKKSA-N 0 0 396.535 3.807 10 0 GHAERN CCO[C@@H]1C[C@@H](Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)C12CCCC2 ZINC000245935507 890047077 /nfs/dbraw/zinc/04/70/77/890047077.db2.gz WZJPGABFOMKPQX-KFKAGJAMSA-N 0 0 383.496 3.628 10 0 GHAERN O[C@H](C[C@@H]1COCCN1Cc1ncc(-c2cccc(Cl)c2)o1)c1ccco1 ZINC000245951431 890064202 /nfs/dbraw/zinc/06/42/02/890064202.db2.gz BBMRSRXNIBJBBI-IAGOWNOFSA-N 0 0 388.851 3.913 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C)nn2-c2ccccn2)C12CCCC2 ZINC000172689396 890084972 /nfs/dbraw/zinc/08/49/72/890084972.db2.gz KFWMEJGJLURNRN-IAGOWNOFSA-N 0 0 383.496 3.777 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)Nc3ccccc3C(=O)NC3CC3)cs2)o1 ZINC000105973142 891081765 /nfs/dbraw/zinc/08/17/65/891081765.db2.gz QTNQFQFXCHQXML-UHFFFAOYSA-N 0 0 381.457 3.785 10 0 GHAERN CN(C)c1nc2sc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2s1 ZINC000067048750 891140620 /nfs/dbraw/zinc/14/06/20/891140620.db2.gz JYEJVRPYJPMMFN-SNVBAGLBSA-N 0 0 378.548 3.900 10 0 GHAERN CC(C)(C)c1ncc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000067477808 891153923 /nfs/dbraw/zinc/15/39/23/891153923.db2.gz JXRJGKUDDFPUQL-UHFFFAOYSA-N 0 0 377.554 3.695 10 0 GHAERN CCCCC1CCC(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)CC1 ZINC000067552601 891155277 /nfs/dbraw/zinc/15/52/77/891155277.db2.gz REPSHEDGXMTBDI-UHFFFAOYSA-N 0 0 375.513 3.700 10 0 GHAERN COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000070931928 891222339 /nfs/dbraw/zinc/22/23/39/891222339.db2.gz RNWAVXOJWKCCHZ-DHZHZOJOSA-N 0 0 399.450 3.945 10 0 GHAERN O=C(c1ccc(F)c(F)c1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000071806111 891236190 /nfs/dbraw/zinc/23/61/90/891236190.db2.gz NHXPJPCTBYSVOF-UHFFFAOYSA-N 0 0 385.336 3.731 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246725858 891300763 /nfs/dbraw/zinc/30/07/63/891300763.db2.gz NTRUTERGQNCTIZ-NSISKUIASA-N 0 0 381.476 3.523 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc2)CCO1 ZINC000246846235 891316103 /nfs/dbraw/zinc/31/61/03/891316103.db2.gz ZMNJNFXNXWZEOX-JKSUJKDBSA-N 0 0 386.521 3.780 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247317033 891367318 /nfs/dbraw/zinc/36/73/18/891367318.db2.gz IMKSHFVUBVGTCL-KSZLIROESA-N 0 0 387.911 3.889 10 0 GHAERN COC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc(C(F)(F)F)c1 ZINC000248232708 891417899 /nfs/dbraw/zinc/41/78/99/891417899.db2.gz RMRZZIUJJODZIO-ZNMIVQPWSA-N 0 0 386.370 3.571 10 0 GHAERN CO[C@H](C)CCC(=O)N1C[C@@H](C)CN(C(=O)CC[C@H](C)OC)c2ccccc21 ZINC000248445788 891438129 /nfs/dbraw/zinc/43/81/29/891438129.db2.gz WNXNBMAYCQFXMB-NNZMDNLPSA-N 0 0 390.524 3.633 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248617472 891446453 /nfs/dbraw/zinc/44/64/53/891446453.db2.gz JLGVQYIIAZYFPU-UVFQYZLESA-N 0 0 375.488 3.745 10 0 GHAERN O=C(c1ccccc1)N1[C@@H]2CCCC[C@@H]2C[C@H]1c1nc(-c2cnccn2)no1 ZINC000248662801 891454528 /nfs/dbraw/zinc/45/45/28/891454528.db2.gz HINSDHWBXVSIDD-NXHRZFHOSA-N 0 0 375.432 3.673 10 0 GHAERN Cn1c(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000248668685 891455738 /nfs/dbraw/zinc/45/57/38/891455738.db2.gz ALAIIKFUZGKLEC-IAGOWNOFSA-N 0 0 386.883 3.817 10 0 GHAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248865523 891476288 /nfs/dbraw/zinc/47/62/88/891476288.db2.gz AVOQPHMQFICQDA-QFIXIFRTSA-N 0 0 391.508 3.878 10 0 GHAERN CN1CC[C@@H](NC(=O)Cc2cnc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249138691 891498486 /nfs/dbraw/zinc/49/84/86/891498486.db2.gz PFMMLBPRQYZAFE-IFMALSPDSA-N 0 0 381.426 3.617 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000249171519 891500009 /nfs/dbraw/zinc/50/00/09/891500009.db2.gz LJGZAYFANKFQFV-NMLBUPMWSA-N 0 0 386.517 3.561 10 0 GHAERN FC(F)(F)c1ccccc1N1CC[C@@H](N[C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249155767 891500258 /nfs/dbraw/zinc/50/02/58/891500258.db2.gz WRADEVBHULIRHO-CRAIPNDOSA-N 0 0 387.409 3.781 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccc([S@@](C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000252734126 891731485 /nfs/dbraw/zinc/73/14/85/891731485.db2.gz SKNBCHSISUKMJB-CVKDPSGVSA-N 0 0 398.528 3.682 10 0 GHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000333513422 902150077 /nfs/dbraw/zinc/15/00/77/902150077.db2.gz FOXBEPVUMAIYKR-DOTOQJQBSA-N 0 0 381.480 3.538 10 0 GHAERN Cc1ccc(Cc2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)c(Br)c1 ZINC000333805435 902339500 /nfs/dbraw/zinc/33/95/00/902339500.db2.gz GYFJBDFIJKIHDJ-CRAIPNDOSA-N 0 0 392.297 3.657 10 0 GHAERN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)cc12 ZINC000333985312 902480036 /nfs/dbraw/zinc/48/00/36/902480036.db2.gz FXSZDXSDCCWTFC-GRDNDAEWSA-N 0 0 399.491 3.768 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334024889 902509165 /nfs/dbraw/zinc/50/91/65/902509165.db2.gz GLBYTZWKKNMLGO-CVDCTZTESA-N 0 0 376.456 3.884 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334028117 902514814 /nfs/dbraw/zinc/51/48/14/902514814.db2.gz IYBKLUIVULMWGW-WIYYLYMNSA-N 0 0 383.536 3.887 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2cccnn2)CC1)c1c(F)cccc1Cl ZINC000176150472 905770270 /nfs/dbraw/zinc/77/02/70/905770270.db2.gz XUTBYFMDZNPMMU-GFCCVEGCSA-N 0 0 377.851 3.616 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)c2)cs1 ZINC000179356215 906482407 /nfs/dbraw/zinc/48/24/07/906482407.db2.gz GGFKVUWKQNARTC-QGZVFWFLSA-N 0 0 383.477 3.516 10 0 GHAERN O=C(Nc1nc2c(s1)CCCC2)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000180018983 906663061 /nfs/dbraw/zinc/66/30/61/906663061.db2.gz KITPEAMJIAXDPS-CQSZACIVSA-N 0 0 386.525 3.709 10 0 GHAERN CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(F)c1 ZINC000183421923 907386113 /nfs/dbraw/zinc/38/61/13/907386113.db2.gz DUVNIYKDYAOIGL-OAHLLOKOSA-N 0 0 389.431 3.658 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000185420315 907770921 /nfs/dbraw/zinc/77/09/21/907770921.db2.gz ZWGIBDIGBQLEFA-LBPRGKRZSA-N 0 0 387.337 3.644 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 ZINC000189071016 908278692 /nfs/dbraw/zinc/27/86/92/908278692.db2.gz RHRYXCNYNAZWLF-GXFFZTMASA-N 0 0 395.246 3.768 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000189074734 908279137 /nfs/dbraw/zinc/27/91/37/908279137.db2.gz MLIOBTCNHKKROU-DOTOQJQBSA-N 0 0 387.505 3.772 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)cs1 ZINC000189435122 908321929 /nfs/dbraw/zinc/32/19/29/908321929.db2.gz HPHIWLJNCXQLNW-AWEZNQCLSA-N 0 0 395.431 3.664 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000189434643 908322344 /nfs/dbraw/zinc/32/23/44/908322344.db2.gz ZZWIQJKHWHKQPB-RBUKOAKNSA-N 0 0 399.495 3.752 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C)c(-c3ncco3)c2)cs1 ZINC000189444811 908324265 /nfs/dbraw/zinc/32/42/65/908324265.db2.gz QOGIKTUNVUJBSH-KRWDZBQOSA-N 0 0 396.472 3.717 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000190025316 908406829 /nfs/dbraw/zinc/40/68/29/908406829.db2.gz QGNGRLQSSNYYSR-SJLPKXTDSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCOc2cccc3ccccc32)C1 ZINC000190056450 908414740 /nfs/dbraw/zinc/41/47/40/908414740.db2.gz ZQFURXDLWYUTIY-MJGOQNOKSA-N 0 0 395.459 3.679 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 ZINC000190060031 908415889 /nfs/dbraw/zinc/41/58/89/908415889.db2.gz OBLMKLFKPMPILB-KBSQKKJPSA-N 0 0 395.381 3.789 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190067494 908417801 /nfs/dbraw/zinc/41/78/01/908417801.db2.gz JVGLBCSMOUIEFQ-JSGCOSHPSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000190069034 908419160 /nfs/dbraw/zinc/41/91/60/908419160.db2.gz IPMVSWGPHSWAEJ-APWZRJJASA-N 0 0 391.427 3.809 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 ZINC000190083985 908422142 /nfs/dbraw/zinc/42/21/42/908422142.db2.gz RHRYXCNYNAZWLF-GWCFXTLKSA-N 0 0 395.246 3.768 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 ZINC000190113965 908429953 /nfs/dbraw/zinc/42/99/53/908429953.db2.gz ISNZJNKDZUSYBA-RDJZCZTQSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)cc2Cl)C1 ZINC000190141090 908437168 /nfs/dbraw/zinc/43/71/68/908437168.db2.gz ZYJZYKKSYDICBD-CZUORRHYSA-N 0 0 394.859 3.813 10 0 GHAERN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000191780307 908671588 /nfs/dbraw/zinc/67/15/88/908671588.db2.gz XZDFVJBJLUTLCE-IUODEOHRSA-N 0 0 393.875 3.631 10 0 GHAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192570634 908800058 /nfs/dbraw/zinc/80/00/58/908800058.db2.gz KEJIUIQSDIUBPP-GOEBONIOSA-N 0 0 391.313 3.890 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000103809599 911080519 /nfs/dbraw/zinc/08/05/19/911080519.db2.gz XTZFRJNTYTZIMA-UTKZUKDTSA-N 0 0 384.451 3.892 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)oc2c1C(=O)CCC2 ZINC000284720556 912003390 /nfs/dbraw/zinc/00/33/90/912003390.db2.gz VXEIIBUHZUGTLH-MRXNPFEDSA-N 0 0 381.476 3.697 10 0 GHAERN COc1cccc(-c2noc(CSc3nncn3CCc3cccs3)n2)c1 ZINC000360521327 916180417 /nfs/dbraw/zinc/18/04/17/916180417.db2.gz BRQLCJHNRSJLRL-UHFFFAOYSA-N 0 0 399.501 3.933 10 0 GHAERN Cc1cc(CN2CCn3c(nnc3-c3cccnc3)C2)c(OC(F)F)cc1C ZINC000371337376 924533705 /nfs/dbraw/zinc/53/37/05/924533705.db2.gz UKUUZONFDFRKBS-UHFFFAOYSA-N 0 0 385.418 3.574 10 0 GHAERN O=C(Nc1nc2ccccn2n1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000184403767 1014572023 /nfs/dbraw/zinc/57/20/23/1014572023.db2.gz XILCMHXRLSRSNK-INIZCTEOSA-N 0 0 387.447 3.531 10 0 GHAERN CCOCc1cccc(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000102537085 1014583664 /nfs/dbraw/zinc/58/36/64/1014583664.db2.gz DVVDLSJACSDDFW-GOSISDBHSA-N 0 0 383.492 3.880 10 0 GHAERN Cc1ccccc1CNC(=O)C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1 ZINC000013358844 230884493 /nfs/dbraw/zinc/88/44/93/230884493.db2.gz MABBHWZQTIPYGS-UHFFFAOYSA-N 0 0 381.501 3.706 10 0 GHAERN CC(C)(OC(=O)/C=C\c1ccc(O)cc1)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000090636269 209112428 /nfs/dbraw/zinc/11/24/28/209112428.db2.gz YPULLITUOWRRPG-DESYSQHQSA-N 0 0 392.407 3.837 10 0 GHAERN O=c1c(Br)c(Br)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022154539 206299158 /nfs/dbraw/zinc/29/91/58/206299158.db2.gz KMHJCRGJWVVKCZ-UHFFFAOYSA-N 0 0 397.976 3.776 10 0 GHAERN COc1ccccc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000003484026 206484173 /nfs/dbraw/zinc/48/41/73/206484173.db2.gz IMFZMBNBRUUFCB-UHFFFAOYSA-N 0 0 378.215 3.963 10 0 GHAERN CO[C@@H](c1ccc2c(c1)CN(C(=O)c1cnsn1)CCO2)C1CCCCC1 ZINC000014995319 207038745 /nfs/dbraw/zinc/03/87/45/207038745.db2.gz ZVUYKLWSBXGQLC-LJQANCHMSA-N 0 0 387.505 3.841 10 0 GHAERN CCOc1ccccc1N1C[C@H](C(=O)N[C@H](C)c2cccc(Cl)c2)CC1=O ZINC000016017957 207070211 /nfs/dbraw/zinc/07/02/11/207070211.db2.gz LGJCTMXZDUNACC-GDBMZVCRSA-N 0 0 386.879 3.969 10 0 GHAERN Cc1ccc2nc(Cn3c(Cc4ccccc4)nc4ccccc43)cc(=O)n2c1 ZINC000016043363 207071178 /nfs/dbraw/zinc/07/11/78/207071178.db2.gz QKZKKTGQSHKZQJ-UHFFFAOYSA-N 0 0 380.451 3.992 10 0 GHAERN Cc1cccc(N2CCN(C(=O)[C@H](C)n3sc4ccccc4c3=O)C[C@@H]2C)c1 ZINC000020467312 207197037 /nfs/dbraw/zinc/19/70/37/207197037.db2.gz XJQFOHYUOWFIDX-IRXDYDNUSA-N 0 0 395.528 3.670 10 0 GHAERN O=C(NC1CC1)c1ccccc1OCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000033310424 207453158 /nfs/dbraw/zinc/45/31/58/207453158.db2.gz FLHSNGINBFTKNQ-UHFFFAOYSA-N 0 0 396.462 3.649 10 0 GHAERN CC(C)CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036048921 207509701 /nfs/dbraw/zinc/50/97/01/207509701.db2.gz SZYHHKBWRVPHOG-VQTJNVASSA-N 0 0 386.442 3.593 10 0 GHAERN COc1nc2ccccc2nc1N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095076527 208152332 /nfs/dbraw/zinc/15/23/32/208152332.db2.gz YXQDCJNWQMIBIP-UHFFFAOYSA-N 0 0 386.496 3.722 10 0 GHAERN CC(=O)c1nc2cccnc2n1C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095082752 208153079 /nfs/dbraw/zinc/15/30/79/208153079.db2.gz BGTLGYVSDFSYIG-GOSISDBHSA-N 0 0 392.459 3.825 10 0 GHAERN O=C(OCc1ccccc1)N1CCCC[C@@H]1Cn1c(CO)nc2ccccc21 ZINC000095078386 208153237 /nfs/dbraw/zinc/15/32/37/208153237.db2.gz PBUFXRPMKPYHAA-GOSISDBHSA-N 0 0 379.460 3.720 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C[S@@](=O)c1cnc2ccccc2n1 ZINC000095086805 208155091 /nfs/dbraw/zinc/15/50/91/208155091.db2.gz IVCWCYDQUKXZDY-RXBISOJRSA-N 0 0 375.494 3.527 10 0 GHAERN CCC(=O)NCc1csc([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 ZINC000096372735 208309902 /nfs/dbraw/zinc/30/99/02/208309902.db2.gz XGOIDMLYEYTVGZ-NSHDSACASA-N 0 0 397.953 3.904 10 0 GHAERN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N[C@H](C)c2ccc(C)cc2C)o1 ZINC000096379609 208312436 /nfs/dbraw/zinc/31/24/36/208312436.db2.gz RJFUIKMHYYVMPM-GFCCVEGCSA-N 0 0 388.493 3.646 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1F ZINC000065289509 136162631 /nfs/dbraw/zinc/16/26/31/136162631.db2.gz LTFXJUPVHUVCQD-OAHLLOKOSA-N 0 0 398.482 3.604 10 0 GHAERN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cnc2ccccc2c1 ZINC000069593488 136165269 /nfs/dbraw/zinc/16/52/69/136165269.db2.gz JEDKRTGKWVYGRV-UHFFFAOYSA-N 0 0 380.879 3.649 10 0 GHAERN O=C(NC1CC1)c1ccc(OC[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000065179316 222107611 /nfs/dbraw/zinc/10/76/11/222107611.db2.gz GFJFEINRRBJQKA-HNNXBMFYSA-N 0 0 384.501 3.572 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095091798 535571990 /nfs/dbraw/zinc/57/19/90/535571990.db2.gz RQILZLKBWMUYIL-OAHLLOKOSA-N 0 0 386.496 3.912 10 0 GHAERN Cc1ccc(-c2nc3s/c(=C\c4c(Cl)cccc4Cl)c(=O)n3n2)cc1 ZINC000006503641 570482038 /nfs/dbraw/zinc/48/20/38/570482038.db2.gz MKSCIXJHCSYHOY-DHDCSXOGSA-N 0 0 388.279 3.981 10 0 GHAERN COc1ccccc1/C=C\c1nn2c(Cn3cnc4ccccc43)nnc2s1 ZINC000033936543 570515539 /nfs/dbraw/zinc/51/55/39/570515539.db2.gz PCXZJKRAZFXKRR-KHPPLWFESA-N 0 0 388.456 3.763 10 0 GHAERN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1OC ZINC000036051796 570523351 /nfs/dbraw/zinc/52/33/51/570523351.db2.gz ZWPIHQXYVBHNGE-NHCUHLMSSA-N 0 0 394.515 3.776 10 0 GHAERN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1c1cccc(F)c1 ZINC000036054728 570524140 /nfs/dbraw/zinc/52/41/40/570524140.db2.gz JDAJZTFOEXHVBE-RTBURBONSA-N 0 0 388.870 3.860 10 0 GHAERN COc1ccc(CCN2C(=O)CC[C@@H]3CN(C(=O)C4CCCCC4)CC[C@@H]32)cc1 ZINC000011871081 570588968 /nfs/dbraw/zinc/58/89/68/570588968.db2.gz BXKPAGJNEMGCIT-IRLDBZIGSA-N 0 0 398.547 3.658 10 0 GHAERN COc1ccc(Cn2c3ccccc3c(C[NH2+]C[C@@H]3CCCO3)c2C(=O)[O-])cc1 ZINC000006794038 570598205 /nfs/dbraw/zinc/59/82/05/570598205.db2.gz QVRMMYGURDNUEP-SFHVURJKSA-N 0 0 394.471 3.665 10 0 GHAERN Clc1ccc(-c2cnnc(N3CCC(OCc4ccccn4)CC3)n2)cc1 ZINC000012200102 570623835 /nfs/dbraw/zinc/62/38/35/570623835.db2.gz VPJOVBMDCYPYIA-UHFFFAOYSA-N 0 0 381.867 3.773 10 0 GHAERN O=C(c1n[nH]c2c1CCC2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012441197 570664516 /nfs/dbraw/zinc/66/45/16/570664516.db2.gz ZUOIJSXAQUPCMI-JOCHJYFZSA-N 0 0 383.455 3.563 10 0 GHAERN CCc1noc(-c2ccnc(-n3cnc(C(=O)Nc4ccc(C)c(C)c4)c3)c2)n1 ZINC000065250895 570749634 /nfs/dbraw/zinc/74/96/34/570749634.db2.gz DBAZYZOEOSBWEK-UHFFFAOYSA-N 0 0 388.431 3.749 10 0 GHAERN NC(=O)c1ccc([C@H]2CCCN2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192718 570946621 /nfs/dbraw/zinc/94/66/21/570946621.db2.gz NFTVWSVLBGXNQS-CQSZACIVSA-N 0 0 388.876 3.944 10 0 GHAERN O=C(Nc1ccc(OC(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000007272261 837416830 /nfs/dbraw/zinc/41/68/30/837416830.db2.gz NDHINKVSKSLWOC-UHFFFAOYSA-N 0 0 380.416 3.840 10 0 GHAERN Cc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1cccnc1 ZINC000000796447 834393115 /nfs/dbraw/zinc/39/31/15/834393115.db2.gz OCMPKMLWTCMPPY-UHFFFAOYSA-N 0 0 381.505 3.645 10 0 GHAERN Cc1csc([C@@H]2CCCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982719 834664688 /nfs/dbraw/zinc/66/46/88/834664688.db2.gz ZJZGMPHLDSJPGQ-CYBMUJFWSA-N 0 0 376.551 3.605 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NCc3nc(C4CC4)cs3)C2)c1 ZINC000157298239 834843709 /nfs/dbraw/zinc/84/37/09/834843709.db2.gz QNLPYUHSISVJFW-AWEZNQCLSA-N 0 0 387.505 3.737 10 0 GHAERN C[C@@H]1CCCC[C@@H]1c1noc(CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000329372381 834930394 /nfs/dbraw/zinc/93/03/94/834930394.db2.gz BBYAKKXFHIFFFM-ZCCHDVMBSA-N 0 0 394.475 3.862 10 0 GHAERN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@H]2CCCC[C@H]21 ZINC000068437275 834980735 /nfs/dbraw/zinc/98/07/35/834980735.db2.gz WRHCSMGKDSDVQK-KGLIPLIRSA-N 0 0 390.281 3.623 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)NCCc3ccc(Br)s3)C2)c1 ZINC000111810310 834997333 /nfs/dbraw/zinc/99/73/33/834997333.db2.gz JLOWXPVLMHRZIC-CYBMUJFWSA-N 0 0 397.342 3.605 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)CCO2)c1 ZINC000112122168 835051480 /nfs/dbraw/zinc/05/14/80/835051480.db2.gz LABFJKQLVLCDQS-HXUWFJFHSA-N 0 0 388.471 3.696 10 0 GHAERN O=C(CCc1ccnc2ccccc12)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000329565032 835251755 /nfs/dbraw/zinc/25/17/55/835251755.db2.gz HDOYMOSGIUATJB-UHFFFAOYSA-N 0 0 393.531 3.809 10 0 GHAERN O=S(=O)(Cc1noc2ccccc12)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000329603430 835339120 /nfs/dbraw/zinc/33/91/20/835339120.db2.gz YMOSHEVRPGENNF-WCQYABFASA-N 0 0 376.400 3.616 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245609343 844081252 /nfs/dbraw/zinc/08/12/52/844081252.db2.gz APKAEBFMTJADJA-JNAXZKDPSA-N 0 0 378.900 3.890 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)CCO2)o1 ZINC000159192130 835755348 /nfs/dbraw/zinc/75/53/48/835755348.db2.gz KOBOAXGHPMIJHR-MRXNPFEDSA-N 0 0 397.456 3.720 10 0 GHAERN COc1ccc(C2(CNC(=O)N3CCC(n4cncn4)CC3)CCCCC2)cc1 ZINC000101999727 835767396 /nfs/dbraw/zinc/76/73/96/835767396.db2.gz VDRNMFPHAWNVOK-UHFFFAOYSA-N 0 0 397.523 3.535 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC1(c3ccc(F)cc3)CCC1)C2 ZINC000112747400 836279498 /nfs/dbraw/zinc/27/94/98/836279498.db2.gz NFGUEXGANFIFPG-UHFFFAOYSA-N 0 0 384.499 3.872 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(OC4CCCCC4)cc3)CC2)n1 ZINC000117798773 836441939 /nfs/dbraw/zinc/44/19/39/836441939.db2.gz XEMOGVCSASEWJE-INIZCTEOSA-N 0 0 398.507 3.609 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000275295073 836606688 /nfs/dbraw/zinc/60/66/88/836606688.db2.gz BEJQLAUUWHJPNP-UWWQBHOKSA-N 0 0 386.496 3.555 10 0 GHAERN C[C@@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000102561861 837182059 /nfs/dbraw/zinc/18/20/59/837182059.db2.gz YXLFMBXREAYKFG-CYBMUJFWSA-N 0 0 393.422 3.960 10 0 GHAERN COCCOc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000103179997 837273020 /nfs/dbraw/zinc/27/30/20/837273020.db2.gz IQJJTAZAMCFEQS-JOCHJYFZSA-N 0 0 391.471 3.696 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1)C1CCCCC1 ZINC000177328349 837894219 /nfs/dbraw/zinc/89/42/19/837894219.db2.gz PKWZAPOJZMERSK-FQEVSTJZSA-N 0 0 384.524 3.907 10 0 GHAERN CC(C)[C@@H]1CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000114828079 838350945 /nfs/dbraw/zinc/35/09/45/838350945.db2.gz ARSOIDUOTZLDAJ-LMDPOFIKSA-N 0 0 395.613 3.588 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2Br)[nH]1 ZINC000407980418 838376088 /nfs/dbraw/zinc/37/60/88/838376088.db2.gz LLTPZCCMYIWDKK-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN C[C@@H]1C[N@@H+](CC2CCN(C(=O)Nc3nc4ccccc4s3)CC2)C[C@H](C)O1 ZINC000407990346 838440516 /nfs/dbraw/zinc/44/05/16/838440516.db2.gz NKZLZDZQSMXXJN-GASCZTMLSA-N 0 0 388.537 3.649 10 0 GHAERN Cc1cccc(C)c1OC1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 ZINC000376643849 838600001 /nfs/dbraw/zinc/60/00/01/838600001.db2.gz GFBSYFDDRFCVLQ-UHFFFAOYSA-N 0 0 380.479 3.650 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1F)CCCC2 ZINC000408018084 838631586 /nfs/dbraw/zinc/63/15/86/838631586.db2.gz PKYUYVHRFVLOFO-INIZCTEOSA-N 0 0 397.903 3.617 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330192985 838900775 /nfs/dbraw/zinc/90/07/75/838900775.db2.gz AEBGAOLQYAGXQF-XIKOKIGWSA-N 0 0 394.928 3.961 10 0 GHAERN CCCOc1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1OCCC ZINC000104747097 838976462 /nfs/dbraw/zinc/97/64/62/838976462.db2.gz OFPYVKOXTAJEAP-UHFFFAOYSA-N 0 0 384.476 3.941 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)c1cccnc1SCC1CCCCC1)CC2 ZINC000115387363 839126319 /nfs/dbraw/zinc/12/63/19/839126319.db2.gz ZFVFAYRCHAVIPP-INIZCTEOSA-N 0 0 399.564 3.653 10 0 GHAERN O=C(c1ccc(OC2CCCCC2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000117792592 839834856 /nfs/dbraw/zinc/83/48/56/839834856.db2.gz OBCHKXDMYPSHQO-UHFFFAOYSA-N 0 0 380.492 3.541 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247190081 840177870 /nfs/dbraw/zinc/17/78/70/840177870.db2.gz VHPAKBGEFCAWKW-VHDGCEQUSA-N 0 0 379.291 3.627 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@H]4[C@H]4CCCC[C@@H]4O)cc3c2C1 ZINC000408096012 840190167 /nfs/dbraw/zinc/19/01/67/840190167.db2.gz UKRRZXSSPYMVOE-XBQGDNKKSA-N 0 0 396.531 3.685 10 0 GHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000332732701 844526386 /nfs/dbraw/zinc/52/63/86/844526386.db2.gz NTMCLJCHNQETBP-GPMSIDNRSA-N 0 0 386.293 3.570 10 0 GHAERN Cc1nc(CCNC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)c(C)o1 ZINC000332732157 844526598 /nfs/dbraw/zinc/52/65/98/844526598.db2.gz NCLKTKLWXOSSOH-APWZRJJASA-N 0 0 389.293 3.617 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000332763212 844534411 /nfs/dbraw/zinc/53/44/11/844534411.db2.gz CSMDTFITCKDEDV-XYJFISCASA-N 0 0 390.528 3.649 10 0 GHAERN Cc1cc(C)n(Cc2cccc(-c3noc(C[C@@H]4C(=O)Nc5ccccc54)n3)c2)n1 ZINC000109586701 840462099 /nfs/dbraw/zinc/46/20/99/840462099.db2.gz URWKQOPRCZISHJ-IBGZPJMESA-N 0 0 399.454 3.877 10 0 GHAERN C/C(=C/c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000588397444 840735041 /nfs/dbraw/zinc/73/50/41/840735041.db2.gz DHSNBZCSXIEVGH-MNDPQUGUSA-N 0 0 376.500 3.953 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(Cc1csc(-c3ccc4c(c3)OCO4)n1)C2 ZINC000106373029 840931003 /nfs/dbraw/zinc/93/10/03/840931003.db2.gz ZAYCFDCSLRWDPC-UHFFFAOYSA-N 0 0 396.516 3.954 10 0 GHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000119427646 841064029 /nfs/dbraw/zinc/06/40/29/841064029.db2.gz WXEFUDDWSMGFPY-FQEVSTJZSA-N 0 0 380.488 3.636 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@H]2CCCOc3ccc(F)cc32)C1 ZINC000332890012 844611793 /nfs/dbraw/zinc/61/17/93/844611793.db2.gz DLARVMQZAFOMOM-WMZOPIPTSA-N 0 0 386.471 3.845 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3CCc3ccccc3)C2)nn1 ZINC000332873797 844617445 /nfs/dbraw/zinc/61/74/45/844617445.db2.gz FMFFXQUQMXVFBR-RTWAWAEBSA-N 0 0 393.535 3.561 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)C2)nn1 ZINC000332881161 844621201 /nfs/dbraw/zinc/62/12/01/844621201.db2.gz LTGMETLERAFEJK-DZGCQCFKSA-N 0 0 391.878 3.607 10 0 GHAERN CN(C(=O)c1cccc(OC2CCCCC2)c1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000121038377 841886866 /nfs/dbraw/zinc/88/68/66/841886866.db2.gz YIAOWVIVRNOCSX-LJQANCHMSA-N 0 0 394.519 3.929 10 0 GHAERN Cc1cc(C)cc([C@H]2CCN(C(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)c1 ZINC000588428524 842233612 /nfs/dbraw/zinc/23/36/12/842233612.db2.gz JCRJDMLIVYZIKB-QBUQCISBSA-N 0 0 398.528 3.704 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](c4noc(C(C)C)n4)C3)[nH]n2)cc1 ZINC000328827701 842333455 /nfs/dbraw/zinc/33/34/55/842333455.db2.gz IOFHCNKVYKBACA-MRXNPFEDSA-N 0 0 379.464 3.911 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000588434670 842517391 /nfs/dbraw/zinc/51/73/91/842517391.db2.gz SSZGCYMPJBVFIL-PLNGDYQASA-N 0 0 377.872 3.561 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)C12CCCCC2 ZINC000329370483 861337747 /nfs/dbraw/zinc/33/77/47/861337747.db2.gz ATGAGWOKBAAYDR-AKHDSKFASA-N 0 0 389.540 3.567 10 0 GHAERN COc1ccc(COCc2cccc(NC(=O)/C=C\c3ccncn3)c2)cc1 ZINC000588437678 842722775 /nfs/dbraw/zinc/72/27/75/842722775.db2.gz QYAFPEWORLRRBE-YFHOEESVSA-N 0 0 375.428 3.854 10 0 GHAERN CC(C)(C)OC(=O)N(CCNC(=O)/C=C\c1ccncn1)C1CCCCCC1 ZINC000588440336 842746147 /nfs/dbraw/zinc/74/61/47/842746147.db2.gz LNRABVWZIVBSPZ-KHPPLWFESA-N 0 0 388.512 3.566 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)cc1F ZINC000588440432 842749365 /nfs/dbraw/zinc/74/93/65/842749365.db2.gz SHFMZLRJRYHAFH-KSVUCXBSSA-N 0 0 384.451 3.641 10 0 GHAERN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247558361 842900198 /nfs/dbraw/zinc/90/01/98/842900198.db2.gz FRRKIMATOHZUGU-NHCUHLMSSA-N 0 0 395.551 3.576 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(c3ccc(C)cn3)CC2)o1 ZINC000163178104 842962913 /nfs/dbraw/zinc/96/29/13/842962913.db2.gz YBCIHKKZEQTINA-IBGZPJMESA-N 0 0 398.507 3.645 10 0 GHAERN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000328945193 843059952 /nfs/dbraw/zinc/05/99/52/843059952.db2.gz JNCDLAUGTOFGTR-FUHWJXTLSA-N 0 0 383.492 3.678 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)CCO2)o1 ZINC000161854156 843144945 /nfs/dbraw/zinc/14/49/45/843144945.db2.gz LPUBPIVJWHNONU-YOEHRIQHSA-N 0 0 388.468 3.863 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](c1cccs1)C(C)(C)C)CC2 ZINC000162129249 843205469 /nfs/dbraw/zinc/20/54/69/843205469.db2.gz LHVQIMMHHHMYTR-BBWFWOEESA-N 0 0 380.554 3.797 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 ZINC000162573814 843269085 /nfs/dbraw/zinc/26/90/85/843269085.db2.gz KWXNXXVNPDPJQJ-VOTSOKGWSA-N 0 0 375.419 3.516 10 0 GHAERN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)/C=C\c1ncccc1C ZINC000588451258 843297448 /nfs/dbraw/zinc/29/74/48/843297448.db2.gz VSNZDXJNWSPENR-HJWRWDBZSA-N 0 0 391.393 3.698 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000588452913 843318368 /nfs/dbraw/zinc/31/83/68/843318368.db2.gz ZNVPAXMEVOIMDY-WHLNPGIBSA-N 0 0 386.293 3.561 10 0 GHAERN Cc1[nH]c2c(cccc2C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1C ZINC000112306742 843351707 /nfs/dbraw/zinc/35/17/07/843351707.db2.gz KKDNEEAVOHOKOA-UHFFFAOYSA-N 0 0 381.501 3.835 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000112444073 843355579 /nfs/dbraw/zinc/35/55/79/843355579.db2.gz UFKKRMZRESBKTC-CQSZACIVSA-N 0 0 377.535 3.818 10 0 GHAERN CCOc1cc(/C=C\C(=O)NCc2nc3ccccc3n2C2CC2)ccc1O ZINC000588457079 843371708 /nfs/dbraw/zinc/37/17/08/843371708.db2.gz LQYWMMYSLAIJNZ-WQLSENKSSA-N 0 0 377.444 3.805 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000408395548 843470459 /nfs/dbraw/zinc/47/04/59/843470459.db2.gz NKKVVDUEOJGFOT-SJORKVTESA-N 0 0 375.423 3.636 10 0 GHAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121764706 843484779 /nfs/dbraw/zinc/48/47/79/843484779.db2.gz LQTPXHWEMBNCSW-KPZWWZAWSA-N 0 0 377.282 3.698 10 0 GHAERN Cc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000121780596 843486490 /nfs/dbraw/zinc/48/64/90/843486490.db2.gz QFEAAJILRSQLER-VGOFRKELSA-N 0 0 387.524 3.682 10 0 GHAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000408261146 843638263 /nfs/dbraw/zinc/63/82/63/843638263.db2.gz LVWHJYFEBOIKPJ-KRWDZBQOSA-N 0 0 395.906 3.710 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c(Br)s1 ZINC000408470431 844897797 /nfs/dbraw/zinc/89/77/97/844897797.db2.gz VUZJQGGFYMQRKG-XHBSWPGZSA-N 0 0 387.343 3.760 10 0 GHAERN CC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000150828465 845030960 /nfs/dbraw/zinc/03/09/60/845030960.db2.gz HHZNOSNISVUPMC-GOSISDBHSA-N 0 0 385.851 3.571 10 0 GHAERN O=C(Oc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151668549 845464276 /nfs/dbraw/zinc/46/42/76/845464276.db2.gz CCRVSFIXQNPQSN-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN CC(C)Cc1ccc(CCC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000151671812 845469881 /nfs/dbraw/zinc/46/98/81/845469881.db2.gz YBGSXBKHLHWVHB-RBBKRZOGSA-N 0 0 383.536 3.523 10 0 GHAERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cs1 ZINC000333528292 845728914 /nfs/dbraw/zinc/72/89/14/845728914.db2.gz PNCAQMBNCNPBSQ-DINUWMAGSA-N 0 0 375.538 3.565 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@H](O)CC12CCC2 ZINC000333526396 845732608 /nfs/dbraw/zinc/73/26/08/845732608.db2.gz LMCZFAGBRRDFSN-NSHDSACASA-N 0 0 380.901 3.713 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000151881096 845940390 /nfs/dbraw/zinc/94/03/90/845940390.db2.gz YWGXEXDPRDXIIV-FQEVSTJZSA-N 0 0 395.528 3.901 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@@H]1CCCO1 ZINC000329540970 861625548 /nfs/dbraw/zinc/62/55/48/861625548.db2.gz DEURLIXIKFHYIH-ULQDDVLXSA-N 0 0 376.545 3.755 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333531569 846229285 /nfs/dbraw/zinc/22/92/85/846229285.db2.gz YDPFFNYURAZUHW-BFHYXJOUSA-N 0 0 380.476 3.852 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)C2)n1 ZINC000246631718 846520156 /nfs/dbraw/zinc/52/01/56/846520156.db2.gz RLMQHJGEBBFQJH-FPDPHYFHSA-N 0 0 381.524 3.955 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000152337403 846715396 /nfs/dbraw/zinc/71/53/96/846715396.db2.gz DUBBVMUSYVGYRO-YJBOKZPZSA-N 0 0 381.476 3.855 10 0 GHAERN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588511463 846821140 /nfs/dbraw/zinc/82/11/40/846821140.db2.gz WXCLKYJPLRNPKV-QJWNTBNXSA-N 0 0 394.496 3.535 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(c2nnc3ccccn32)CC1 ZINC000119738566 846844180 /nfs/dbraw/zinc/84/41/80/846844180.db2.gz WGNVMLFGWIGQTO-MDZDMXLPSA-N 0 0 383.455 3.697 10 0 GHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c2ccccc2O1 ZINC000246663705 847340873 /nfs/dbraw/zinc/34/08/73/847340873.db2.gz LUOFYNOSHUEAAZ-IIMJZQEZSA-N 0 0 376.522 3.643 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@@H]3Oc4ccccc4NC3=O)C2)sc1C ZINC000329625565 861813902 /nfs/dbraw/zinc/81/39/02/861813902.db2.gz SVTOVWLUZSMTER-YOEHRIQHSA-N 0 0 385.489 3.905 10 0 GHAERN Cc1cc(F)cc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c3c2CCC3)c1 ZINC000333635572 847685168 /nfs/dbraw/zinc/68/51/68/847685168.db2.gz WMYSOJLXVNPQMV-HJPURHCSSA-N 0 0 397.494 3.576 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@@H](c3nccs3)C2)c2ccccc21 ZINC000329632904 861851713 /nfs/dbraw/zinc/85/17/13/861851713.db2.gz RZVWHGRZPHVSAT-IAGOWNOFSA-N 0 0 383.517 3.780 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@H](c3nccs3)C2)c2ccccc21 ZINC000329632906 861852658 /nfs/dbraw/zinc/85/26/58/861852658.db2.gz RZVWHGRZPHVSAT-SJORKVTESA-N 0 0 383.517 3.780 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000588540154 848034524 /nfs/dbraw/zinc/03/45/24/848034524.db2.gz HXUAVKZKXNDXOP-LOSCMBPPSA-N 0 0 378.394 3.848 10 0 GHAERN CC(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000329637398 861858824 /nfs/dbraw/zinc/85/88/24/861858824.db2.gz VPKQKCIKCQCMDP-MRXNPFEDSA-N 0 0 391.493 3.558 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)CC2)n1 ZINC000246712917 848493537 /nfs/dbraw/zinc/49/35/37/848493537.db2.gz YBWJNDBXQCSIFR-JTDSTZFVSA-N 0 0 397.523 3.659 10 0 GHAERN COc1cccc(-c2nc(CN3CCCC[C@H]3c3nc[nH]n3)cs2)c1OC ZINC000121666513 848807028 /nfs/dbraw/zinc/80/70/28/848807028.db2.gz TUTBLXJVZOGOSP-HNNXBMFYSA-N 0 0 385.493 3.673 10 0 GHAERN Cc1nc(CC(C)C)c(C(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000154391536 849272584 /nfs/dbraw/zinc/27/25/84/849272584.db2.gz YBWKQSULRAWNRA-UHFFFAOYSA-N 0 0 391.562 3.700 10 0 GHAERN CCOc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000154974693 849412390 /nfs/dbraw/zinc/41/23/90/849412390.db2.gz CUSJONUVTCJQHB-UHFFFAOYSA-N 0 0 387.867 3.625 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155812821 849657253 /nfs/dbraw/zinc/65/72/53/849657253.db2.gz KJOOXFASRBZQHT-HZPDHXFCSA-N 0 0 393.553 3.527 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000156458548 849921467 /nfs/dbraw/zinc/92/14/67/849921467.db2.gz AJXRDSFVEIKOSU-NRFANRHFSA-N 0 0 391.515 3.764 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000333682716 850394728 /nfs/dbraw/zinc/39/47/28/850394728.db2.gz AWSZDZMUHCQRIQ-OWSLCNJRSA-N 0 0 390.549 3.513 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cnn(Cc2ccccc2)c1 ZINC000101532004 851645187 /nfs/dbraw/zinc/64/51/87/851645187.db2.gz GLQIYENJVPXDBY-UHFFFAOYSA-N 0 0 390.418 3.698 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@H]1CCOC1 ZINC000329739614 862277627 /nfs/dbraw/zinc/27/76/27/862277627.db2.gz NNBPIYPMHUCXKC-IKGGRYGDSA-N 0 0 376.545 3.612 10 0 GHAERN CCOc1cccc([C@H](C)NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000102008646 852086918 /nfs/dbraw/zinc/08/69/18/852086918.db2.gz PSBUQBKJVIJGIC-IRXDYDNUSA-N 0 0 389.540 3.729 10 0 GHAERN CCOc1ccc(Oc2ccccc2NC(=O)NCCc2nc(C)no2)cc1 ZINC000102035610 852103375 /nfs/dbraw/zinc/10/33/75/852103375.db2.gz FAQIKYIUOKUXBD-UHFFFAOYSA-N 0 0 382.420 3.933 10 0 GHAERN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329832829 862357650 /nfs/dbraw/zinc/35/76/50/862357650.db2.gz LBDFFOQFZTVLJB-LJIGWXMPSA-N 0 0 381.501 3.923 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000329843814 862367635 /nfs/dbraw/zinc/36/76/35/862367635.db2.gz XNASETKVJCZXRR-NRSPTQNISA-N 0 0 394.519 3.795 10 0 GHAERN CN(C(=O)N[C@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000246850394 853315138 /nfs/dbraw/zinc/31/51/38/853315138.db2.gz VRXWJCAKBVDISS-FPOVZHCZSA-N 0 0 397.498 3.767 10 0 GHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334027897 853500125 /nfs/dbraw/zinc/50/01/25/853500125.db2.gz IRPMBGDIYVMRCT-TYILLQQXSA-N 0 0 396.409 3.927 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cs1 ZINC000330027825 862516538 /nfs/dbraw/zinc/51/65/38/862516538.db2.gz NPUYUPVYLYBULN-DKSSEZFCSA-N 0 0 383.517 3.725 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@@H](c4nccs4)C3)c12 ZINC000171854084 854054890 /nfs/dbraw/zinc/05/48/90/854054890.db2.gz RSFSPMSHYICRJY-MRXNPFEDSA-N 0 0 398.488 3.723 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)[nH]1 ZINC000328744639 854525107 /nfs/dbraw/zinc/52/51/07/854525107.db2.gz OXEHTWUEQJJUNI-PMPSAXMXSA-N 0 0 389.297 3.733 10 0 GHAERN CC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccc4c(n3)CCCC4)CCO2)n1 ZINC000328748576 854526997 /nfs/dbraw/zinc/52/69/97/854526997.db2.gz QLNVJGUBGIKNHB-KRWDZBQOSA-N 0 0 385.533 3.928 10 0 GHAERN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)C1 ZINC000328768953 854534949 /nfs/dbraw/zinc/53/49/49/854534949.db2.gz QMFVYEBDESSGER-LFDJNIOPSA-N 0 0 390.572 3.858 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)C1 ZINC000328873738 854592521 /nfs/dbraw/zinc/59/25/21/854592521.db2.gz YZHSGAUCJZAIKE-GFEQUFNTSA-N 0 0 390.572 3.716 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000328953039 854615274 /nfs/dbraw/zinc/61/52/74/854615274.db2.gz MFUPLKUKHBUTJM-VGOFRKELSA-N 0 0 392.503 3.998 10 0 GHAERN O=C(c1csc([C@H]2CCCO2)n1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124564443 854629761 /nfs/dbraw/zinc/62/97/61/854629761.db2.gz RKBQVGMZLDPMAC-GOEBONIOSA-N 0 0 378.881 3.942 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCC2 ZINC000328976922 854638351 /nfs/dbraw/zinc/63/83/51/854638351.db2.gz DCBTUKIWBAXDOJ-RSPOEFSDSA-N 0 0 389.540 3.738 10 0 GHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000124937911 854651354 /nfs/dbraw/zinc/65/13/54/854651354.db2.gz PKPQUHBXBYEZKF-GJZGRUSLSA-N 0 0 380.558 3.678 10 0 GHAERN CCn1cc(C2CCN(c3ccnc(N[C@H]4CCCO[C@H]4C(C)C)n3)CC2)cn1 ZINC000330120226 862591231 /nfs/dbraw/zinc/59/12/31/862591231.db2.gz GFFGJXGIHOFYLA-FPOVZHCZSA-N 0 0 398.555 3.693 10 0 GHAERN O=C(c1cccnc1SCC1CCCCC1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127047470 854784390 /nfs/dbraw/zinc/78/43/90/854784390.db2.gz ZPCGFGNKANGJCI-SFHVURJKSA-N 0 0 399.564 3.898 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330147903 862614589 /nfs/dbraw/zinc/61/45/89/862614589.db2.gz UJCCXEJRVGVAJO-YRISNDGFSA-N 0 0 382.508 3.824 10 0 GHAERN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127495968 854999491 /nfs/dbraw/zinc/99/94/91/854999491.db2.gz CIGRNIFRVAACKV-OAHLLOKOSA-N 0 0 378.501 3.658 10 0 GHAERN C[C@@H](c1ccccc1)S(=O)(=O)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000105713281 855135891 /nfs/dbraw/zinc/13/58/91/855135891.db2.gz CQRPYNQNHMXPAD-ZDUSSCGKSA-N 0 0 383.872 3.614 10 0 GHAERN COC(=O)c1ccc(CNC(=O)c2cc3ccc(Br)cc3[nH]2)cc1 ZINC000105771205 855141260 /nfs/dbraw/zinc/14/12/60/855141260.db2.gz DOCBYBDSWGTXOK-UHFFFAOYSA-N 0 0 387.233 3.647 10 0 GHAERN CCC[C@H](C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000105886605 855150603 /nfs/dbraw/zinc/15/06/03/855150603.db2.gz CNYHAFZGQXVWBJ-SFHVURJKSA-N 0 0 386.442 3.833 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000330192122 862650821 /nfs/dbraw/zinc/65/08/21/862650821.db2.gz XNQZCCUUTBYTMQ-JRBPQWBISA-N 0 0 387.524 3.511 10 0 GHAERN COCCCOC1CCN(S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000162706967 855214933 /nfs/dbraw/zinc/21/49/33/855214933.db2.gz VUCRRCCUXARVNI-UHFFFAOYSA-N 0 0 396.336 3.508 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@@H]1C ZINC000191458662 855648481 /nfs/dbraw/zinc/64/84/81/855648481.db2.gz SMXXCJPDXRAONH-STQMWFEESA-N 0 0 384.879 3.597 10 0 GHAERN C[C@H](NC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1)C(=O)N1CCCCC1 ZINC000183471376 855796635 /nfs/dbraw/zinc/79/66/35/855796635.db2.gz RTVWGPCQNAQOMI-LBPRGKRZSA-N 0 0 383.439 3.665 10 0 GHAERN CC(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000128723978 855886421 /nfs/dbraw/zinc/88/64/21/855886421.db2.gz LWMQAFCJNMZIKX-SFHVURJKSA-N 0 0 388.537 3.654 10 0 GHAERN O=C(c1ccoc1)N1CCC(C(=O)n2cccc/c2=N\C2CCCCC2)CC1 ZINC000028511820 856000971 /nfs/dbraw/zinc/00/09/71/856000971.db2.gz JKEBTDOFJGQBNT-BSYVCWPDSA-N 0 0 381.476 3.507 10 0 GHAERN C[C@H](NC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1Cl ZINC000103298174 856116022 /nfs/dbraw/zinc/11/60/22/856116022.db2.gz ZUTNQLGGJSGJPA-ZDUSSCGKSA-N 0 0 397.857 3.520 10 0 GHAERN CC1(C)C[C@@H](N2C(=O)N[C@@H](c3ccc4c(c3)CCO4)C2=O)c2ccccc2O1 ZINC000330299094 862761066 /nfs/dbraw/zinc/76/10/66/862761066.db2.gz MCGIHNZJXSUGMY-APWZRJJASA-N 0 0 378.428 3.721 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000105024650 856461936 /nfs/dbraw/zinc/46/19/36/856461936.db2.gz BTKXVUUQUNMIBU-NRFANRHFSA-N 0 0 389.455 3.664 10 0 GHAERN CC(C)(C)N1CC2=C(Oc3ccccc3[C@@H]2C2CN(C(C)(C)C)C(=O)C2=O)C1=O ZINC000048524390 856467061 /nfs/dbraw/zinc/46/70/61/856467061.db2.gz JUZIEHHYLJDPTM-QGZVFWFLSA-N 0 0 396.487 3.510 10 0 GHAERN COc1ccc([C@H](NC(=O)N[C@@H](C)c2ccccc2C)c2nccn2C)cc1 ZINC000045597935 856743056 /nfs/dbraw/zinc/74/30/56/856743056.db2.gz PHIVNIJKOYHOEB-JXFKEZNVSA-N 0 0 378.476 3.887 10 0 GHAERN Cc1nc(-c2ccccc2)c(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000172418390 857565972 /nfs/dbraw/zinc/56/59/72/857565972.db2.gz JFDWKBMYDSXNER-OAHLLOKOSA-N 0 0 381.505 3.578 10 0 GHAERN Cc1ccc2ncc(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)c(=O)n2c1 ZINC000129761627 857705590 /nfs/dbraw/zinc/70/55/90/857705590.db2.gz GRXZFHKPVJXSRO-GOSISDBHSA-N 0 0 389.455 3.569 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000131501693 857754380 /nfs/dbraw/zinc/75/43/80/857754380.db2.gz JXHJBGZXBRRRPG-GPMSIDNRSA-N 0 0 394.462 3.664 10 0 GHAERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129924957 858337634 /nfs/dbraw/zinc/33/76/34/858337634.db2.gz UMIICQPTFFBENR-GOEBONIOSA-N 0 0 384.501 3.819 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1ccc(Br)cn1 ZINC000281424762 863019612 /nfs/dbraw/zinc/01/96/12/863019612.db2.gz GCWYJGITSYVOKJ-GUDXXQAFSA-N 0 0 396.329 3.630 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133441675 858810217 /nfs/dbraw/zinc/81/02/17/858810217.db2.gz XBKNNYQPMAUGBO-HNNXBMFYSA-N 0 0 381.505 3.578 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000194572228 859064483 /nfs/dbraw/zinc/06/44/83/859064483.db2.gz ROZBCNWPMXQPJJ-GXTWGEPZSA-N 0 0 388.541 3.851 10 0 GHAERN Cc1ccc([C@H]2CSCCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161559715 859703684 /nfs/dbraw/zinc/70/36/84/859703684.db2.gz SVYWBKBJWRVNQB-QZTJIDSGSA-N 0 0 399.564 3.524 10 0 GHAERN Cn1nccc1C1CCN(C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 ZINC000158355963 859767944 /nfs/dbraw/zinc/76/79/44/859767944.db2.gz HNYGPPGYFKZMNS-UHFFFAOYSA-N 0 0 397.523 3.616 10 0 GHAERN C[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000172132196 860431841 /nfs/dbraw/zinc/43/18/41/860431841.db2.gz AEDGDKQRUMATPX-QFIPXVFZSA-N 0 0 380.492 3.504 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000172520347 860434139 /nfs/dbraw/zinc/43/41/39/860434139.db2.gz JMPAOSXAQCNSKE-WMZOPIPTSA-N 0 0 387.915 3.820 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000173083433 860436990 /nfs/dbraw/zinc/43/69/90/860436990.db2.gz LDJUQUBHKVXKEO-CQSZACIVSA-N 0 0 384.480 3.962 10 0 GHAERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173778976 860443489 /nfs/dbraw/zinc/44/34/89/860443489.db2.gz ZEGDNPKCLHXLPO-SFHVURJKSA-N 0 0 381.476 3.726 10 0 GHAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c4ncccc34)C2)n1 ZINC000173817316 860443500 /nfs/dbraw/zinc/44/35/00/860443500.db2.gz SUCQYBFHMVABPN-HNNXBMFYSA-N 0 0 387.530 3.876 10 0 GHAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)C1 ZINC000173949840 860444498 /nfs/dbraw/zinc/44/44/98/860444498.db2.gz ULASUHQFSRGQQX-JKSUJKDBSA-N 0 0 377.554 3.621 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N(C)[C@@H]3c3ccccc3)C2)n1 ZINC000173074108 860695797 /nfs/dbraw/zinc/69/57/97/860695797.db2.gz MZNVACGOVZHLHI-WSTZPKSXSA-N 0 0 397.544 3.767 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102940618 860909972 /nfs/dbraw/zinc/90/99/72/860909972.db2.gz RZSQBSWACATIRN-LJQANCHMSA-N 0 0 390.443 3.648 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC1(c3ccc(F)cc3)CCCC1)CC2 ZINC000158966943 861034111 /nfs/dbraw/zinc/03/41/11/861034111.db2.gz FPMNREBSEMZERM-QGZVFWFLSA-N 0 0 385.487 3.624 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)n1 ZINC000103181520 863903601 /nfs/dbraw/zinc/90/36/01/863903601.db2.gz DOQZIXFVOOUWAI-IBGZPJMESA-N 0 0 379.464 3.609 10 0 GHAERN Cc1cccc(NC(=O)CSCC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103204968 863909496 /nfs/dbraw/zinc/90/94/96/863909496.db2.gz AJFJDEWKQHINFI-UHFFFAOYSA-N 0 0 395.528 3.815 10 0 GHAERN CNC(=O)c1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)ccc1Cl ZINC000103236141 863918299 /nfs/dbraw/zinc/91/82/99/863918299.db2.gz ZBKMZRNFUSPSFN-UHFFFAOYSA-N 0 0 384.867 3.854 10 0 GHAERN Cc1cccc(-n2ccnc2S(=O)(=O)[C@@H](C)c2nc(C(C)(C)C)no2)c1C ZINC000103622413 864022375 /nfs/dbraw/zinc/02/23/75/864022375.db2.gz PPNXFFJMIWPGBO-AWEZNQCLSA-N 0 0 388.493 3.705 10 0 GHAERN Cc1nc(-c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)cc2)cs1 ZINC000103739090 864077445 /nfs/dbraw/zinc/07/74/45/864077445.db2.gz BJWPKMQAIDKHSH-UHFFFAOYSA-N 0 0 396.863 4.000 10 0 GHAERN CC[C@@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1OC(F)F ZINC000103859638 864100023 /nfs/dbraw/zinc/10/00/23/864100023.db2.gz MVXVQCBZXCRUGQ-DOTOQJQBSA-N 0 0 378.419 3.642 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@H]1CCc1ccccc1 ZINC000104282356 864240855 /nfs/dbraw/zinc/24/08/55/864240855.db2.gz VRFRZHYUOUGCRH-INIZCTEOSA-N 0 0 381.867 3.553 10 0 GHAERN COc1ccccc1CCN(C)CC(=O)Nc1ccc(C)cc1Br ZINC000104710510 864587043 /nfs/dbraw/zinc/58/70/43/864587043.db2.gz KWWKWSQJRHEPOX-UHFFFAOYSA-N 0 0 391.309 3.879 10 0 GHAERN Cc1occc1-c1nnc(SCc2nc3c4ccccc4oc3c(=O)[nH]2)o1 ZINC000104925026 864693816 /nfs/dbraw/zinc/69/38/16/864693816.db2.gz YVBMPFWAWJLXQL-UHFFFAOYSA-N 0 0 380.385 3.913 10 0 GHAERN O=C(c1cc(-c2ccco2)on1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678218 881864437 /nfs/dbraw/zinc/86/44/37/881864437.db2.gz DOALLFKPLIEEAV-UHFFFAOYSA-N 0 0 390.399 3.561 10 0 GHAERN COC(=O)c1sc(N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)nc1Cl ZINC000302185574 865755750 /nfs/dbraw/zinc/75/57/50/865755750.db2.gz HNCSMRWYDNAKHY-CYBMUJFWSA-N 0 0 397.859 3.628 10 0 GHAERN CC(=O)N1CC[C@H](Nc2nnc(-c3ccccn3)s2)c2ccc(F)cc2C1 ZINC000302190407 865758395 /nfs/dbraw/zinc/75/83/95/865758395.db2.gz KSBSRISLJRXAPZ-INIZCTEOSA-N 0 0 383.452 3.645 10 0 GHAERN CC(C)Oc1nccnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000302220968 865772883 /nfs/dbraw/zinc/77/28/83/865772883.db2.gz MGIYDXGRKSWBIS-UHFFFAOYSA-N 0 0 379.382 3.780 10 0 GHAERN COc1cccc(CNC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000101999778 866547541 /nfs/dbraw/zinc/54/75/41/866547541.db2.gz PSFUNWZFNLQBCO-GFCCVEGCSA-N 0 0 383.370 3.592 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113889813 866760461 /nfs/dbraw/zinc/76/04/61/866760461.db2.gz PCIDMXPZTQHCOH-XLIONFOSSA-N 0 0 388.471 3.670 10 0 GHAERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 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393.478 3.501 10 0 GHAERN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000171647686 882121267 /nfs/dbraw/zinc/12/12/67/882121267.db2.gz ILLMKQOCDBHCHM-HNNXBMFYSA-N 0 0 389.546 3.529 10 0 GHAERN COc1cc2c(cc1OC)C(=O)N[C@@H](c1c(Cl)n(C)nc1-c1ccccc1)N2 ZINC000172096162 882168482 /nfs/dbraw/zinc/16/84/82/882168482.db2.gz NNGMJRUXXMKYJF-IBGZPJMESA-N 0 0 398.850 3.612 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)NCc1csc(-c2ccccc2)n1 ZINC000172126568 882171837 /nfs/dbraw/zinc/17/18/37/882171837.db2.gz KCPNXSBVSSAQSW-QGZVFWFLSA-N 0 0 392.484 3.735 10 0 GHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1N1CCCS1(=O)=O ZINC000248449586 869105038 /nfs/dbraw/zinc/10/50/38/869105038.db2.gz XTXMJBJPODGIEV-RYQLBKOJSA-N 0 0 391.537 3.577 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000172462030 882278617 /nfs/dbraw/zinc/27/86/17/882278617.db2.gz QQQNCJGYQILJSH-ZDUSSCGKSA-N 0 0 376.547 3.718 10 0 GHAERN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)NC[C@H](CCO)c3ccccc3)nc2c1 ZINC000172638390 882281478 /nfs/dbraw/zinc/28/14/78/882281478.db2.gz BMRRQDPAKSGOCL-RXVVDRJESA-N 0 0 392.503 3.884 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000172639860 882282590 /nfs/dbraw/zinc/28/25/90/882282590.db2.gz KVXKSUUTJQQOFC-UYAOXDASSA-N 0 0 388.895 3.589 10 0 GHAERN CN(C)c1cccc([C@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000172639527 882282759 /nfs/dbraw/zinc/28/27/59/882282759.db2.gz HVFXRPQUBRWNNG-RBBKRZOGSA-N 0 0 381.520 3.765 10 0 GHAERN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccnc1-n1cncn1 ZINC000172695654 882285107 /nfs/dbraw/zinc/28/51/07/882285107.db2.gz BGYIUIIOJGVFHE-QGZVFWFLSA-N 0 0 390.491 3.735 10 0 GHAERN CC[C@@H](c1ccncc1)N(CC)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172482284 882287686 /nfs/dbraw/zinc/28/76/86/882287686.db2.gz YXQKRSIDGCKTQX-SFHVURJKSA-N 0 0 385.533 3.995 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000172749173 882305445 /nfs/dbraw/zinc/30/54/45/882305445.db2.gz WWKXIULZYPZCHD-UHFFFAOYSA-N 0 0 397.906 3.778 10 0 GHAERN C[C@@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000172792983 882308235 /nfs/dbraw/zinc/30/82/35/882308235.db2.gz SAHMPKXNYFQBGL-GFCCVEGCSA-N 0 0 378.881 3.953 10 0 GHAERN Cc1ccccc1O[C@@H](C)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172874736 882316724 /nfs/dbraw/zinc/31/67/24/882316724.db2.gz SBANYVYDZLNWMU-KRWDZBQOSA-N 0 0 398.478 3.570 10 0 GHAERN CC(C)COc1ccccc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172844907 882314126 /nfs/dbraw/zinc/31/41/26/882314126.db2.gz FDYUMLRMOAMGGB-IBGZPJMESA-N 0 0 381.476 3.750 10 0 GHAERN CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000172898653 882321708 /nfs/dbraw/zinc/32/17/08/882321708.db2.gz MNYPQENVGHAOSV-QGZVFWFLSA-N 0 0 385.533 3.939 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172966186 882326277 /nfs/dbraw/zinc/32/62/77/882326277.db2.gz RHLBDUHWPDBQMJ-UHFFFAOYSA-N 0 0 395.356 3.730 10 0 GHAERN Cc1nc([C@@H](NC(=O)c2ccc(Cl)nc2Cl)c2ccccc2F)no1 ZINC000114650198 869702666 /nfs/dbraw/zinc/70/26/66/869702666.db2.gz BBFQYPKZKYPLCA-ZDUSSCGKSA-N 0 0 381.194 3.738 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(CC(F)(F)F)c2ccccc2)CC1 ZINC000172990286 882329048 /nfs/dbraw/zinc/32/90/48/882329048.db2.gz HNGWVEZEARGGLY-UHFFFAOYSA-N 0 0 391.393 3.529 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)n1 ZINC000173431591 882359926 /nfs/dbraw/zinc/35/99/26/882359926.db2.gz SLDNBHCVXGRICM-IRXDYDNUSA-N 0 0 384.501 3.732 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2)CCO1 ZINC000173429366 882360099 /nfs/dbraw/zinc/36/00/99/882360099.db2.gz MNSYMHWCPBAVHO-XLIONFOSSA-N 0 0 380.492 3.630 10 0 GHAERN CC[C@H](NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O)c1nc(C(F)(F)F)cs1 ZINC000173737324 882371449 /nfs/dbraw/zinc/37/14/49/882371449.db2.gz PLKFZSCJSAPKTR-SCRDCRAPSA-N 0 0 385.411 3.571 10 0 GHAERN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(N2CCCC2)ccn1 ZINC000189382240 870298749 /nfs/dbraw/zinc/29/87/49/870298749.db2.gz PQQICKDRIATMEZ-MJGOQNOKSA-N 0 0 389.858 3.734 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(C3CC3)s2)cc1 ZINC000173937783 882395951 /nfs/dbraw/zinc/39/59/51/882395951.db2.gz GTVKDMWKYITKLX-HNNXBMFYSA-N 0 0 375.519 3.880 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2noc(C(C)(C)C)n2)cc1 ZINC000173781439 882402818 /nfs/dbraw/zinc/40/28/18/882402818.db2.gz FAPKTSGXYOCQBD-MRXNPFEDSA-N 0 0 389.521 3.973 10 0 GHAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046494418 870435671 /nfs/dbraw/zinc/43/56/71/870435671.db2.gz RYKXMDBRAYRXRE-SFTDATJTSA-N 0 0 390.487 3.902 10 0 GHAERN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174073206 882422697 /nfs/dbraw/zinc/42/26/97/882422697.db2.gz OCFNQXPXBJFSAQ-SJORKVTESA-N 0 0 389.515 3.513 10 0 GHAERN COc1cc(CCC(=O)N2CCC(Nc3ccccc3F)CC2)cc(OC)c1 ZINC000174077766 882422743 /nfs/dbraw/zinc/42/27/43/882422743.db2.gz JYMQYDRCNFUZHQ-UHFFFAOYSA-N 0 0 386.467 3.879 10 0 GHAERN Cn1nccc1C1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000102400600 870597892 /nfs/dbraw/zinc/59/78/92/870597892.db2.gz YVQDWUQJLHDZIY-UHFFFAOYSA-N 0 0 382.489 3.652 10 0 GHAERN O=C(c1ccco1)N1CCCC[C@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174087194 882424042 /nfs/dbraw/zinc/42/40/42/882424042.db2.gz NSIVHVUCMNQHIP-IBGZPJMESA-N 0 0 399.466 3.517 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N[C@H]1Cc2ccccc2[C@H]1O ZINC000174084630 882424204 /nfs/dbraw/zinc/42/42/04/882424204.db2.gz TVFCJGNAMVIHCA-DZGCQCFKSA-N 0 0 383.192 3.507 10 0 GHAERN C[C@@H](CCOc1ccccc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000174201911 882435108 /nfs/dbraw/zinc/43/51/08/882435108.db2.gz WLRQIVVNQTURIH-IBGZPJMESA-N 0 0 386.536 3.733 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000114826025 870752665 /nfs/dbraw/zinc/75/26/65/870752665.db2.gz OCVOOFPXOCOTLD-MRXNPFEDSA-N 0 0 399.495 3.866 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@@H](c2ccccc2)c2cccnc2)cn1 ZINC000102969586 870870370 /nfs/dbraw/zinc/87/03/70/870870370.db2.gz ZHRARYFURMUVGP-NRFANRHFSA-N 0 0 378.428 3.838 10 0 GHAERN Nn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccc(Cl)c1 ZINC000003546019 871088926 /nfs/dbraw/zinc/08/89/26/871088926.db2.gz QCWJMSRTQJZHNN-UHFFFAOYSA-N 0 0 384.852 3.655 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174733250 882498091 /nfs/dbraw/zinc/49/80/91/882498091.db2.gz YUGLQFCEOCEFMN-RUNBWSAHSA-N 0 0 394.406 3.725 10 0 GHAERN CN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174786433 882502140 /nfs/dbraw/zinc/50/21/40/882502140.db2.gz UMQYDOGXSUNPSW-WBVHZDCISA-N 0 0 382.913 3.783 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1c(F)cccc1Cl ZINC000174939661 882507813 /nfs/dbraw/zinc/50/78/13/882507813.db2.gz CYOFCLIWDJFMPW-CYBMUJFWSA-N 0 0 389.858 3.604 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000175130210 882526156 /nfs/dbraw/zinc/52/61/56/882526156.db2.gz POZYLBTUWJVREP-CTNGQTDRSA-N 0 0 393.418 3.580 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCCNC4=O)c3)C2)cc1 ZINC000175348603 882544477 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CCS[C@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000175881363 882610249 /nfs/dbraw/zinc/61/02/49/882610249.db2.gz BLRMCIGUKIVPIH-MOPGFXCFSA-N 0 0 395.613 3.875 10 0 GHAERN COc1cccc(CCC(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)o3)C2)c1 ZINC000102143264 872640459 /nfs/dbraw/zinc/64/04/59/872640459.db2.gz NCJVQJAQOOANSC-SFHVURJKSA-N 0 0 385.460 3.625 10 0 GHAERN O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@H]2CCCn3ccnc32)ccc1F ZINC000176054036 882661481 /nfs/dbraw/zinc/66/14/81/882661481.db2.gz NCZHNKXHMUFGOQ-KRWDZBQOSA-N 0 0 392.434 3.720 10 0 GHAERN CC(C)CCO[C@H]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)C1 ZINC000176321374 882677850 /nfs/dbraw/zinc/67/78/50/882677850.db2.gz NZSXZCVBXMNFFR-ZDUSSCGKSA-N 0 0 380.286 3.603 10 0 GHAERN CCCNC(=O)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000176551465 882714535 /nfs/dbraw/zinc/71/45/35/882714535.db2.gz QWXPIESSWTUMRV-UHFFFAOYSA-N 0 0 386.521 3.678 10 0 GHAERN CC(C)c1nccn1CCC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000176615031 882718399 /nfs/dbraw/zinc/71/83/99/882718399.db2.gz SCLXSJGYBYHMDK-SFHVURJKSA-N 0 0 394.519 3.540 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cc(F)ccc3Br)CC2)n1 ZINC000116671203 873616461 /nfs/dbraw/zinc/61/64/61/873616461.db2.gz XUMWUVZNDPTYRJ-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)/C=C/c3cnc4ccccc4n3)n2)c1 ZINC000102911052 873813103 /nfs/dbraw/zinc/81/31/03/873813103.db2.gz MFNPBRBBYMKJTE-MDZDMXLPSA-N 0 0 389.440 3.809 10 0 GHAERN COCCn1c(C)c(C)n(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S ZINC000102921220 873881425 /nfs/dbraw/zinc/88/14/25/873881425.db2.gz OFLWZZRBDMGQPS-KRWDZBQOSA-N 0 0 389.521 3.806 10 0 GHAERN CC(C)COC(=O)N1CCC(C(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000117723318 874149149 /nfs/dbraw/zinc/14/91/49/874149149.db2.gz OHAYSBPRCSNTHI-UHFFFAOYSA-N 0 0 376.522 3.868 10 0 GHAERN COc1cc(NC(=O)CN2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000117896673 874230636 /nfs/dbraw/zinc/23/06/36/874230636.db2.gz ULLVUSIRZDNLFJ-UHFFFAOYSA-N 0 0 388.489 3.502 10 0 GHAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000118434312 874527356 /nfs/dbraw/zinc/52/73/56/874527356.db2.gz RVKHSRZCEYMQDK-GFCCVEGCSA-N 0 0 391.455 3.763 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 ZINC000177682017 882842176 /nfs/dbraw/zinc/84/21/76/882842176.db2.gz MEEQMQBYGVOKDZ-PDFOZTTASA-N 0 0 393.422 3.577 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)NC1(c2cccc(Cl)c2)CCCC1 ZINC000177928854 882849368 /nfs/dbraw/zinc/84/93/68/882849368.db2.gz BETMHZGDKQEADL-UHFFFAOYSA-N 0 0 396.882 3.584 10 0 GHAERN Cc1ccc(-c2nc(SCC(=O)N3CCC[C@@H](c4nccs4)C3)n[nH]2)cc1 ZINC000178022177 882858027 /nfs/dbraw/zinc/85/80/27/882858027.db2.gz JUMMGAUZECNPQI-OAHLLOKOSA-N 0 0 399.545 3.735 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)on1 ZINC000178314444 882903847 /nfs/dbraw/zinc/90/38/47/882903847.db2.gz PQFRNWQTHDCKFW-QUCCMNQESA-N 0 0 380.469 3.663 10 0 GHAERN CC[C@H](COC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000105775171 875456931 /nfs/dbraw/zinc/45/69/31/875456931.db2.gz ZYOPSDBPJMNCEQ-CQSZACIVSA-N 0 0 388.514 3.726 10 0 GHAERN O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000174596030 875533810 /nfs/dbraw/zinc/53/38/10/875533810.db2.gz FPPWRZXFCXELDP-WBVHZDCISA-N 0 0 390.553 3.561 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(N2CCCC2=O)ccc1Cl ZINC000120101700 875576421 /nfs/dbraw/zinc/57/64/21/875576421.db2.gz HUWYIJNJBMXYHE-UHFFFAOYSA-N 0 0 382.807 3.769 10 0 GHAERN CCC(CC)c1cc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)on1 ZINC000120127947 875594234 /nfs/dbraw/zinc/59/42/34/875594234.db2.gz WJRFSZZTKRADBS-ZDUSSCGKSA-N 0 0 389.525 3.813 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCc3ccccc3[C@H]2C)c2ccccc2F)no1 ZINC000178891195 882962956 /nfs/dbraw/zinc/96/29/56/882962956.db2.gz CHKJVOIBFOWDQH-BFUOFWGJSA-N 0 0 380.423 3.935 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)c3nn(CC(C)C)cc3C(F)F)CCO2)c1 ZINC000120304069 875897379 /nfs/dbraw/zinc/89/73/79/875897379.db2.gz COOVJFVZBPYJCX-KRWDZBQOSA-N 0 0 393.434 3.699 10 0 GHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1cccnc1-n1cncn1)CCC2 ZINC000179322524 882988735 /nfs/dbraw/zinc/98/87/35/882988735.db2.gz SKHDXBFLKIWAIJ-HXUWFJFHSA-N 0 0 390.491 3.663 10 0 GHAERN C[C@@H](NC(=O)NCC1(C)CCCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179723920 882996143 /nfs/dbraw/zinc/99/61/43/882996143.db2.gz HOBHRHCXDMXZHM-CQSZACIVSA-N 0 0 384.517 3.950 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 ZINC000120668541 876194155 /nfs/dbraw/zinc/19/41/55/876194155.db2.gz YQMPLYKWDAHYRK-OAQYLSRUSA-N 0 0 389.446 3.791 10 0 GHAERN C[C@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179815621 883030573 /nfs/dbraw/zinc/03/05/73/883030573.db2.gz ZHSBANQROZYVSI-LBPRGKRZSA-N 0 0 392.427 3.874 10 0 GHAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000179832871 883031612 /nfs/dbraw/zinc/03/16/12/883031612.db2.gz YDSQYPMKVGPEPR-MRXNPFEDSA-N 0 0 399.401 3.529 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000179981135 883041319 /nfs/dbraw/zinc/04/13/19/883041319.db2.gz NBGZKYFZZUWBOL-SFHVURJKSA-N 0 0 391.389 3.649 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccc1NC(=O)c1ccco1 ZINC000180448847 883060159 /nfs/dbraw/zinc/06/01/59/883060159.db2.gz DZMXPUNCWZAQHQ-QGZVFWFLSA-N 0 0 393.447 3.733 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)cn1 ZINC000180568122 883081549 /nfs/dbraw/zinc/08/15/49/883081549.db2.gz ILBPKDYRSUVOJQ-UHFFFAOYSA-N 0 0 383.374 3.565 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cccc(C)c3Br)CC2)n1 ZINC000121948804 878062255 /nfs/dbraw/zinc/06/22/55/878062255.db2.gz JYOIXZKDEGVBEE-UHFFFAOYSA-N 0 0 388.309 3.860 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1F ZINC000121950621 878063415 /nfs/dbraw/zinc/06/34/15/878063415.db2.gz OZBCIHMXAYNPOB-UHFFFAOYSA-N 0 0 380.463 3.739 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000133646852 878997570 /nfs/dbraw/zinc/99/75/70/878997570.db2.gz HICLVRHXDGSBIG-CUDBPUKSSA-N 0 0 386.536 3.799 10 0 GHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122533737 879057903 /nfs/dbraw/zinc/05/79/03/879057903.db2.gz WWYWCSGCAAAPNY-CABCVRRESA-N 0 0 380.510 3.537 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000122642884 879236679 /nfs/dbraw/zinc/23/66/79/879236679.db2.gz VBKWQOHAGBSRKV-ZBFHGGJFSA-N 0 0 380.391 3.679 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122654895 879240991 /nfs/dbraw/zinc/24/09/91/879240991.db2.gz DEUIPWQVZGEXLC-SFTDATJTSA-N 0 0 379.435 3.740 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCO1 ZINC000181212287 883128045 /nfs/dbraw/zinc/12/80/45/883128045.db2.gz IIBGFOXHWAMXCI-UXHICEINSA-N 0 0 388.556 3.642 10 0 GHAERN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(C(=O)c3cccs3)CC1)[C@@H](C)C2 ZINC000181254316 883130394 /nfs/dbraw/zinc/13/03/94/883130394.db2.gz HANUNIURFLMKSZ-MGPUTAFESA-N 0 0 382.529 3.958 10 0 GHAERN COCCn1ccc2ccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)cc21 ZINC000181358720 883145655 /nfs/dbraw/zinc/14/56/55/883145655.db2.gz DAKJWTNSNRJJQF-IBGZPJMESA-N 0 0 395.484 3.729 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccnn3Cc3ccccn3)C2)cc1 ZINC000181178494 883151978 /nfs/dbraw/zinc/15/19/78/883151978.db2.gz ICSJMNXDJRRDQA-SJLPKXTDSA-N 0 0 391.475 3.745 10 0 GHAERN C[C@@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc2ccccc2c1 ZINC000181923716 883193701 /nfs/dbraw/zinc/19/37/01/883193701.db2.gz SZFMZWSONCNUMC-QGZVFWFLSA-N 0 0 377.488 3.538 10 0 GHAERN CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000098080155 883211091 /nfs/dbraw/zinc/21/10/91/883211091.db2.gz FGKQBGCEJLFITC-UHFFFAOYSA-N 0 0 391.924 3.958 10 0 GHAERN CC(=O)N(c1nc(CN2CCCC[C@H]2c2nc[nH]n2)cs1)c1ccccc1 ZINC000182719750 883233923 /nfs/dbraw/zinc/23/39/23/883233923.db2.gz VZUIENTVTCZLCU-KRWDZBQOSA-N 0 0 382.493 3.673 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cnn(CCC(F)(F)F)c3)C2)cc1 ZINC000182772843 883235150 /nfs/dbraw/zinc/23/51/50/883235150.db2.gz IJQQEWRPLPYOFL-UKRRQHHQSA-N 0 0 381.398 3.862 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000183151895 883241014 /nfs/dbraw/zinc/24/10/14/883241014.db2.gz OZYWIYUUBXAMTH-SNVBAGLBSA-N 0 0 393.369 3.854 10 0 GHAERN CC(C)c1ccc(NC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1F ZINC000184448783 883336473 /nfs/dbraw/zinc/33/64/73/883336473.db2.gz FGEZZXVYSBUERF-AWEZNQCLSA-N 0 0 387.419 3.636 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1cccs1 ZINC000184549755 883355747 /nfs/dbraw/zinc/35/57/47/883355747.db2.gz IDPMREVKTSTIJJ-BBRMVZONSA-N 0 0 378.519 3.663 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H](C(C)C)CC2)CC1 ZINC000184822857 883383524 /nfs/dbraw/zinc/38/35/24/883383524.db2.gz LXMPRFAGSOMIQN-WMZOPIPTSA-N 0 0 375.513 3.556 10 0 GHAERN Cc1c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cccc1OCC(F)(F)F ZINC000184816662 883383845 /nfs/dbraw/zinc/38/38/45/883383845.db2.gz FQHOZOWWPWFFRB-ZDUSSCGKSA-N 0 0 383.374 3.813 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000184830564 883384714 /nfs/dbraw/zinc/38/47/14/883384714.db2.gz DNYYWQAADAHANQ-QGZVFWFLSA-N 0 0 377.366 3.719 10 0 GHAERN CCC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185247104 883429648 /nfs/dbraw/zinc/42/96/48/883429648.db2.gz OZZMOFVLADNUSD-UYAOXDASSA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cc(F)c(F)cc2F)c2ccc(F)cc2C1 ZINC000185316212 883453595 /nfs/dbraw/zinc/45/35/95/883453595.db2.gz ASRCYFWTJYSECV-KRWDZBQOSA-N 0 0 395.356 3.858 10 0 GHAERN CCOc1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C ZINC000185521747 883550465 /nfs/dbraw/zinc/55/04/65/883550465.db2.gz LDNSWRLZOAQUMD-FQEVSTJZSA-N 0 0 384.451 3.756 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCCOc2ccccc2C)c2ccc(F)cc2C1 ZINC000185552959 883555155 /nfs/dbraw/zinc/55/51/55/883555155.db2.gz CPAGZDMRFQUBON-NRFANRHFSA-N 0 0 398.478 3.903 10 0 GHAERN CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559246 883556468 /nfs/dbraw/zinc/55/64/68/883556468.db2.gz HBHUEZZICXKEEG-SFTDATJTSA-N 0 0 398.478 3.901 10 0 GHAERN CS[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185558444 883556886 /nfs/dbraw/zinc/55/68/86/883556886.db2.gz LRTZENRYRDHGBK-WOJBJXKFSA-N 0 0 386.492 3.840 10 0 GHAERN COc1cccc(Cl)c1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185567731 883558150 /nfs/dbraw/zinc/55/81/50/883558150.db2.gz XBAOFENMUZDIIL-KRWDZBQOSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)/C=C/SCc2ccco2)c2ccc(F)cc2C1 ZINC000185567485 883558423 /nfs/dbraw/zinc/55/84/23/883558423.db2.gz NWVCQSPGFZWBTF-QPGLYAHGSA-N 0 0 388.464 3.775 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000185657122 883572230 /nfs/dbraw/zinc/57/22/30/883572230.db2.gz GFMZPVFUAPPATB-HZPDHXFCSA-N 0 0 389.421 3.696 10 0 GHAERN CC(=O)[C@@H](C)CCCCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185688289 883573097 /nfs/dbraw/zinc/57/30/97/883573097.db2.gz FMCXAHZHVYXRIC-VBKZILBWSA-N 0 0 376.472 3.521 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000185688322 883573252 /nfs/dbraw/zinc/57/32/52/883573252.db2.gz QEHAODQZPSIMMI-MRXNPFEDSA-N 0 0 385.418 3.756 10 0 GHAERN Cc1cccc([C@H](N[C@H]2CCS(=O)(=O)c3ccccc32)c2ccccn2)c1 ZINC000186305819 883630424 /nfs/dbraw/zinc/63/04/24/883630424.db2.gz ABMVYXKYIOXVLG-UGKGYDQZSA-N 0 0 378.497 3.988 10 0 GHAERN O=S1(=O)CC[C@H](N[C@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000186306252 883630649 /nfs/dbraw/zinc/63/06/49/883630649.db2.gz OYYHGIFQPCPGII-GHTZIAJQSA-N 0 0 382.460 3.818 10 0 GHAERN COc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)ccc1OC(C)C ZINC000186266701 883634199 /nfs/dbraw/zinc/63/41/99/883634199.db2.gz YMPYELJZOCHEPA-UHFFFAOYSA-N 0 0 386.496 3.703 10 0 GHAERN O=C(N1CCCN(c2ccccn2)CC1)C1(c2ccccc2Cl)CCOCC1 ZINC000186512217 883660009 /nfs/dbraw/zinc/66/00/09/883660009.db2.gz JYIOLFPZUXMRAP-UHFFFAOYSA-N 0 0 399.922 3.522 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)ccc2NC1=O ZINC000186702688 883693825 /nfs/dbraw/zinc/69/38/25/883693825.db2.gz AJTBWVIIRMBZNI-QRWLVFNGSA-N 0 0 394.475 3.953 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)CC2)n1 ZINC000186770475 883711229 /nfs/dbraw/zinc/71/12/29/883711229.db2.gz FBRGGFOANVJOLS-PMACEKPBSA-N 0 0 390.487 3.799 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000186848612 883723861 /nfs/dbraw/zinc/72/38/61/883723861.db2.gz HIONITQZTHPMBI-CQSZACIVSA-N 0 0 378.425 3.588 10 0 GHAERN Cc1cc(C)c(NC(=O)N2CCC(n3cncn3)CC2)cc1Br ZINC000187520485 883797903 /nfs/dbraw/zinc/79/79/03/883797903.db2.gz GMQRYZBIMLASBJ-UHFFFAOYSA-N 0 0 378.274 3.526 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1-n1cccn1 ZINC000187567664 883800205 /nfs/dbraw/zinc/80/02/05/883800205.db2.gz WSVVUWKPNYUJTB-OAHLLOKOSA-N 0 0 396.520 3.676 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1noc(-c2ccccc2)n1 ZINC000187582654 883800798 /nfs/dbraw/zinc/80/07/98/883800798.db2.gz XZPJXTFFRNGRRW-CYBMUJFWSA-N 0 0 398.492 3.540 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000187998924 883824128 /nfs/dbraw/zinc/82/41/28/883824128.db2.gz NPNXXWGGMWFARL-SFHVURJKSA-N 0 0 388.427 3.599 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000188423374 883849951 /nfs/dbraw/zinc/84/99/51/883849951.db2.gz ZZEJLMRMEXHMOK-FPOVZHCZSA-N 0 0 380.488 3.684 10 0 GHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)ncc1Cl ZINC000188901486 883884452 /nfs/dbraw/zinc/88/44/52/883884452.db2.gz OIUYWHORCSMZHM-STQMWFEESA-N 0 0 383.677 3.608 10 0 GHAERN Cn1ccnc1-c1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188878202 883890505 /nfs/dbraw/zinc/89/05/05/883890505.db2.gz OLQIMELSJLTZQK-UHFFFAOYSA-N 0 0 382.493 3.652 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1Cl ZINC000188968548 883893660 /nfs/dbraw/zinc/89/36/60/883893660.db2.gz OYCQKXPJKOPNKE-UHFFFAOYSA-N 0 0 394.884 3.692 10 0 GHAERN O=C(Nc1ccc(F)cc1OC(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189035395 883899251 /nfs/dbraw/zinc/89/92/51/883899251.db2.gz SNMWQKUPLNKRSB-UHFFFAOYSA-N 0 0 386.399 3.992 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CSCC(=O)Nc2ccc(F)cc2)cs1 ZINC000189250450 883925554 /nfs/dbraw/zinc/92/55/54/883925554.db2.gz LWARHYCWPSVFDX-INIZCTEOSA-N 0 0 393.509 3.626 10 0 GHAERN O=C(CCc1nnc(-c2ccccc2)o1)N1CC2(CCOCC2)c2ccccc21 ZINC000189834830 884015211 /nfs/dbraw/zinc/01/52/11/884015211.db2.gz YHYLASPYTNMLGC-UHFFFAOYSA-N 0 0 389.455 3.764 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000190022345 884043801 /nfs/dbraw/zinc/04/38/01/884043801.db2.gz JPQBZTCJPPULGP-CZUORRHYSA-N 0 0 398.290 3.996 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(Nc2nccs2)CC1 ZINC000190116051 884046106 /nfs/dbraw/zinc/04/61/06/884046106.db2.gz UWVPFKFSOVEXKU-DGCLKSJQSA-N 0 0 376.448 3.850 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152875 884049572 /nfs/dbraw/zinc/04/95/72/884049572.db2.gz CCRLKUGASUYYCJ-WIYYLYMNSA-N 0 0 389.459 3.679 10 0 GHAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190284718 884064606 /nfs/dbraw/zinc/06/46/06/884064606.db2.gz KOPDNOVEKZLKBU-ZDUSSCGKSA-N 0 0 386.402 3.682 10 0 GHAERN O=C(Cc1ccccc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190381703 884074075 /nfs/dbraw/zinc/07/40/75/884074075.db2.gz WPLRVQSBXAJZOY-UHFFFAOYSA-N 0 0 380.311 3.551 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC(Nc2nccs2)CC1 ZINC000190394331 884074603 /nfs/dbraw/zinc/07/46/03/884074603.db2.gz MCMMUKKVHUREIB-UHFFFAOYSA-N 0 0 397.504 3.619 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000190614272 884103624 /nfs/dbraw/zinc/10/36/24/884103624.db2.gz UHNFHXVEPSAIIK-GFCCVEGCSA-N 0 0 398.207 3.808 10 0 GHAERN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)N[C@H](c1ccco1)c1ccccc1 ZINC000105092678 884167623 /nfs/dbraw/zinc/16/76/23/884167623.db2.gz YUUHNRKMCGVFOK-AVRDEDQJSA-N 0 0 389.455 3.753 10 0 GHAERN O=C(NCC1CCC2(CC1)OCCO2)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000192336739 884253061 /nfs/dbraw/zinc/25/30/61/884253061.db2.gz NTSTZCNPBYEWFP-KRWDZBQOSA-N 0 0 399.491 3.650 10 0 GHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000192567011 884281293 /nfs/dbraw/zinc/28/12/93/884281293.db2.gz YUJWMAPJSVTJAJ-UHFFFAOYSA-N 0 0 396.249 3.516 10 0 GHAERN O=C(Nc1ccc2ncsc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192680163 884288092 /nfs/dbraw/zinc/28/80/92/884288092.db2.gz SNUBQQGHSZNJFD-UHFFFAOYSA-N 0 0 383.448 3.926 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000192952705 884316371 /nfs/dbraw/zinc/31/63/71/884316371.db2.gz ZJDJTYSBROYZTP-HZPDHXFCSA-N 0 0 386.377 3.706 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1)C2 ZINC000193406573 884351065 /nfs/dbraw/zinc/35/10/65/884351065.db2.gz IDHDPWPJNIAFQO-IFMALSPDSA-N 0 0 378.472 3.698 10 0 GHAERN CCc1cc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)n[nH]1 ZINC000102785117 884454169 /nfs/dbraw/zinc/45/41/69/884454169.db2.gz SYZPZIWKLIBPJL-SFHVURJKSA-N 0 0 393.447 3.503 10 0 GHAERN Cc1ccccc1C(=O)NCC(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000102900716 884610066 /nfs/dbraw/zinc/61/00/66/884610066.db2.gz REWPEVFHTOLBJG-UHFFFAOYSA-N 0 0 386.864 3.535 10 0 GHAERN Cc1cccc(C)c1NC(=O)CCC[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711361 884840807 /nfs/dbraw/zinc/84/08/07/884840807.db2.gz NUMORXMOXIOKME-MHZLTWQESA-N 0 0 387.461 3.614 10 0 GHAERN CC(C)(C)NC(=O)CSCc1nc(-c2cc(Br)cs2)no1 ZINC000105633382 884866389 /nfs/dbraw/zinc/86/63/89/884866389.db2.gz QOBGCJNIJQHLJF-UHFFFAOYSA-N 0 0 390.328 3.709 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)c1ccccc1 ZINC000105987768 884941367 /nfs/dbraw/zinc/94/13/67/884941367.db2.gz BJMFHHDANOGMBT-IBGZPJMESA-N 0 0 377.444 3.605 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000104459458 885453050 /nfs/dbraw/zinc/45/30/50/885453050.db2.gz HBKWDLRZISWRLC-UHFFFAOYSA-N 0 0 379.460 3.769 10 0 GHAERN COc1ccccc1CCN(C)C(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000104461248 885459084 /nfs/dbraw/zinc/45/90/84/885459084.db2.gz BEOGUAHEMCDFSR-UHFFFAOYSA-N 0 0 386.536 3.561 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCC(n2ccnc2)CC1 ZINC000101863067 885959236 /nfs/dbraw/zinc/95/92/36/885959236.db2.gz DHVANELSGHAUQX-VMPITWQZSA-N 0 0 388.471 3.734 10 0 GHAERN CC(C)COC1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000102567178 885973195 /nfs/dbraw/zinc/97/31/95/885973195.db2.gz SZZHBDVLECREGT-UHFFFAOYSA-N 0 0 389.471 3.870 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3csc(C(C)(C)C)n3)cc2)n1 ZINC000102637785 885973499 /nfs/dbraw/zinc/97/34/99/885973499.db2.gz DHFKESJYZQZXCA-UHFFFAOYSA-N 0 0 382.489 3.681 10 0 GHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCC(c2nnc3ccccn32)CC1 ZINC000105046966 886007404 /nfs/dbraw/zinc/00/74/04/886007404.db2.gz IPSUIXPQOWSHTB-UHFFFAOYSA-N 0 0 375.354 3.558 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000105050467 886009548 /nfs/dbraw/zinc/00/95/48/886009548.db2.gz ILNNDAKVNSHLBQ-IBGZPJMESA-N 0 0 393.487 3.843 10 0 GHAERN Cc1nnc([C@H]2Cc3ccccc3CN2c2cc(C)nc(-c3ccncc3)n2)o1 ZINC000112075273 886249244 /nfs/dbraw/zinc/24/92/44/886249244.db2.gz JWTIGHGMWUFBGX-LJQANCHMSA-N 0 0 384.443 3.842 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000112855611 886274319 /nfs/dbraw/zinc/27/43/19/886274319.db2.gz IDWVIECFVMHGAO-MOPGFXCFSA-N 0 0 390.474 3.710 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(Cc2csc(C)n2)CC1)c1cccs1 ZINC000116535106 886365709 /nfs/dbraw/zinc/36/57/09/886365709.db2.gz NTMLNYRBQNRMTP-INIZCTEOSA-N 0 0 378.567 3.882 10 0 GHAERN COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116942846 886374347 /nfs/dbraw/zinc/37/43/47/886374347.db2.gz LHISXYGFOJVPBN-OAHLLOKOSA-N 0 0 386.471 3.567 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)C2)n1 ZINC000119247341 886440571 /nfs/dbraw/zinc/44/05/71/886440571.db2.gz KQJSHWKWAZRRSH-OXJNMPFZSA-N 0 0 385.487 3.533 10 0 GHAERN COc1cc(F)c([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000119483306 886463605 /nfs/dbraw/zinc/46/36/05/886463605.db2.gz NFUPKROEKKUJBF-ORAYPTAESA-N 0 0 392.427 3.588 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)C2)sc1C ZINC000332900276 886558010 /nfs/dbraw/zinc/55/80/10/886558010.db2.gz ONZHJAGQFOEMOH-DYVFJYSZSA-N 0 0 377.554 3.551 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000332979523 886564008 /nfs/dbraw/zinc/56/40/08/886564008.db2.gz PULBJULZQWGVJY-IWFBPKFRSA-N 0 0 390.549 3.569 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3cccc(NC(C)=O)c3)C2)cc1 ZINC000123639612 886657383 /nfs/dbraw/zinc/65/73/83/886657383.db2.gz NDDJOINTYNNWGS-KXBFYZLASA-N 0 0 381.476 3.741 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000123850882 886681304 /nfs/dbraw/zinc/68/13/04/886681304.db2.gz VVCPWOHZDIFKEI-ZWKOTPCHSA-N 0 0 380.444 3.527 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)NC[C@@H](O)Cc1ccccc1 ZINC000104916888 886725276 /nfs/dbraw/zinc/72/52/76/886725276.db2.gz XVKVNRFPVLYSAV-INIZCTEOSA-N 0 0 384.863 3.647 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@H]2CCc3ccccc3C2)c2ccccc2F)no1 ZINC000124566434 886766142 /nfs/dbraw/zinc/76/61/42/886766142.db2.gz IXHNKPNIVJQOLR-FXAWDEMLSA-N 0 0 394.450 3.805 10 0 GHAERN CCSCC[C@@H](C)N(C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124658033 886780570 /nfs/dbraw/zinc/78/05/70/886780570.db2.gz QMHCJPAKKQSCNT-MLGOLLRUSA-N 0 0 380.489 3.780 10 0 GHAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@H](c2nccs2)C1 ZINC000126222709 886946931 /nfs/dbraw/zinc/94/69/31/886946931.db2.gz UUMNGMMOWYDXTQ-LBPRGKRZSA-N 0 0 396.310 3.700 10 0 GHAERN C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ncc(-c2ccccc2)o1 ZINC000126308557 886956363 /nfs/dbraw/zinc/95/63/63/886956363.db2.gz JOHIJSUPRZVCPK-MRXNPFEDSA-N 0 0 389.455 3.955 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 ZINC000127138362 887035107 /nfs/dbraw/zinc/03/51/07/887035107.db2.gz XIYHEMLHDBEZAP-UHFFFAOYSA-N 0 0 395.381 3.579 10 0 GHAERN O=C(NC(c1cccs1)c1cccs1)NC1CCN(c2ncccn2)CC1 ZINC000127430842 887062620 /nfs/dbraw/zinc/06/26/20/887062620.db2.gz XMPOBXXEPSZFAA-UHFFFAOYSA-N 0 0 399.545 3.657 10 0 GHAERN Fc1cc(-c2noc(CN[C@@H]3CCCC[C@H]3n3cccn3)n2)cc(F)c1F ZINC000127923204 887123742 /nfs/dbraw/zinc/12/37/42/887123742.db2.gz HJXDDOQNAWMDMP-HUUCEWRRSA-N 0 0 377.370 3.624 10 0 GHAERN COc1ccc([C@H](NC(=O)N2CCC(Cc3nccn3C)CC2)C(C)C)cc1 ZINC000128062018 887142345 /nfs/dbraw/zinc/14/23/45/887142345.db2.gz HMAZBYBIOYQYRL-OAQYLSRUSA-N 0 0 384.524 3.790 10 0 GHAERN CCn1nccc1C=CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000129119881 887262539 /nfs/dbraw/zinc/26/25/39/887262539.db2.gz YTOAVIDLGFZWKR-DOJUMQAQSA-N 0 0 375.476 3.713 10 0 GHAERN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000129741639 887346460 /nfs/dbraw/zinc/34/64/60/887346460.db2.gz HNDGDJMADNULCR-DAFODLJHSA-N 0 0 391.180 3.659 10 0 GHAERN Cc1nnc([C@H](NC(=O)CCc2cccc(OC(C)(C)C)n2)c2ccccc2)[nH]1 ZINC000130301474 887414749 /nfs/dbraw/zinc/41/47/49/887414749.db2.gz NPKGXRUTSZQGOT-HXUWFJFHSA-N 0 0 393.491 3.524 10 0 GHAERN O=C(c1ccc(SC(F)(F)F)cc1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130467800 887435897 /nfs/dbraw/zinc/43/58/97/887435897.db2.gz DWHFBOIDCWWODP-BBRMVZONSA-N 0 0 398.450 3.914 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131786085 887575271 /nfs/dbraw/zinc/57/52/71/887575271.db2.gz CGOVXZOYRFSKQS-RDTXWAMCSA-N 0 0 377.492 3.926 10 0 GHAERN CCCCCOc1ccc(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000134291584 887848145 /nfs/dbraw/zinc/84/81/45/887848145.db2.gz HYRDRETZSHZPHE-UYAOXDASSA-N 0 0 385.508 3.575 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000134366787 887864057 /nfs/dbraw/zinc/86/40/57/887864057.db2.gz KNEVJVVGKVFNIB-GHTZIAJQSA-N 0 0 391.471 3.798 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000134395250 887868191 /nfs/dbraw/zinc/86/81/91/887868191.db2.gz OHVRUEBBZSTKKI-IIBYNOLFSA-N 0 0 397.544 3.930 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N2CCn3cccc3[C@H]2c2ccccc2)n1 ZINC000105216079 887889919 /nfs/dbraw/zinc/88/99/19/887889919.db2.gz WWAOJWUGNNXMRT-HXUWFJFHSA-N 0 0 393.491 3.742 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(OC(F)F)c1 ZINC000134644134 887894502 /nfs/dbraw/zinc/89/45/02/887894502.db2.gz ORULPBUOLRSHKV-DYVFJYSZSA-N 0 0 377.391 3.607 10 0 GHAERN CCOc1ccc2cc(C(=O)NC3CCN(C(=O)C4CCCCC4)CC3)[nH]c2c1 ZINC000052992416 887907900 /nfs/dbraw/zinc/90/79/00/887907900.db2.gz MYEZIMNVPUFBKK-UHFFFAOYSA-N 0 0 397.519 3.868 10 0 GHAERN Cc1nc2cc(NC(=O)C(=O)N3CC=C(c4ccccc4F)CC3)ccc2o1 ZINC000135007403 887933772 /nfs/dbraw/zinc/93/37/72/887933772.db2.gz SXRCKFAVGYIKKX-UHFFFAOYSA-N 0 0 379.391 3.530 10 0 GHAERN O=C(Nc1ccc(Br)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000136898810 888320805 /nfs/dbraw/zinc/32/08/05/888320805.db2.gz NELAYIYUVCEYIZ-ZDUSSCGKSA-N 0 0 380.217 3.668 10 0 GHAERN C[C@@]1(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1(Cl)Cl ZINC000055646756 888326924 /nfs/dbraw/zinc/32/69/24/888326924.db2.gz QRXLMILRYTZWOV-INIZCTEOSA-N 0 0 389.710 3.598 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000056280098 888355020 /nfs/dbraw/zinc/35/50/20/888355020.db2.gz JAUJFURLAWTIDD-FGZHOGPDSA-N 0 0 392.499 3.575 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000056280099 888355653 /nfs/dbraw/zinc/35/56/53/888355653.db2.gz JAUJFURLAWTIDD-YADHBBJMSA-N 0 0 392.499 3.575 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000193643771 888513664 /nfs/dbraw/zinc/51/36/64/888513664.db2.gz ZSJXKEMXCUSIHW-CHWSQXEVSA-N 0 0 398.406 3.581 10 0 GHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000193643755 888514230 /nfs/dbraw/zinc/51/42/30/888514230.db2.gz ZSJXKEMXCUSIHW-STQMWFEESA-N 0 0 398.406 3.581 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1CCCc2cccnc21 ZINC000193990615 888545887 /nfs/dbraw/zinc/54/58/87/888545887.db2.gz QAXLPNLTHUAAGG-LJQANCHMSA-N 0 0 384.501 3.857 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000194038916 888549796 /nfs/dbraw/zinc/54/97/96/888549796.db2.gz VCYQWVNKDOOUSE-OAHLLOKOSA-N 0 0 391.393 3.741 10 0 GHAERN COC[C@H](NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648415 888602291 /nfs/dbraw/zinc/60/22/91/888602291.db2.gz FFOBUKHIYBZJEQ-ZWKOTPCHSA-N 0 0 399.882 3.543 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000194851802 888625826 /nfs/dbraw/zinc/62/58/26/888625826.db2.gz FDNGCYOWQSYZIM-QUCCMNQESA-N 0 0 383.492 3.783 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccccc1F ZINC000195479138 888668205 /nfs/dbraw/zinc/66/82/05/888668205.db2.gz RVOWCGQFGRHJPC-MRXNPFEDSA-N 0 0 395.482 3.735 10 0 GHAERN COc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000245525959 888845470 /nfs/dbraw/zinc/84/54/70/888845470.db2.gz BSICIRYEEKVTPW-NVXWUHKLSA-N 0 0 396.495 3.858 10 0 GHAERN C[C@H](NC(=O)[C@H]1COc2ccccc21)[C@H](OC1CCOCC1)c1ccccc1 ZINC000246093452 890352496 /nfs/dbraw/zinc/35/24/96/890352496.db2.gz JIIJTQAMCMWBGU-BUKVSMQUSA-N 0 0 381.472 3.604 10 0 GHAERN COc1ccc(-c2noc([C@H](C)N3CCC[C@@H](c4nncn4C4CC4)C3)n2)cc1 ZINC000246155320 890557992 /nfs/dbraw/zinc/55/79/92/890557992.db2.gz TYQBPBABPHONGR-GOEBONIOSA-N 0 0 394.479 3.612 10 0 GHAERN O=C(Nc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1)c1ccccc1 ZINC000246179668 890580618 /nfs/dbraw/zinc/58/06/18/890580618.db2.gz SHOMWCOSPBEHAE-VAMGGRTRSA-N 0 0 376.456 3.626 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(Cc3nc([C@H](C)OCC(C)C)no3)C2)c1 ZINC000246347077 891048555 /nfs/dbraw/zinc/04/85/55/891048555.db2.gz FRQPFMHMANOINA-JKSUJKDBSA-N 0 0 389.496 3.810 10 0 GHAERN COCCc1ccc(OCCCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067046349 891140820 /nfs/dbraw/zinc/14/08/20/891140820.db2.gz IMNJGKDPXLZRAM-SFHVURJKSA-N 0 0 388.533 3.897 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)CCO2)o1 ZINC000246442671 891241145 /nfs/dbraw/zinc/24/11/45/891241145.db2.gz ITHGUBZPACSPAI-GIVPXCGWSA-N 0 0 384.476 3.839 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1ccc(-n2cccn2)cc1 ZINC000246513586 891280548 /nfs/dbraw/zinc/28/05/48/891280548.db2.gz IFNJOKDHTFUPPN-PWIZWCRZSA-N 0 0 394.475 3.824 10 0 GHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246570385 891287203 /nfs/dbraw/zinc/28/72/03/891287203.db2.gz LHBVPINXSXUAQG-SKDZVZGDSA-N 0 0 391.874 3.789 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H](NC(C)=O)c3ccccc3)C2)cc1 ZINC000246736031 891302752 /nfs/dbraw/zinc/30/27/52/891302752.db2.gz XOHRVRKWHFWILR-BSLALVQMSA-N 0 0 380.488 3.667 10 0 GHAERN CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cs2)cc1 ZINC000247258967 891360101 /nfs/dbraw/zinc/36/01/01/891360101.db2.gz GJDHUNSDYIMSDC-OTWHNJEPSA-N 0 0 386.517 3.825 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000247386311 891373689 /nfs/dbraw/zinc/37/36/89/891373689.db2.gz LUBFFRQKPWLTGP-ARFHVFGLSA-N 0 0 393.553 3.933 10 0 GHAERN CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1Cl ZINC000247387992 891373974 /nfs/dbraw/zinc/37/39/74/891373974.db2.gz LLIXTLBZCWZZPI-CGTJXYLNSA-N 0 0 393.915 3.805 10 0 GHAERN COc1ccccc1-c1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000248265191 891419146 /nfs/dbraw/zinc/41/91/46/891419146.db2.gz YWQZJFHKLUMBNR-UHFFFAOYSA-N 0 0 378.432 3.593 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccccc3C[S@@](C)=O)C2)cc1 ZINC000248395212 891422432 /nfs/dbraw/zinc/42/24/32/891422432.db2.gz IZIFVQHUGDGCNU-IQHHKKDSSA-N 0 0 386.517 3.984 10 0 GHAERN C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1)c1nccs1 ZINC000248576654 891464077 /nfs/dbraw/zinc/46/40/77/891464077.db2.gz DRUDDBQXBJGJRO-OLMNPRSZSA-N 0 0 381.505 3.671 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248929738 891481798 /nfs/dbraw/zinc/48/17/98/891481798.db2.gz ZSIGCYOJOQHZLA-BIMULSAOSA-N 0 0 375.213 3.806 10 0 GHAERN C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1n1ccnc1 ZINC000253556571 891881848 /nfs/dbraw/zinc/88/18/48/891881848.db2.gz JRUIFBOSBCKSIN-DZGCQCFKSA-N 0 0 395.488 3.937 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@H]1C1CCCCC1 ZINC000079951992 892759262 /nfs/dbraw/zinc/75/92/62/892759262.db2.gz GRNIFSMABSQHHX-MSOLQXFVSA-N 0 0 376.522 3.659 10 0 GHAERN Cc1nnc([C@H]2CCCN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)[nH]1 ZINC000332961133 893341872 /nfs/dbraw/zinc/34/18/72/893341872.db2.gz LFYJPGZDAVYFQR-FUHWJXTLSA-N 0 0 395.507 3.839 10 0 GHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163070839 893809928 /nfs/dbraw/zinc/80/99/28/893809928.db2.gz RSSXWVUTYWMHKS-RHSMWYFYSA-N 0 0 385.899 3.912 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCSc3c(F)cccc31)C2 ZINC000112743798 898925606 /nfs/dbraw/zinc/92/56/06/898925606.db2.gz AVUPXRQIVSNBGN-HNNXBMFYSA-N 0 0 388.512 3.987 10 0 GHAERN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333871113 902385367 /nfs/dbraw/zinc/38/53/67/902385367.db2.gz BRUXXJRRCPRQPR-OBJOEFQTSA-N 0 0 385.938 3.645 10 0 GHAERN CCOCCOCCOC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103644249 904397714 /nfs/dbraw/zinc/39/77/14/904397714.db2.gz PLAGPSOSQQRCKG-JKSUJKDBSA-N 0 0 375.490 3.942 10 0 GHAERN CCc1nc(C2(NC(=O)CCc3ncc(-c4ccccc4F)o3)CCCC2)no1 ZINC000175129186 905456509 /nfs/dbraw/zinc/45/65/09/905456509.db2.gz NYXBPEAGVYISDL-UHFFFAOYSA-N 0 0 398.438 3.944 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)NC3(c4noc(C5CC5)n4)CCCC3)c2)no1 ZINC000176526478 905866262 /nfs/dbraw/zinc/86/62/62/905866262.db2.gz XERFGGVIMRWAMH-UHFFFAOYSA-N 0 0 394.435 3.896 10 0 GHAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000177312758 906098704 /nfs/dbraw/zinc/09/87/04/906098704.db2.gz IHCRHRIGFISLDQ-HUUCEWRRSA-N 0 0 380.279 3.967 10 0 GHAERN CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3c3nc[nH]n3)n2)cc1 ZINC000181179777 906933853 /nfs/dbraw/zinc/93/38/53/906933853.db2.gz BOQQEGXRKFPGBO-KRWDZBQOSA-N 0 0 394.479 3.665 10 0 GHAERN O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183071738 907321959 /nfs/dbraw/zinc/32/19/59/907321959.db2.gz WEXJGPMJGOPENQ-GOSISDBHSA-N 0 0 381.436 3.874 10 0 GHAERN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183360012 907375483 /nfs/dbraw/zinc/37/54/83/907375483.db2.gz MFGQPFUYFPDAAX-INIZCTEOSA-N 0 0 398.854 3.776 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cs1 ZINC000185997363 907864290 /nfs/dbraw/zinc/86/42/90/907864290.db2.gz CUWIRHKNXAFVSZ-UGSOOPFHSA-N 0 0 382.493 3.640 10 0 GHAERN COc1cc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)cc(OC)c1OC ZINC000187127732 908042772 /nfs/dbraw/zinc/04/27/72/908042772.db2.gz CHVKMHRRSMKPGS-INIZCTEOSA-N 0 0 390.505 3.774 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000190050826 908412985 /nfs/dbraw/zinc/41/29/85/908412985.db2.gz AGKXCEVJCSBCCP-OALUTQOASA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000190053477 908414712 /nfs/dbraw/zinc/41/47/12/908414712.db2.gz QELQBHOJYWXFBW-HUUCEWRRSA-N 0 0 375.494 3.630 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000190077823 908420954 /nfs/dbraw/zinc/42/09/54/908420954.db2.gz IXQWWDFADQAUAD-CTNGQTDRSA-N 0 0 391.471 3.889 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)C1 ZINC000190134679 908435426 /nfs/dbraw/zinc/43/54/26/908435426.db2.gz CZFISJOQQIDEJF-NVXWUHKLSA-N 0 0 397.435 3.644 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Br)c2)C1 ZINC000190143087 908438481 /nfs/dbraw/zinc/43/84/81/908438481.db2.gz NJAQPJKPSIXWMK-SMDDNHRTSA-N 0 0 386.677 3.756 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000191585479 908646539 /nfs/dbraw/zinc/64/65/39/908646539.db2.gz YIKZMDNQJYZEQF-PXAZEXFGSA-N 0 0 380.851 3.540 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CCO2)n1 ZINC000194021889 908909958 /nfs/dbraw/zinc/90/99/58/908909958.db2.gz CBBXZRRUZXASOH-AVGNSLFASA-N 0 0 377.432 3.656 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)[C@@H]1CCCc3c(O)cccc31)CCCC2 ZINC000284654000 911970094 /nfs/dbraw/zinc/97/00/94/911970094.db2.gz PQOIUZOGACWFIU-YLJYHZDGSA-N 0 0 379.504 3.788 10 0 GHAERN O=C(c1ccccc1I)N1CCC[C@@H]1c1nccs1 ZINC000372129442 925178856 /nfs/dbraw/zinc/17/88/56/925178856.db2.gz XBCBFJTTXWMTQJ-GFCCVEGCSA-N 0 0 384.242 3.725 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2c2ccncc2)c2ccc(F)cc2C1 ZINC000184025877 1014570340 /nfs/dbraw/zinc/57/03/40/1014570340.db2.gz RTFJCUXDPSZOGF-SFTDATJTSA-N 0 0 396.466 3.561 10 0 GHAERN Cc1ccc(S(=O)(=O)N(C)c2ncc(Cl)cc2Br)cc1 ZINC000090395560 206296831 /nfs/dbraw/zinc/29/68/31/206296831.db2.gz YTXVJVSXRXZQTR-UHFFFAOYSA-N 0 0 375.675 3.631 10 0 GHAERN COc1ccc(CN2C[C@@H](c3ccc(Br)cc3)OCC2=O)cc1 ZINC000090547641 206298568 /nfs/dbraw/zinc/29/85/68/206298568.db2.gz XINYSENTKJJPSM-KRWDZBQOSA-N 0 0 376.250 3.558 10 0 GHAERN CSc1nc(Cl)nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccccc1 ZINC000034097543 206305143 /nfs/dbraw/zinc/30/51/43/206305143.db2.gz VKPKSGXAVOTWGA-UHFFFAOYSA-N 0 0 391.905 3.833 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2C)c1 ZINC000001341872 206374394 /nfs/dbraw/zinc/37/43/94/206374394.db2.gz SZEOGUBNOIXRLP-IBGZPJMESA-N 0 0 380.448 3.588 10 0 GHAERN O=C(CC[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1)N1CCCC1 ZINC000011813697 206834048 /nfs/dbraw/zinc/83/40/48/206834048.db2.gz USOQMFNFQDZJHM-INIZCTEOSA-N 0 0 383.467 3.629 10 0 GHAERN COc1ccccc1-c1cc2c(c(OC)c1)OCCN(C(=O)c1ccncc1)C2 ZINC000012281400 206877983 /nfs/dbraw/zinc/87/79/83/206877983.db2.gz RIASBNQFEDVRGW-UHFFFAOYSA-N 0 0 390.439 3.801 10 0 GHAERN O=C(Cn1cc(NC(=O)c2ccsc2)cn1)NCc1cccc2ccccc21 ZINC000014995165 207038702 /nfs/dbraw/zinc/03/87/02/207038702.db2.gz YZEWHSLVPLBMKX-UHFFFAOYSA-N 0 0 390.468 3.667 10 0 GHAERN Cc1cnc(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)cn1 ZINC000014982527 207039027 /nfs/dbraw/zinc/03/90/27/207039027.db2.gz PODYFWUUIXKWGS-HNNXBMFYSA-N 0 0 385.876 3.900 10 0 GHAERN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(N3CCc4ccccc43)s2)C1 ZINC000015732294 207058575 /nfs/dbraw/zinc/05/85/75/207058575.db2.gz GAEJUCHNKITJIF-INIZCTEOSA-N 0 0 384.501 3.858 10 0 GHAERN CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2cccc(Br)c2)NN1C ZINC000017083848 207084515 /nfs/dbraw/zinc/08/45/15/207084515.db2.gz JMGYEOGJEPXDEX-SFHVURJKSA-N 0 0 387.281 3.615 10 0 GHAERN CC[C@H]1Cn2cc(C(=O)NCc3ccc(C)cc3)c(=O)c3c(C)ccc(c32)O1 ZINC000020926661 207221475 /nfs/dbraw/zinc/22/14/75/207221475.db2.gz CTMPPQIZXAHCTF-KRWDZBQOSA-N 0 0 376.456 3.719 10 0 GHAERN O=C(NCc1ccccc1)c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 ZINC000021867018 207239235 /nfs/dbraw/zinc/23/92/35/207239235.db2.gz PHTXDPNGEJVKBL-UHFFFAOYSA-N 0 0 395.422 3.580 10 0 GHAERN Cc1noc(C)c1COC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1 ZINC000029558604 207364428 /nfs/dbraw/zinc/36/44/28/207364428.db2.gz BAAGSTODMLUYNN-UHFFFAOYSA-N 0 0 391.489 3.738 10 0 GHAERN COc1ccc(C)cc1NC(=O)Cn1cc(-c2nnc(C)o2)c2ccccc21 ZINC000035423173 207489915 /nfs/dbraw/zinc/48/99/15/207489915.db2.gz JYJLXYUIXVVPCK-UHFFFAOYSA-N 0 0 376.416 3.955 10 0 GHAERN CCOc1ccc(-c2nn(Cc3ccccc3)c3c2CN(C(C)=O)CC3)cc1 ZINC000080825509 208076837 /nfs/dbraw/zinc/07/68/37/208076837.db2.gz LVCWAPJQOBEABT-UHFFFAOYSA-N 0 0 375.472 3.902 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccc(F)cc2)C2CC2)C1 ZINC000095084687 208152467 /nfs/dbraw/zinc/15/24/67/208152467.db2.gz PWSMMFXKVNQXJJ-INIZCTEOSA-N 0 0 376.472 3.964 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]([S@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084892 208152537 /nfs/dbraw/zinc/15/25/37/208152537.db2.gz GBTCCZTXRGQMFI-GWQKEKGPSA-N 0 0 395.912 3.790 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095091756 208155537 /nfs/dbraw/zinc/15/55/37/208155537.db2.gz CQNOTAFGDZIXMX-OAHLLOKOSA-N 0 0 386.496 3.864 10 0 GHAERN Cc1ccc2[nH]c(-c3nc(CCN(C)C(=O)c4ccc(Cl)nc4)no3)cc2c1 ZINC000096373294 208309625 /nfs/dbraw/zinc/30/96/25/208309625.db2.gz VHGNQVVGJPYIRU-UHFFFAOYSA-N 0 0 395.850 3.889 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096482541 208318680 /nfs/dbraw/zinc/31/86/80/208318680.db2.gz HZCWALJOVVPETG-PKTZIBPZSA-N 0 0 387.479 3.587 10 0 GHAERN NC(=O)c1cc2c(cncc2Nc2ccc(-c3ccc(C(N)=O)cc3)cc2)s1 ZINC000211868835 208815352 /nfs/dbraw/zinc/81/53/52/208815352.db2.gz GSMAKKGOSWGHPG-UHFFFAOYSA-N 0 0 388.452 3.905 10 0 GHAERN CC(C)(C)OC(=O)Nc1cc(Br)nc(Br)c1C=O ZINC000299889871 209092106 /nfs/dbraw/zinc/09/21/06/209092106.db2.gz QAXFKWUCGUCFLD-UHFFFAOYSA-N 0 0 380.036 3.766 10 0 GHAERN O=C(NCCc1csc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1)C1CCC1 ZINC000065173584 222106379 /nfs/dbraw/zinc/10/63/79/222106379.db2.gz HXZVXMRTZMCBPI-SFHVURJKSA-N 0 0 397.544 3.622 10 0 GHAERN O=c1cc(CN2CCN(c3ccccc3)CC2)nc(-c2cccc(Cl)c2)[nH]1 ZINC000085344933 526333137 /nfs/dbraw/zinc/33/31/37/526333137.db2.gz YKGUFLMBBPDFII-UHFFFAOYSA-N 0 0 380.879 3.825 10 0 GHAERN CC(=O)N1C[C@H](C(=O)N(C)Cc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715468 570319120 /nfs/dbraw/zinc/31/91/20/570319120.db2.gz LIUVHOZEFHZYFR-NHCUHLMSSA-N 0 0 382.479 3.745 10 0 GHAERN O=C(Cc1c(F)cccc1Cl)N1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)c1cccs1 ZINC000097112605 570664589 /nfs/dbraw/zinc/66/45/89/570664589.db2.gz ZFZDAQFCIHQYOO-MKBNYLNASA-N 0 0 392.883 3.503 10 0 GHAERN Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCCC2)o1 ZINC000065203016 570729008 /nfs/dbraw/zinc/72/90/08/570729008.db2.gz ZRPSUEVORCJHLT-LJQANCHMSA-N 0 0 376.460 3.692 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1ccccc1C(F)(F)F)C2)c1ccccc1 ZINC000065266535 570769534 /nfs/dbraw/zinc/76/95/34/570769534.db2.gz DOHPYFFEIVWNAD-JEBQAFNWSA-N 0 0 388.389 3.738 10 0 GHAERN CC(C)c1noc(CCNC(=O)[C@@H]2C[C@]23CCOc2ccc(C(C)C)cc23)n1 ZINC000583619749 570800547 /nfs/dbraw/zinc/80/05/47/570800547.db2.gz CLOXUBFIFJGABP-JTSKRJEESA-N 0 0 383.492 3.716 10 0 GHAERN Cc1ccc(Cn2c(CCCC(=O)NCc3cccnc3)nc3cccnc32)cc1 ZINC000033072599 570804226 /nfs/dbraw/zinc/80/42/26/570804226.db2.gz HKZSXYGNVCZZTA-UHFFFAOYSA-N 0 0 399.498 3.822 10 0 GHAERN O=C(Nc1cncc(-c2cc3cnn([C@@H]4CCCCO4)c3cn2)c1)C1CCC1 ZINC000498050788 570909178 /nfs/dbraw/zinc/90/91/78/570909178.db2.gz RAQAURGQAGOOBR-FQEVSTJZSA-N 0 0 377.448 3.931 10 0 GHAERN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365932354 570945786 /nfs/dbraw/zinc/94/57/86/570945786.db2.gz SQJMGPYBDMBTER-CQSZACIVSA-N 0 0 393.491 3.533 10 0 GHAERN COc1cccc(OCc2cc(C(=O)NCc3ccc(C)c(F)c3F)no2)c1 ZINC000012714534 570967375 /nfs/dbraw/zinc/96/73/75/570967375.db2.gz MEUGHOGHPKPCHW-UHFFFAOYSA-N 0 0 388.370 3.779 10 0 GHAERN O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104288913 837395173 /nfs/dbraw/zinc/39/51/73/837395173.db2.gz KHLXIDYRYIXMDG-LJQANCHMSA-N 0 0 393.422 3.646 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000332795754 837444416 /nfs/dbraw/zinc/44/44/16/837444416.db2.gz HYELIKJADANPKH-CTNGQTDRSA-N 0 0 396.535 3.834 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176078037 837489768 /nfs/dbraw/zinc/48/97/68/837489768.db2.gz GNMKYTOVSSEMNC-FOIQADDNSA-N 0 0 394.512 3.822 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)CCO2)o1 ZINC000156647736 834485664 /nfs/dbraw/zinc/48/56/64/834485664.db2.gz ZNWVQMKTDAYMGF-LJQANCHMSA-N 0 0 391.414 3.515 10 0 GHAERN C[C@@H]1CCCC[C@@H]1c1noc(CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)n1 ZINC000329372376 834930442 /nfs/dbraw/zinc/93/04/42/834930442.db2.gz BBYAKKXFHIFFFM-GTQRCTGISA-N 0 0 394.475 3.862 10 0 GHAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](O)c2ccccc21 ZINC000168559916 835432045 /nfs/dbraw/zinc/43/20/45/835432045.db2.gz VYAQGZQWHIILGG-GFCCVEGCSA-N 0 0 388.308 3.533 10 0 GHAERN O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000112296048 835533353 /nfs/dbraw/zinc/53/33/53/835533353.db2.gz RRHYBYJBZFPDHU-LBPRGKRZSA-N 0 0 385.518 3.818 10 0 GHAERN O=C(Nc1ccccc1OCCn1ccnc1)N1CCC[C@H](c2nccs2)C1 ZINC000159213325 835763980 /nfs/dbraw/zinc/76/39/80/835763980.db2.gz FKZXARBVZMLVEP-INIZCTEOSA-N 0 0 397.504 3.830 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(Br)cc(C)c3o2)C[C@H]1C ZINC000188048950 835817381 /nfs/dbraw/zinc/81/73/81/835817381.db2.gz SKDOFQRJXDEMQX-RISCZKNCSA-N 0 0 394.265 3.775 10 0 GHAERN CCOC(=O)c1csc(C2CCN(C(=O)/C=C\c3scnc3C)CC2)n1 ZINC000588590806 835821066 /nfs/dbraw/zinc/82/10/66/835821066.db2.gz FOVAQHHQZAZEHD-PLNGDYQASA-N 0 0 391.518 3.504 10 0 GHAERN Clc1ccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)n[nH]2)cc1 ZINC000329748252 835860543 /nfs/dbraw/zinc/86/05/43/835860543.db2.gz ZWBBPDFUJPVLNL-PBHICJAKSA-N 0 0 385.855 3.706 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cnc1N1CCCC[C@H]1C ZINC000296842256 835943208 /nfs/dbraw/zinc/94/32/08/835943208.db2.gz NYFYANMFPOCDBG-WBVHZDCISA-N 0 0 383.500 3.646 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(Br)c1 ZINC000246151500 835970791 /nfs/dbraw/zinc/97/07/91/835970791.db2.gz QHKORWFVKRIQFX-SRMUXQRQSA-N 0 0 379.298 3.767 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)C3CCCCC3)C2)sc1C ZINC000332886611 836887823 /nfs/dbraw/zinc/88/78/23/836887823.db2.gz GMXIMGXEXDIIKJ-PBHICJAKSA-N 0 0 377.554 3.551 10 0 GHAERN O=C(CC1CCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1)N1CCCC1 ZINC000407997261 838494872 /nfs/dbraw/zinc/49/48/72/838494872.db2.gz GDSNCHRMZXNIDZ-UHFFFAOYSA-N 0 0 389.462 3.542 10 0 GHAERN Cc1noc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)c(C)c(Cl)c3)C2)n1 ZINC000179285356 838537853 /nfs/dbraw/zinc/53/78/53/838537853.db2.gz WURZQIXUDCMOGL-LLVKDONJSA-N 0 0 390.292 3.562 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333230379 844352135 /nfs/dbraw/zinc/35/21/35/844352135.db2.gz YAHHHTMEELWZNF-LYDQXWKUSA-N 0 0 386.471 3.645 10 0 GHAERN CC1CCN(C(=O)c2ccc(N3CCC[C@@H]3[C@H]3CCCC[C@@]3(C)O)nc2)CC1 ZINC000408033698 838978639 /nfs/dbraw/zinc/97/86/39/838978639.db2.gz APTVDDRQVLNWQW-TXTKFYIRSA-N 0 0 385.552 3.864 10 0 GHAERN Cc1ccc(CN2C[C@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)cc1 ZINC000115365799 839124392 /nfs/dbraw/zinc/12/43/92/839124392.db2.gz GPDULQGZIRQGPU-QZTJIDSGSA-N 0 0 383.517 3.554 10 0 GHAERN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000115367185 839124969 /nfs/dbraw/zinc/12/49/69/839124969.db2.gz XWGBLKLNPDVZPI-HOTGVXAUSA-N 0 0 389.908 3.903 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@H]3CCc4c3ccc(Cl)c4Cl)C2)cn1 ZINC000116432616 839252477 /nfs/dbraw/zinc/25/24/77/839252477.db2.gz XNIMZJLMZHUJTK-ZBEGNZNMSA-N 0 0 379.291 3.913 10 0 GHAERN O=C(CC/C=C\c1ccccc1)OCCn1cc(Br)ccc1=O ZINC000588386121 840002366 /nfs/dbraw/zinc/00/23/66/840002366.db2.gz GXWOZMPHYFQVPE-YWEYNIOJSA-N 0 0 376.250 3.648 10 0 GHAERN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@H]43)c2)c1 ZINC000330227281 840242569 /nfs/dbraw/zinc/24/25/69/840242569.db2.gz BXIFUBBWGCLJIK-OXQOHEQNSA-N 0 0 384.501 3.810 10 0 GHAERN CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c1 ZINC000108850263 840251689 /nfs/dbraw/zinc/25/16/89/840251689.db2.gz HSUSNYZICUSOOR-UHFFFAOYSA-N 0 0 395.484 3.542 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)cc1 ZINC000110516080 840596175 /nfs/dbraw/zinc/59/61/75/840596175.db2.gz HMPIKLUYZXYEFV-FOIQADDNSA-N 0 0 398.890 3.744 10 0 GHAERN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000109052985 840666332 /nfs/dbraw/zinc/66/63/32/840666332.db2.gz XQYLMLYQNCBOTA-MRXNPFEDSA-N 0 0 396.516 3.907 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000332775218 844563112 /nfs/dbraw/zinc/56/31/12/844563112.db2.gz YBTSOXRBEMOHRT-PEYYIBSZSA-N 0 0 375.469 3.803 10 0 GHAERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000408110556 840872522 /nfs/dbraw/zinc/87/25/22/840872522.db2.gz RQZXAEZIWLVQFY-MONBJTKQSA-N 0 0 378.520 3.937 10 0 GHAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408129201 841072465 /nfs/dbraw/zinc/07/24/65/841072465.db2.gz XUWDVDZXZHONJF-ZACQAIPSSA-N 0 0 399.304 3.813 10 0 GHAERN O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408150021 841185315 /nfs/dbraw/zinc/18/53/15/841185315.db2.gz TXKYXPKOQYEQOL-ZACQAIPSSA-N 0 0 381.314 3.674 10 0 GHAERN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000332873742 844617670 /nfs/dbraw/zinc/61/76/70/844617670.db2.gz JFVUFPHOMWCSDO-BPKGMFCQSA-N 0 0 392.462 3.581 10 0 GHAERN C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152301028 841230737 /nfs/dbraw/zinc/23/07/37/841230737.db2.gz KGJRCWGUYHRJCJ-CXUGXGMPSA-N 0 0 382.501 3.653 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000332893568 844627825 /nfs/dbraw/zinc/62/78/25/844627825.db2.gz IHVYWDMRUMVVLD-WOJBJXKFSA-N 0 0 379.508 3.609 10 0 GHAERN CCOc1cc(/C=C\C(=O)NC2CCN(c3ccccc3OC)CC2)ccc1O ZINC000588412451 841411268 /nfs/dbraw/zinc/41/12/68/841411268.db2.gz GSFOOVZHPDLFHQ-LUAWRHEFSA-N 0 0 396.487 3.598 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)CC2 ZINC000247430334 842301117 /nfs/dbraw/zinc/30/11/17/842301117.db2.gz WERIZTUSBSRTQX-SNPRPXQTSA-N 0 0 393.318 3.943 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000328841143 842482004 /nfs/dbraw/zinc/48/20/04/842482004.db2.gz PHMCEXJUFTVWRC-RHSMWYFYSA-N 0 0 387.480 3.697 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1F ZINC000588436755 842589082 /nfs/dbraw/zinc/58/90/82/842589082.db2.gz GJALBKIFEWYMJS-YWALDVPYSA-N 0 0 379.497 3.751 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)c3cnc4onc(C(C)C)c4c3)C2)no1 ZINC000328894430 842835672 /nfs/dbraw/zinc/83/56/72/842835672.db2.gz VRJXSXICTXPRBL-CYBMUJFWSA-N 0 0 383.452 3.872 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000184585364 842853653 /nfs/dbraw/zinc/85/36/53/842853653.db2.gz KPYGDSCMUAFHHH-ACJLOTCBSA-N 0 0 397.313 3.925 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000162826200 842871792 /nfs/dbraw/zinc/87/17/92/842871792.db2.gz RAVIHGPVYRMBHA-JXFKEZNVSA-N 0 0 377.488 3.689 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000247606173 842963922 /nfs/dbraw/zinc/96/39/22/842963922.db2.gz LSBLKPGNDVRBAI-PBHICJAKSA-N 0 0 391.313 3.618 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491216 843264737 /nfs/dbraw/zinc/26/47/37/843264737.db2.gz VYIUWAHYXGEYGM-JLTOFOAXSA-N 0 0 390.491 3.837 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000112307536 843352352 /nfs/dbraw/zinc/35/23/52/843352352.db2.gz VDCHMOSVZMSXKQ-UHFFFAOYSA-N 0 0 382.407 3.755 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000588455673 843357340 /nfs/dbraw/zinc/35/73/40/843357340.db2.gz KQIAKDOBONZMOT-QXMHVHEDSA-N 0 0 375.472 3.945 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000121466770 843374230 /nfs/dbraw/zinc/37/42/30/843374230.db2.gz OCQDZFZUDGJGSP-SJCJKPOMSA-N 0 0 383.286 3.617 10 0 GHAERN O=C(NCC1(c2ccccc2)CCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000153160580 843549000 /nfs/dbraw/zinc/54/90/00/843549000.db2.gz KZVNRXZJTUUCHN-UHFFFAOYSA-N 0 0 379.508 3.575 10 0 GHAERN O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000408254701 843617551 /nfs/dbraw/zinc/61/75/51/843617551.db2.gz OEYOBOBKXCURSY-LRYGQEGESA-N 0 0 389.927 3.630 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000332907628 844643532 /nfs/dbraw/zinc/64/35/32/844643532.db2.gz YMOHNAUFLRVNFJ-VQTJNVASSA-N 0 0 379.508 3.609 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(Br)s1 ZINC000408466873 844725111 /nfs/dbraw/zinc/72/51/11/844725111.db2.gz MRKOKPSAFQSBSA-SNVBAGLBSA-N 0 0 399.314 3.740 10 0 GHAERN O=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332960444 844878173 /nfs/dbraw/zinc/87/81/73/844878173.db2.gz JYOGTCBIDUYNSG-XIKOKIGWSA-N 0 0 379.913 3.786 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c(Br)s1 ZINC000408471575 844917139 /nfs/dbraw/zinc/91/71/39/844917139.db2.gz YYURPLNVUSYZRU-LLVKDONJSA-N 0 0 383.315 3.542 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1cc3c(s1)-c1ccccc1CC3)C2 ZINC000329489319 861522684 /nfs/dbraw/zinc/52/26/84/861522684.db2.gz SDQRIOHLIAQJFC-UHFFFAOYSA-N 0 0 378.501 3.885 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1)c1cccs1 ZINC000333011746 845521462 /nfs/dbraw/zinc/52/14/62/845521462.db2.gz RWSOTTJFSHSROO-CVEARBPZSA-N 0 0 386.521 3.667 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccn(-c2cc(C)ccc2OC)n1 ZINC000104460652 845844419 /nfs/dbraw/zinc/84/44/19/845844419.db2.gz QHXKLUHTUWKROM-UHFFFAOYSA-N 0 0 379.460 3.513 10 0 GHAERN CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277476690 846331602 /nfs/dbraw/zinc/33/16/02/846331602.db2.gz JKTNZEJWNFAWPA-ROUUACIJSA-N 0 0 393.915 3.611 10 0 GHAERN Cc1cc(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c(C)c(C)c1O ZINC000588510697 846793035 /nfs/dbraw/zinc/79/30/35/846793035.db2.gz MVAVREBTTDPBBG-SREVYHEPSA-N 0 0 380.448 3.588 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045440046 847098439 /nfs/dbraw/zinc/09/84/39/847098439.db2.gz PTCIEOXXUUDDGU-DLBZAZTESA-N 0 0 397.441 3.584 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000119851382 847371747 /nfs/dbraw/zinc/37/17/47/847371747.db2.gz HIPQHDDAULFPSF-UHFFFAOYSA-N 0 0 385.464 3.890 10 0 GHAERN CC(F)(F)c1cccc(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c1 ZINC000588537658 848011070 /nfs/dbraw/zinc/01/10/70/848011070.db2.gz DKTUWCBVHFALRM-QBFSEMIESA-N 0 0 394.443 3.717 10 0 GHAERN COc1cnccc1[C@@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588544731 848170196 /nfs/dbraw/zinc/17/01/96/848170196.db2.gz UCMHJVNFSGIPKL-VPUINMBXSA-N 0 0 397.294 3.504 10 0 GHAERN C[C@]1(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1(Cl)Cl ZINC000153428075 848485935 /nfs/dbraw/zinc/48/59/35/848485935.db2.gz IJFKXKVNCDXDLE-IUODEOHRSA-N 0 0 380.218 3.772 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000153511264 848590786 /nfs/dbraw/zinc/59/07/86/848590786.db2.gz WIMFYZKNMYGEAQ-UHFFFAOYSA-N 0 0 396.463 3.602 10 0 GHAERN COC(=O)/C(=C/c1ccc(-c2nc3ccccc3s2)o1)CN1CCC(=O)CC1 ZINC000588566328 848902797 /nfs/dbraw/zinc/90/27/97/848902797.db2.gz YPRIMNXEYJYREU-WYMLVPIESA-N 0 0 396.468 3.778 10 0 GHAERN C[C@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)c1cccc(N2CCCC2)c1 ZINC000153768791 848997050 /nfs/dbraw/zinc/99/70/50/848997050.db2.gz YIZLICUMAUPYLV-JXFKEZNVSA-N 0 0 392.503 3.773 10 0 GHAERN COc1ccc(Br)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153836316 849053995 /nfs/dbraw/zinc/05/39/95/849053995.db2.gz HKDROUVYONPABO-INIZCTEOSA-N 0 0 395.253 3.965 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1-n1cccn1 ZINC000154504846 849305875 /nfs/dbraw/zinc/30/58/75/849305875.db2.gz DBMGSTYCERNOLN-HOTGVXAUSA-N 0 0 381.505 3.979 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000155004469 849431075 /nfs/dbraw/zinc/43/10/75/849431075.db2.gz AGMNCEOVASWNDA-QZMUEMGWSA-N 0 0 389.503 3.772 10 0 GHAERN Cc1nc([C@@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2F)no1 ZINC000155242948 849484968 /nfs/dbraw/zinc/48/49/68/849484968.db2.gz QVNGCBGOFFCNFX-HNNXBMFYSA-N 0 0 395.221 3.926 10 0 GHAERN Cc1cc(C)c(N2CC[C@@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2=O)c(C)c1 ZINC000588574477 849558838 /nfs/dbraw/zinc/55/88/38/849558838.db2.gz PZGOVVKQKCDUSX-VGOKWCNXSA-N 0 0 383.879 3.595 10 0 GHAERN COc1ccc(CCNC(=O)N(C)CCc2ccc(F)cc2)cc1OC(F)F ZINC000101616361 851755955 /nfs/dbraw/zinc/75/59/55/851755955.db2.gz WUNUKQYTFQGXBO-UHFFFAOYSA-N 0 0 396.409 3.862 10 0 GHAERN CC(=O)Nc1cccc(CS(=O)(=O)Cc2csc(Br)c2)c1 ZINC000101724522 851851103 /nfs/dbraw/zinc/85/11/03/851851103.db2.gz DEMTZRBJYBDGKY-UHFFFAOYSA-N 0 0 388.308 3.584 10 0 GHAERN COc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101735960 851858269 /nfs/dbraw/zinc/85/82/69/851858269.db2.gz OXEGHNCIZSIHGF-ZDUSSCGKSA-N 0 0 381.904 3.753 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C ZINC000101741579 851863960 /nfs/dbraw/zinc/86/39/60/851863960.db2.gz XOZOMBGZQIKZQH-UHFFFAOYSA-N 0 0 381.476 3.868 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101746247 851865636 /nfs/dbraw/zinc/86/56/36/851865636.db2.gz GVSLERHFHKNTMW-UHFFFAOYSA-N 0 0 389.883 3.989 10 0 GHAERN Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000156988446 852512466 /nfs/dbraw/zinc/51/24/66/852512466.db2.gz ZWCWZFYCZSSLKD-YLSHDAJPSA-N 0 0 382.504 3.847 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)C2)no1 ZINC000171357392 852567216 /nfs/dbraw/zinc/56/72/16/852567216.db2.gz CQLQMSANHXDUTH-CQSZACIVSA-N 0 0 397.306 3.892 10 0 GHAERN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247970837 852869291 /nfs/dbraw/zinc/86/92/91/852869291.db2.gz JGSCCDOKOGBHDZ-XHDPSFHLSA-N 0 0 397.846 3.675 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)sc2C1 ZINC000333933201 853248310 /nfs/dbraw/zinc/24/83/10/853248310.db2.gz HMDQRVCQMNTQHF-GBJTYRQASA-N 0 0 377.554 3.919 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](c4nccs4)C3)c12 ZINC000171854080 854055222 /nfs/dbraw/zinc/05/52/22/854055222.db2.gz RSFSPMSHYICRJY-INIZCTEOSA-N 0 0 398.488 3.723 10 0 GHAERN Cc1ccc(-c2nc(CCNC(=O)c3coc(Br)c3)co2)cc1 ZINC000102358990 854328307 /nfs/dbraw/zinc/32/83/07/854328307.db2.gz OBKPIADGEVZFMI-UHFFFAOYSA-N 0 0 375.222 3.978 10 0 GHAERN C[C@H]1CC(=O)CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330080349 862560553 /nfs/dbraw/zinc/56/05/53/862560553.db2.gz PASVOUKGJDRGFX-DKIPSLAOSA-N 0 0 393.487 3.622 10 0 GHAERN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CCC[C@H](n3cccn3)C2)cc1 ZINC000328676712 854505519 /nfs/dbraw/zinc/50/55/19/854505519.db2.gz AFPCFVWPQZVBTQ-PXNSSMCTSA-N 0 0 395.507 3.767 10 0 GHAERN CC1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)CC1 ZINC000328752537 854528510 /nfs/dbraw/zinc/52/85/10/854528510.db2.gz NIWYJQOQZJCJCU-BZSNNMDCSA-N 0 0 376.545 3.612 10 0 GHAERN Cc1nc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1Br ZINC000128781955 855131510 /nfs/dbraw/zinc/13/15/10/855131510.db2.gz RFFYJUSSTVYEHK-KGLIPLIRSA-N 0 0 378.274 3.654 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@H](C)[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711259 855135916 /nfs/dbraw/zinc/13/59/16/855135916.db2.gz DMRQIYLGASRTFX-KPHLJTLVSA-N 0 0 393.852 3.567 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000180951269 855513326 /nfs/dbraw/zinc/51/33/26/855513326.db2.gz RRVPGBNCSBTOMQ-IAOVAPTHSA-N 0 0 393.459 3.841 10 0 GHAERN CN1CC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000183399107 855792805 /nfs/dbraw/zinc/79/28/05/855792805.db2.gz SCYVVAMSPQWOCZ-OTWHNJEPSA-N 0 0 387.915 3.745 10 0 GHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000192478022 855815763 /nfs/dbraw/zinc/81/57/63/855815763.db2.gz XJYRAWUGCQNTLX-LLVKDONJSA-N 0 0 377.286 3.896 10 0 GHAERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000194512901 856019131 /nfs/dbraw/zinc/01/91/31/856019131.db2.gz AAPICOFYXQQDFY-CQSZACIVSA-N 0 0 378.542 3.715 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000330293306 862748408 /nfs/dbraw/zinc/74/84/08/862748408.db2.gz HQXGOCSASIIXDZ-FHWLQOOXSA-N 0 0 399.491 3.569 10 0 GHAERN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000029247737 856030967 /nfs/dbraw/zinc/03/09/67/856030967.db2.gz OMLYKGKMFDGSDI-LJQANCHMSA-N 0 0 377.492 3.782 10 0 GHAERN CC(C)CC(=O)N1CCC(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000184958605 856173565 /nfs/dbraw/zinc/17/35/65/856173565.db2.gz HBOGCFQBLLWOKZ-UHFFFAOYSA-N 0 0 396.318 3.988 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156692169 857808813 /nfs/dbraw/zinc/80/88/13/857808813.db2.gz JHGWRVBOEYHFKE-HOCLYGCPSA-N 0 0 385.512 3.631 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)CC2 ZINC000133528433 858813102 /nfs/dbraw/zinc/81/31/02/858813102.db2.gz WERIZTUSBSRTQX-BPLDGKMQSA-N 0 0 393.318 3.943 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)CC2 ZINC000133744132 858817636 /nfs/dbraw/zinc/81/76/36/858817636.db2.gz LMCYRSOTGINDQT-OAGGEKHMSA-N 0 0 392.425 3.655 10 0 GHAERN Cc1ccc(NC(=O)C(=O)N2CC=C(c3cccs3)CC2)cc1-c1ncco1 ZINC000160471999 858941702 /nfs/dbraw/zinc/94/17/02/858941702.db2.gz OIOOHDZVQBYJCZ-UHFFFAOYSA-N 0 0 393.468 3.966 10 0 GHAERN C[C@@H](O)CNc1nc2ccccc2n1Cc1ccc(F)cc1Br ZINC000105510066 859822662 /nfs/dbraw/zinc/82/26/62/859822662.db2.gz QXJHRJLEPLXICA-LLVKDONJSA-N 0 0 378.245 3.779 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000015627163 860138141 /nfs/dbraw/zinc/13/81/41/860138141.db2.gz SJYZLIIRXQHWJS-IEBWSBKVSA-N 0 0 382.485 3.862 10 0 GHAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024383564 860322513 /nfs/dbraw/zinc/32/25/13/860322513.db2.gz YSDXJOHXQJMGLH-MRXNPFEDSA-N 0 0 390.468 3.900 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)CCS3)C12CCCC2 ZINC000172637635 860435170 /nfs/dbraw/zinc/43/51/70/860435170.db2.gz LITSESBEKRCNMX-ZWKOTPCHSA-N 0 0 388.533 3.931 10 0 GHAERN O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000173899149 860444250 /nfs/dbraw/zinc/44/42/50/860444250.db2.gz GJCXIPPPWSDKGU-FQEVSTJZSA-N 0 0 387.524 3.584 10 0 GHAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027243077 860614159 /nfs/dbraw/zinc/61/41/59/860614159.db2.gz FTTUQYIRYIRJFG-GZKZCVOOSA-N 0 0 386.455 3.520 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000102897816 860618150 /nfs/dbraw/zinc/61/81/50/860618150.db2.gz BSJLICWQYJKFCY-OAHLLOKOSA-N 0 0 391.265 3.887 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)C2)n1 ZINC000173065943 860618335 /nfs/dbraw/zinc/61/83/35/860618335.db2.gz QOJGAMIAMSRDIA-TZMCWYRMSA-N 0 0 387.530 3.904 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccccc3-n3cccn3)C2)c1 ZINC000102529927 860749408 /nfs/dbraw/zinc/74/94/08/860749408.db2.gz CNJLEWYSKOFGHB-QGZVFWFLSA-N 0 0 391.475 3.529 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000329113234 861031748 /nfs/dbraw/zinc/03/17/48/861031748.db2.gz HJAUHZHQECQXPM-SQGPQFPESA-N 0 0 396.491 3.987 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC1(c3ccc(F)cc3)CCCC1)CC2 ZINC000158967102 861034142 /nfs/dbraw/zinc/03/41/42/861034142.db2.gz FPMNREBSEMZERM-KRWDZBQOSA-N 0 0 385.487 3.624 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@@H](C)[C@H](C)C3CCCCC3)CC2)n1 ZINC000248345182 863321391 /nfs/dbraw/zinc/32/13/91/863321391.db2.gz MMKNLJJYMXAVMR-GJZGRUSLSA-N 0 0 379.574 3.673 10 0 GHAERN COC(=O)CSCc1cccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000103205094 863910363 /nfs/dbraw/zinc/91/03/63/863910363.db2.gz AFLOOTSXOVRKGK-UHFFFAOYSA-N 0 0 399.447 3.874 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccccc3N3CCCC3=O)c21 ZINC000103233859 863917625 /nfs/dbraw/zinc/91/76/25/863917625.db2.gz FRYOPIRSJWUBRO-UHFFFAOYSA-N 0 0 376.460 3.967 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@H](C)NC(=O)c3ccc(Cl)cc3)c21 ZINC000103130162 863927190 /nfs/dbraw/zinc/92/71/90/863927190.db2.gz QHKIIIZULMANDH-AWEZNQCLSA-N 0 0 383.879 3.607 10 0 GHAERN CSc1nc(C)c(CCC(=O)NCCc2c[nH]c3cccc(C)c23)c(C)n1 ZINC000103129525 863927531 /nfs/dbraw/zinc/92/75/31/863927531.db2.gz LDGKRDUTPVWSDU-UHFFFAOYSA-N 0 0 382.533 3.897 10 0 GHAERN C[C@H](NC(=O)N1CCC(N2CCCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000177769256 863969493 /nfs/dbraw/zinc/96/94/93/863969493.db2.gz AFXYOZNCWIEATK-LXGFQCHUSA-N 0 0 387.568 3.778 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000103619129 864033349 /nfs/dbraw/zinc/03/33/49/864033349.db2.gz GEBRARSQEXOHNR-NRFANRHFSA-N 0 0 383.467 3.743 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(-n2cnnn2)cc1Cl ZINC000103735070 864075874 /nfs/dbraw/zinc/07/58/74/864075874.db2.gz WQUINZOXFOTBRS-UHFFFAOYSA-N 0 0 397.822 3.610 10 0 GHAERN CCN(C(=O)c1ccc(-n2cnnn2)cc1Cl)[C@@H](C)c1cccc(OC)c1 ZINC000103750969 864082007 /nfs/dbraw/zinc/08/20/07/864082007.db2.gz KBXCSLGCEWLCPP-ZDUSSCGKSA-N 0 0 385.855 3.548 10 0 GHAERN CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103785462 864092432 /nfs/dbraw/zinc/09/24/32/864092432.db2.gz YPKQQQTUKMTFPP-KRWDZBQOSA-N 0 0 385.855 3.596 10 0 GHAERN CCC(=O)Nc1cccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000104121352 864155786 /nfs/dbraw/zinc/15/57/86/864155786.db2.gz MWEZIIAHVMBKAX-INIZCTEOSA-N 0 0 383.467 3.693 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1nnn(-c2ccccc2Cl)c1C ZINC000104461566 864327061 /nfs/dbraw/zinc/32/70/61/864327061.db2.gz NGHAUDXQVVHIQA-UHFFFAOYSA-N 0 0 384.867 3.552 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCNC(=O)c1ccc2ccccc2c1 ZINC000104907130 864698076 /nfs/dbraw/zinc/69/80/76/864698076.db2.gz KMBOTUMUJHOXTK-UHFFFAOYSA-N 0 0 390.483 3.669 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000155173578 865412513 /nfs/dbraw/zinc/41/25/13/865412513.db2.gz RGAVLDRUXHHROT-KSSFIOAISA-N 0 0 385.430 3.930 10 0 GHAERN COCc1nc2n(n1)CCC[C@H]2Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000301653092 865477994 /nfs/dbraw/zinc/47/79/94/865477994.db2.gz KMXWCEZLYGVRRB-GOSISDBHSA-N 0 0 386.459 3.982 10 0 GHAERN CC(C)C[C@@H]1CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000155247596 865499363 /nfs/dbraw/zinc/49/93/63/865499363.db2.gz GEZYBXKLVMZLFR-VIQWUECVSA-N 0 0 395.613 3.588 10 0 GHAERN CCc1cc(N2CCC(c3noc(C4CC4)n3)CC2)nc(-c2ccccn2)n1 ZINC000302151446 865735911 /nfs/dbraw/zinc/73/59/11/865735911.db2.gz BTEGKSONXMCTPJ-UHFFFAOYSA-N 0 0 376.464 3.745 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000109668710 866601164 /nfs/dbraw/zinc/60/11/64/866601164.db2.gz BVMLRLGIQIQNQT-UXHICEINSA-N 0 0 383.492 3.572 10 0 GHAERN CC(C)[C@H](C)CC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112678826 866737228 /nfs/dbraw/zinc/73/72/28/866737228.db2.gz UYBKZAGFLQITFO-CABCVRRESA-N 0 0 376.526 3.686 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)ccc1OC(C)C ZINC000114742142 866771275 /nfs/dbraw/zinc/77/12/75/866771275.db2.gz GAOIJFCYLIGAMK-OAHLLOKOSA-N 0 0 380.535 3.807 10 0 GHAERN O=C(C=Cc1ccc(OCc2cccnc2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170681169 882047544 /nfs/dbraw/zinc/04/75/44/882047544.db2.gz NVKKXEHZSZZUBX-OSICKASQSA-N 0 0 388.471 3.803 10 0 GHAERN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C(C)C)cc1 ZINC000170890794 882068009 /nfs/dbraw/zinc/06/80/09/882068009.db2.gz VFGFQBXHLDUZEV-ZWKOTPCHSA-N 0 0 385.533 3.612 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c3c2CCCC3)cc1 ZINC000151431070 867478402 /nfs/dbraw/zinc/47/84/02/867478402.db2.gz NXRNPDDWPCHURH-MHECFPHRSA-N 0 0 393.531 3.827 10 0 GHAERN Cc1csc(-c2ccc(NC(=O)NC3CCN(c4ncccn4)CC3)cc2)n1 ZINC000171380039 882104005 /nfs/dbraw/zinc/10/40/05/882104005.db2.gz BJXMRMUDYMQHSG-UHFFFAOYSA-N 0 0 394.504 3.699 10 0 GHAERN Cc1[nH]c(C(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1C(=O)OC(C)C ZINC000171644118 882120431 /nfs/dbraw/zinc/12/04/31/882120431.db2.gz FDTCIBCPGXEEGX-AWEZNQCLSA-N 0 0 375.494 3.673 10 0 GHAERN O=C(Cc1csc(-c2cccnc2)n1)N1CCC(Cc2ccccn2)CC1 ZINC000171613324 882145920 /nfs/dbraw/zinc/14/59/20/882145920.db2.gz ATPYOPAPSMHQTK-UHFFFAOYSA-N 0 0 378.501 3.624 10 0 GHAERN CC(=O)N(c1nc(CN[C@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000172068195 882167669 /nfs/dbraw/zinc/16/76/69/882167669.db2.gz HQCWIWGXGVNHTP-SFTDATJTSA-N 0 0 393.512 3.884 10 0 GHAERN Cc1nnc([C@H](C)N2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267448 869257293 /nfs/dbraw/zinc/25/72/93/869257293.db2.gz PUILYEPXNYQCGS-HNNXBMFYSA-N 0 0 380.521 3.577 10 0 GHAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172496058 882290493 /nfs/dbraw/zinc/29/04/93/882290493.db2.gz VVCRJZFBJCJJRX-RBUKOAKNSA-N 0 0 381.476 3.759 10 0 GHAERN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)NCc2cccnc2-n2cncn2)cc1 ZINC000172540391 882294504 /nfs/dbraw/zinc/29/45/04/882294504.db2.gz SYZKOKBCLMMAKN-PXNSSMCTSA-N 0 0 390.491 3.654 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000172621212 882300209 /nfs/dbraw/zinc/30/02/09/882300209.db2.gz QALGOLOZYBCESN-FGZHOGPDSA-N 0 0 375.472 3.636 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126095298 869536912 /nfs/dbraw/zinc/53/69/12/869536912.db2.gz WESVKYPSTSPSKZ-UHFFFAOYSA-N 0 0 392.507 3.639 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1OC(F)F ZINC000172830473 882311371 /nfs/dbraw/zinc/31/13/71/882311371.db2.gz NVPQUFUSAIBHHM-CQSZACIVSA-N 0 0 382.363 3.869 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000172859706 882315254 /nfs/dbraw/zinc/31/52/54/882315254.db2.gz CFQURMVDIRLIII-NRFANRHFSA-N 0 0 393.487 3.819 10 0 GHAERN Cc1cc(Cl)cc2c1N(C(=O)C1CCN(C(=O)c3ccccn3)CC1)CCC2 ZINC000173063288 882318471 /nfs/dbraw/zinc/31/84/71/882318471.db2.gz GMVZDUIXKBOZHV-UHFFFAOYSA-N 0 0 397.906 3.875 10 0 GHAERN Cc1c(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cccc1N1CCNC1=O ZINC000173246174 882343352 /nfs/dbraw/zinc/34/33/52/882343352.db2.gz QGUGHOPTWCVIQS-QGZVFWFLSA-N 0 0 395.528 3.779 10 0 GHAERN C[C@@H](CC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)Cc1cccc(F)c1 ZINC000173369777 882357356 /nfs/dbraw/zinc/35/73/56/882357356.db2.gz CSARJLLRQAKEBF-MRXNPFEDSA-N 0 0 396.462 3.936 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000188094972 870266590 /nfs/dbraw/zinc/26/65/90/870266590.db2.gz JZZDOZPYYJTSOE-RBBKRZOGSA-N 0 0 377.488 3.651 10 0 GHAERN CN(C)c1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c2ccccc2n1 ZINC000173662096 882391275 /nfs/dbraw/zinc/39/12/75/882391275.db2.gz PHQLACADGNBQBZ-HNNXBMFYSA-N 0 0 395.532 3.847 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000190015627 870317523 /nfs/dbraw/zinc/31/75/23/870317523.db2.gz JOILRFMMRBXTBN-WBVHZDCISA-N 0 0 389.908 3.822 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC000192365202 870410086 /nfs/dbraw/zinc/41/00/86/870410086.db2.gz PWZBEBVPVXZQDR-ONENECBXSA-N 0 0 399.278 3.917 10 0 GHAERN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174070170 882421389 /nfs/dbraw/zinc/42/13/89/882421389.db2.gz HNSJEHNNDUBJII-UHFFFAOYSA-N 0 0 391.446 3.898 10 0 GHAERN CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174083890 882422856 /nfs/dbraw/zinc/42/28/56/882422856.db2.gz CCRGVZBZIGILJM-INIZCTEOSA-N 0 0 389.515 3.513 10 0 GHAERN O=c1nc(CN2CCO[C@@H]3CCCC[C@@H]32)[nH]c2scc(-c3ccccc3)c21 ZINC000103470078 870600694 /nfs/dbraw/zinc/60/06/94/870600694.db2.gz SJJSROIAGFGQJU-DLBZAZTESA-N 0 0 381.501 3.795 10 0 GHAERN O=c1nc(CN2CCO[C@H]3CCCC[C@@H]32)[nH]c2scc(-c3ccccc3)c21 ZINC000103470077 870601122 /nfs/dbraw/zinc/60/11/22/870601122.db2.gz SJJSROIAGFGQJU-IRXDYDNUSA-N 0 0 381.501 3.795 10 0 GHAERN O=C(c1ccc(N2CCCC2=O)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174085792 882423939 /nfs/dbraw/zinc/42/39/39/882423939.db2.gz PCTAFQVIGOBUFX-UHFFFAOYSA-N 0 0 381.451 3.669 10 0 GHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174090291 882425535 /nfs/dbraw/zinc/42/55/35/882425535.db2.gz SHODOYVYAOKDAY-UHFFFAOYSA-N 0 0 380.414 3.680 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)C2)c1 ZINC000109684828 870648341 /nfs/dbraw/zinc/64/83/41/870648341.db2.gz UDVSVJVGSGSLNQ-GOSISDBHSA-N 0 0 389.503 3.652 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C3CCN(C(=O)OCC(C)C)CC3)c21 ZINC000103127991 871353438 /nfs/dbraw/zinc/35/34/38/871353438.db2.gz UNCPUFYYXRHXMG-UHFFFAOYSA-N 0 0 385.508 3.640 10 0 GHAERN Cc1cccc([C@@H](C)NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1C ZINC000175002714 882514070 /nfs/dbraw/zinc/51/40/70/882514070.db2.gz BAACUFYHSYGQJA-QGZVFWFLSA-N 0 0 397.523 3.542 10 0 GHAERN O=C(NC1CCN(Cn2ccc(-c3ccc(F)cc3)n2)CC1)C1CCCCC1 ZINC000103264346 871559886 /nfs/dbraw/zinc/55/98/86/871559886.db2.gz ACARRWFAQHURAI-UHFFFAOYSA-N 0 0 384.499 3.808 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000175130167 882526288 /nfs/dbraw/zinc/52/62/88/882526288.db2.gz POZYLBTUWJVREP-PZJWPPBQSA-N 0 0 393.418 3.580 10 0 GHAERN COC(=O)c1cccc(-c2noc(C3CCN(C(=O)c4cccs4)CC3)n2)c1 ZINC000174874842 882534337 /nfs/dbraw/zinc/53/43/37/882534337.db2.gz XJQRDCVXQXOGLS-UHFFFAOYSA-N 0 0 397.456 3.605 10 0 GHAERN COc1ccc(F)cc1[C@H](C)NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175191534 882556609 /nfs/dbraw/zinc/55/66/09/882556609.db2.gz DYCJTSRRCNXRSR-HNNXBMFYSA-N 0 0 386.471 3.567 10 0 GHAERN Cc1nc(-c2ccccc2)sc1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103444533 872000476 /nfs/dbraw/zinc/00/04/76/872000476.db2.gz OAZWTDAMESQIPV-UHFFFAOYSA-N 0 0 375.494 3.763 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cc1 ZINC000175683098 882573274 /nfs/dbraw/zinc/57/32/74/882573274.db2.gz CKTPRDXCFRCMFG-VRXKTSEUSA-N 0 0 385.467 3.999 10 0 GHAERN O=C(NCc1nc(CN2CCC[C@H](c3nccs3)C2)cs1)c1ccccc1 ZINC000175616037 882604142 /nfs/dbraw/zinc/60/41/42/882604142.db2.gz MPQKYYKOEXYTFG-INIZCTEOSA-N 0 0 398.557 3.909 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c2cnn(C)c2n1 ZINC000175858069 882607149 /nfs/dbraw/zinc/60/71/49/882607149.db2.gz UHJARRADGPIREG-AWEZNQCLSA-N 0 0 383.521 3.876 10 0 GHAERN CSc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1Cl ZINC000175909160 882613833 /nfs/dbraw/zinc/61/38/33/882613833.db2.gz JJLQRODXQCFJAQ-UHFFFAOYSA-N 0 0 389.908 3.948 10 0 GHAERN O=C(CN1C(=O)CSc2ccccc21)OCc1nc(Cl)ccc1Cl ZINC000102155624 872647404 /nfs/dbraw/zinc/64/74/04/872647404.db2.gz NMSLVDRWDLZZHS-UHFFFAOYSA-N 0 0 383.256 3.571 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)C2)cc1 ZINC000176054635 882662068 /nfs/dbraw/zinc/66/20/68/882662068.db2.gz MSPPKKFPUWGYSX-ZBFHGGJFSA-N 0 0 399.466 3.946 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3c3nccs3)CC2)nc1 ZINC000176398526 882688815 /nfs/dbraw/zinc/68/88/15/882688815.db2.gz FTSGNJJEBISADE-QGZVFWFLSA-N 0 0 385.537 3.752 10 0 GHAERN O=C(C/C=C/c1ccccc1F)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000176460596 882694696 /nfs/dbraw/zinc/69/46/96/882694696.db2.gz QNLGRQVRJOXLRE-VFQAQYNWSA-N 0 0 386.496 3.850 10 0 GHAERN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000176733880 882708551 /nfs/dbraw/zinc/70/85/51/882708551.db2.gz BYSQUKYPSWZWPJ-BTYIYWSLSA-N 0 0 395.478 3.513 10 0 GHAERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000102648903 873386563 /nfs/dbraw/zinc/38/65/63/873386563.db2.gz AZMURKPAKDUJSF-UHFFFAOYSA-N 0 0 384.548 3.847 10 0 GHAERN O=C(Nc1ccc(-c2ccccc2)nn1)C1CCN(C(=O)c2cccs2)CC1 ZINC000176607173 882718872 /nfs/dbraw/zinc/71/88/72/882718872.db2.gz CAERYCOHBDQDJB-UHFFFAOYSA-N 0 0 392.484 3.696 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)n1 ZINC000116960237 873798822 /nfs/dbraw/zinc/79/88/22/873798822.db2.gz OICRLOBMUGKSAD-HXUWFJFHSA-N 0 0 381.524 3.759 10 0 GHAERN O=c1ccc(-c2ccccc2F)nn1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921156 873881688 /nfs/dbraw/zinc/88/16/88/873881688.db2.gz BZUOGKDOQXMOGA-LJQANCHMSA-N 0 0 393.418 3.573 10 0 GHAERN COC(=O)Nc1ccccc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000104052054 874092859 /nfs/dbraw/zinc/09/28/59/874092859.db2.gz OWZXSAMFOCRRSZ-UHFFFAOYSA-N 0 0 377.404 3.780 10 0 GHAERN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104256401 874244343 /nfs/dbraw/zinc/24/43/43/874244343.db2.gz QDISOFGYBLYOQY-UHFFFAOYSA-N 0 0 391.402 3.912 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCC(n3cncn3)CC2)c1)C1CCCCC1 ZINC000177321839 882818986 /nfs/dbraw/zinc/81/89/86/882818986.db2.gz ZYMCMQCVAYNHBO-UHFFFAOYSA-N 0 0 396.495 3.666 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)c1ncncc1Cl ZINC000178020275 882857434 /nfs/dbraw/zinc/85/74/34/882857434.db2.gz FREPOOOFRAMEQK-CYBMUJFWSA-N 0 0 382.295 3.922 10 0 GHAERN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CC=C(c2cccs2)CC1 ZINC000119181868 874961481 /nfs/dbraw/zinc/96/14/81/874961481.db2.gz ZXEKSXZGWZBYMO-UHFFFAOYSA-N 0 0 394.418 3.813 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)on1 ZINC000178314461 882903542 /nfs/dbraw/zinc/90/35/42/882903542.db2.gz PQFRNWQTHDCKFW-ICSRJNTNSA-N 0 0 380.469 3.663 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000119552884 875314974 /nfs/dbraw/zinc/31/49/74/875314974.db2.gz QTVXBKOUOFXBCY-KRWDZBQOSA-N 0 0 380.517 3.562 10 0 GHAERN Cc1cc(N(C)C)cc(C)c1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178622263 882926282 /nfs/dbraw/zinc/92/62/82/882926282.db2.gz WEYICDRSPKTCAO-UHFFFAOYSA-N 0 0 385.533 3.922 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178973206 882940805 /nfs/dbraw/zinc/94/08/05/882940805.db2.gz GYFASDBEMOHGDJ-UHFFFAOYSA-N 0 0 393.418 3.972 10 0 GHAERN CCN(CC)C(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000179378533 882967360 /nfs/dbraw/zinc/96/73/60/882967360.db2.gz JYBDGXMNLDWZMT-IBGZPJMESA-N 0 0 385.464 3.675 10 0 GHAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179405122 882970750 /nfs/dbraw/zinc/97/07/50/882970750.db2.gz VOEIUXDEPDPVBW-INIZCTEOSA-N 0 0 398.478 3.521 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(N4CCCC4=O)cc3)CCO2)o1 ZINC000179186872 882978135 /nfs/dbraw/zinc/97/81/35/882978135.db2.gz JEGVIKUONIELHN-JXFKEZNVSA-N 0 0 397.475 3.559 10 0 GHAERN O=C(Nc1ccccc1)C1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179492318 883002956 /nfs/dbraw/zinc/00/29/56/883002956.db2.gz KRSNXBSNIKMMJB-UHFFFAOYSA-N 0 0 389.459 3.959 10 0 GHAERN Cc1cc(C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)c(C)n1C1CC1 ZINC000121337714 876945128 /nfs/dbraw/zinc/94/51/28/876945128.db2.gz DXBLTEWVMGOJDK-UHFFFAOYSA-N 0 0 391.515 3.881 10 0 GHAERN Cc1c(C=CC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000121343997 876947859 /nfs/dbraw/zinc/94/78/59/876947859.db2.gz VCJZJIDZCKCEKL-GNISGLHKSA-N 0 0 375.476 3.538 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2CCC(C(=O)N3CCCCCC3)CC2)o1 ZINC000121375339 876957213 /nfs/dbraw/zinc/95/72/13/876957213.db2.gz PNZQQPURUPAXQD-UHFFFAOYSA-N 0 0 396.535 3.583 10 0 GHAERN O=C(OCc1nc(C2CC2)cs1)C1CCN(C(=O)c2cccs2)CC1 ZINC000180928684 883110194 /nfs/dbraw/zinc/11/01/94/883110194.db2.gz CFIINPYSGYCSIT-UHFFFAOYSA-N 0 0 376.503 3.678 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000122160869 878409080 /nfs/dbraw/zinc/40/90/80/878409080.db2.gz MKWWJSWSTXBGOD-UTKZUKDTSA-N 0 0 392.499 3.836 10 0 GHAERN Clc1ccc([C@@H](NCc2cnn(Cc3ccccc3)c2)c2ncon2)cc1 ZINC000122635975 879233056 /nfs/dbraw/zinc/23/30/56/879233056.db2.gz IZSFLSGZVJAMCD-LJQANCHMSA-N 0 0 379.851 3.847 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H]4[C@@H]4COCC[C@]4(C)O)cc3c2C1 ZINC000285448487 879307356 /nfs/dbraw/zinc/30/73/56/879307356.db2.gz PXZXROSVWMWIGZ-ULGMNBQASA-N 0 0 396.531 3.685 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000122751097 879397980 /nfs/dbraw/zinc/39/79/80/879397980.db2.gz PSELOIKEPIQNJT-KXBFYZLASA-N 0 0 378.472 3.606 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CC=C(c2ccccc2F)CC1 ZINC000122760289 879400545 /nfs/dbraw/zinc/40/05/45/879400545.db2.gz QDUBPRMECOLDPT-UHFFFAOYSA-N 0 0 381.329 3.854 10 0 GHAERN Cc1c([C@H](C)NCc2nnc(-c3ccccc3)s2)cnn1-c1ccccn1 ZINC000181314972 883136073 /nfs/dbraw/zinc/13/60/73/883136073.db2.gz PPHRMESEMRVODL-AWEZNQCLSA-N 0 0 376.489 3.945 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2cnn(C)c2)cc1 ZINC000182479985 883223110 /nfs/dbraw/zinc/22/31/10/883223110.db2.gz ABVXWGWKMBZRDG-GOSISDBHSA-N 0 0 399.495 3.554 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccc([S@](C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182736821 883233704 /nfs/dbraw/zinc/23/37/04/883233704.db2.gz SKNBCHSISUKMJB-CISHJPHDSA-N 0 0 398.528 3.682 10 0 GHAERN Cc1ccc(OC2CCN(Cc3nnc(Cc4ccccc4C)o3)CC2)nc1 ZINC000182846839 883244831 /nfs/dbraw/zinc/24/48/31/883244831.db2.gz CVQYGRZZXGQHQA-UHFFFAOYSA-N 0 0 378.476 3.716 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)CC2)n1 ZINC000183503702 883269106 /nfs/dbraw/zinc/26/91/06/883269106.db2.gz LXKWIKBDHYYXDA-UZLBHIALSA-N 0 0 379.508 3.547 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccc(F)cc3C2)c2ccc(F)cc2C1 ZINC000184008635 883296538 /nfs/dbraw/zinc/29/65/38/883296538.db2.gz HDSBJEMUOMLZEO-NRFANRHFSA-N 0 0 399.441 3.526 10 0 GHAERN O=C(Nc1ccccc1CN1CCNC1=O)N1CC=C(c2ccccc2)CC1 ZINC000184013573 883297701 /nfs/dbraw/zinc/29/77/01/883297701.db2.gz SRCLNEOXHHGJHK-UHFFFAOYSA-N 0 0 376.460 3.533 10 0 GHAERN CCC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184039668 883302571 /nfs/dbraw/zinc/30/25/71/883302571.db2.gz PNYRJLBLRIYCJN-OXQOHEQNSA-N 0 0 375.488 3.841 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183905260 883309211 /nfs/dbraw/zinc/30/92/11/883309211.db2.gz CLXVJYDESFUKFM-IBGZPJMESA-N 0 0 387.447 3.903 10 0 GHAERN COc1ccc(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC(C)C ZINC000184197069 883326798 /nfs/dbraw/zinc/32/67/98/883326798.db2.gz IWYYGCXOELRMPI-IBGZPJMESA-N 0 0 395.463 3.820 10 0 GHAERN CCCc1c(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cnn1-c1cccc(F)c1 ZINC000184526259 883352206 /nfs/dbraw/zinc/35/22/06/883352206.db2.gz BXSZSKFQYCVITH-GOSISDBHSA-N 0 0 396.470 3.857 10 0 GHAERN O=C(c1ccccc1Cl)N1CCC(Nc2cccc3c2OCC[C@H]3O)CC1 ZINC000184571478 883356643 /nfs/dbraw/zinc/35/66/43/883356643.db2.gz ILXKBISZKBNDRC-LJQANCHMSA-N 0 0 386.879 3.873 10 0 GHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000184485891 883360776 /nfs/dbraw/zinc/36/07/76/883360776.db2.gz SUNXYVYSUAHHKV-JSGCOSHPSA-N 0 0 387.427 3.537 10 0 GHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000184485909 883361271 /nfs/dbraw/zinc/36/12/71/883361271.db2.gz SUNXYVYSUAHHKV-OCCSQVGLSA-N 0 0 387.427 3.537 10 0 GHAERN Cn1ccnc1[C@@H](O)C1CCN(C(=O)/C=C/c2ccc3ccccc3c2)CC1 ZINC000184746696 883365647 /nfs/dbraw/zinc/36/56/47/883365647.db2.gz POJMIYUUOWHQQV-GLJAUCNMSA-N 0 0 375.472 3.559 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccc1NC(=O)c1ccco1 ZINC000184629048 883368818 /nfs/dbraw/zinc/36/88/18/883368818.db2.gz JAXVCEOIJOBJFA-MRXNPFEDSA-N 0 0 394.435 3.718 10 0 GHAERN COc1ccc(C)cc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184831782 883385049 /nfs/dbraw/zinc/38/50/49/883385049.db2.gz MGEGXOLKQODDNW-SFHVURJKSA-N 0 0 385.439 3.758 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3ccncc3)n2)c2ccc(F)cc2C1 ZINC000185248720 883429596 /nfs/dbraw/zinc/42/95/96/883429596.db2.gz BFCMPUSKOKOXDN-HXUWFJFHSA-N 0 0 391.450 3.892 10 0 GHAERN CCC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185247121 883429799 /nfs/dbraw/zinc/42/97/99/883429799.db2.gz OZZMOFVLADNUSD-AZUAARDMSA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(F)c(F)cc2F)c2ccc(F)cc2C1 ZINC000185316228 883453470 /nfs/dbraw/zinc/45/34/70/883453470.db2.gz ASRCYFWTJYSECV-QGZVFWFLSA-N 0 0 395.356 3.858 10 0 GHAERN O=C(c1ccc(F)c(Cl)c1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000185498293 883461481 /nfs/dbraw/zinc/46/14/81/883461481.db2.gz NPEAUBZUFUHBSU-UHFFFAOYSA-N 0 0 384.854 3.873 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2coc(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185521923 883550182 /nfs/dbraw/zinc/55/01/82/883550182.db2.gz ZDQLRAGOHKDEKA-LJQANCHMSA-N 0 0 393.418 3.704 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c(F)cccc2Cl)c2ccc(F)cc2C1 ZINC000185519344 883550301 /nfs/dbraw/zinc/55/03/01/883550301.db2.gz JQNMBJMMOVYNRC-IBGZPJMESA-N 0 0 392.833 3.770 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(Cl)cc2F)c2ccc(F)cc2C1 ZINC000185546674 883554122 /nfs/dbraw/zinc/55/41/22/883554122.db2.gz MUCSRKFRJRPANO-GOSISDBHSA-N 0 0 396.796 3.981 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@]23CCc2ccccc23)c2ccc(F)cc2C1 ZINC000185558761 883556788 /nfs/dbraw/zinc/55/67/88/883556788.db2.gz LBDVVLAMARADHZ-AOHZBQACSA-N 0 0 392.474 3.639 10 0 GHAERN CCCc1csc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)n1 ZINC000185637271 883569028 /nfs/dbraw/zinc/56/90/28/883569028.db2.gz CGEHPJXEJBXRIY-QGZVFWFLSA-N 0 0 390.484 3.850 10 0 GHAERN COCc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)o1 ZINC000186585836 883665794 /nfs/dbraw/zinc/66/57/94/883665794.db2.gz QZJZQGPXASDXMW-QGZVFWFLSA-N 0 0 384.436 3.772 10 0 GHAERN CN1Cc2cc(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)ccc2NC1=O ZINC000186596190 883668918 /nfs/dbraw/zinc/66/89/18/883668918.db2.gz IHMGITQMVWVZNW-HXUWFJFHSA-N 0 0 394.475 3.568 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccsc2)O1 ZINC000186676283 883686264 /nfs/dbraw/zinc/68/62/64/883686264.db2.gz CCQSQULYSGMGIO-YVEFUNNKSA-N 0 0 386.477 3.719 10 0 GHAERN CCc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CC2)cc1 ZINC000186697304 883688085 /nfs/dbraw/zinc/68/80/85/883688085.db2.gz YJXVQNUOQNDCBA-UHFFFAOYSA-N 0 0 393.491 3.580 10 0 GHAERN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@H](C)c2ccncc2OC)cc1 ZINC000187061012 883735439 /nfs/dbraw/zinc/73/54/39/883735439.db2.gz JOJZNOXCVMZELV-OXQOHEQNSA-N 0 0 383.492 3.503 10 0 GHAERN COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CCOCC2)nc1 ZINC000187597701 883802623 /nfs/dbraw/zinc/80/26/23/883802623.db2.gz MSIXKIVEPQMEIX-UHFFFAOYSA-N 0 0 376.460 3.601 10 0 GHAERN CSCc1cccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000187652245 883805940 /nfs/dbraw/zinc/80/59/40/883805940.db2.gz DOVXIEQSOPKKQS-UHFFFAOYSA-N 0 0 388.558 3.780 10 0 GHAERN C[C@H](NC(=O)c1cc(Br)ncc1Cl)[C@@H]1COc2ccccc21 ZINC000187664639 883806049 /nfs/dbraw/zinc/80/60/49/883806049.db2.gz BTHDMMDDOONHCE-CABZTGNLSA-N 0 0 381.657 3.792 10 0 GHAERN CC[C@H](C)Oc1cc(CNC(=O)N2CCC(Nc3nccs3)CC2)ccn1 ZINC000187771587 883807286 /nfs/dbraw/zinc/80/72/86/883807286.db2.gz PUYQIZZCBUTLSA-AWEZNQCLSA-N 0 0 389.525 3.502 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)C2(Cc3ccccc3F)CC2)CC1 ZINC000188392959 883838596 /nfs/dbraw/zinc/83/85/96/883838596.db2.gz QWJNTVGFRSLQFT-UHFFFAOYSA-N 0 0 386.492 3.585 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188403479 883846550 /nfs/dbraw/zinc/84/65/50/883846550.db2.gz LHVXNXOIBRVEMV-GOSISDBHSA-N 0 0 386.455 3.591 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000188609164 883866263 /nfs/dbraw/zinc/86/62/63/883866263.db2.gz WLRADCXOQLNKEK-MRXNPFEDSA-N 0 0 376.460 3.843 10 0 GHAERN CC(C)(C)OCc1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)no1 ZINC000188999312 883895059 /nfs/dbraw/zinc/89/50/59/883895059.db2.gz VQKGHGKPGFDDBD-ZDUSSCGKSA-N 0 0 378.498 3.535 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000189064158 883900157 /nfs/dbraw/zinc/90/01/57/883900157.db2.gz NLVXGFWBEZEKQS-NSHDSACASA-N 0 0 398.207 3.808 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000189106274 883919621 /nfs/dbraw/zinc/91/96/21/883919621.db2.gz NZRLRZOBIYTZCU-DOTOQJQBSA-N 0 0 395.484 3.807 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000063355454 883931669 /nfs/dbraw/zinc/93/16/69/883931669.db2.gz UGBANFJHBUJXGM-VQTJNVASSA-N 0 0 387.499 3.506 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CC2(c3ccccc3)CC2)c2ccccc2F)no1 ZINC000189457902 883956933 /nfs/dbraw/zinc/95/69/33/883956933.db2.gz KPVSJSAGRHDGHB-LJQANCHMSA-N 0 0 394.450 3.980 10 0 GHAERN CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189830433 884014780 /nfs/dbraw/zinc/01/47/80/884014780.db2.gz ZFMJHGKPISHIHV-UHFFFAOYSA-N 0 0 393.487 3.682 10 0 GHAERN CC(C)C(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189847119 884015860 /nfs/dbraw/zinc/01/58/60/884015860.db2.gz XLOBMOHSPPMSEL-UHFFFAOYSA-N 0 0 378.472 3.990 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1)NC1CC1 ZINC000189857122 884017266 /nfs/dbraw/zinc/01/72/66/884017266.db2.gz UYZCIEJTAARYJW-UHFFFAOYSA-N 0 0 391.471 3.679 10 0 GHAERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189966135 884027850 /nfs/dbraw/zinc/02/78/50/884027850.db2.gz WWHUKCIMYSYULP-GJZGRUSLSA-N 0 0 390.434 3.609 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(Br)c(C)[nH]c2=O)cs1 ZINC000190007481 884042567 /nfs/dbraw/zinc/04/25/67/884042567.db2.gz SFBGRQSEJSXGAG-ZDUSSCGKSA-N 0 0 382.283 3.600 10 0 GHAERN O=C(Cc1ccc(Br)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190387556 884075373 /nfs/dbraw/zinc/07/53/73/884075373.db2.gz PTDNYCOCFIPXDQ-UHFFFAOYSA-N 0 0 380.311 3.551 10 0 GHAERN CC(C)c1cccc2c1CCN(C(=O)C1CCN(C(=O)c3ccccn3)CC1)C2 ZINC000190695758 884109378 /nfs/dbraw/zinc/10/93/78/884109378.db2.gz JPMZKXPUHUYYGL-UHFFFAOYSA-N 0 0 391.515 3.642 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000190816254 884114090 /nfs/dbraw/zinc/11/40/90/884114090.db2.gz KHDLLMIITFTCLV-LBPRGKRZSA-N 0 0 398.207 3.808 10 0 GHAERN Cc1csc(C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1Br ZINC000190919973 884131797 /nfs/dbraw/zinc/13/17/97/884131797.db2.gz GTCPAHUOHIOYSM-ZDUSSCGKSA-N 0 0 391.294 3.765 10 0 GHAERN C[C@@H](Oc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1)c1ccccc1 ZINC000191801170 884211395 /nfs/dbraw/zinc/21/13/95/884211395.db2.gz HVXUBXAONJABMC-QGZVFWFLSA-N 0 0 376.460 3.895 10 0 GHAERN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1noc(-c2cc3sccc3[nH]2)n1 ZINC000191823405 884212994 /nfs/dbraw/zinc/21/29/94/884212994.db2.gz SHGCDJBPMMOZOX-GFCCVEGCSA-N 0 0 376.438 3.588 10 0 GHAERN COc1ccc(NC(=O)[C@H](C)N2CC3(CCOCC3)c3ccccc32)c(OC)c1 ZINC000192284313 884248763 /nfs/dbraw/zinc/24/87/63/884248763.db2.gz SMUZPZQOJBMUSC-INIZCTEOSA-N 0 0 396.487 3.599 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192406184 884260268 /nfs/dbraw/zinc/26/02/68/884260268.db2.gz WYEQHPAVELZOOK-UHFFFAOYSA-N 0 0 389.879 3.546 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cc(C(F)(F)F)ccn3)CC2)nc1 ZINC000192424741 884260852 /nfs/dbraw/zinc/26/08/52/884260852.db2.gz LLEJEHIICIMSEF-UHFFFAOYSA-N 0 0 379.386 3.594 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC3CCC4(CC3)OCCO4)C2)n1 ZINC000192623153 884271786 /nfs/dbraw/zinc/27/17/86/884271786.db2.gz VAILYWWDRPDHLU-MRXNPFEDSA-N 0 0 393.553 3.528 10 0 GHAERN O=C(Nc1cc(F)ccc1Cl)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192932074 884314553 /nfs/dbraw/zinc/31/45/53/884314553.db2.gz NVJKACIVTAFRFK-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000192952689 884315707 /nfs/dbraw/zinc/31/57/07/884315707.db2.gz ZJDJTYSBROYZTP-JKSUJKDBSA-N 0 0 386.377 3.706 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000193148955 884340825 /nfs/dbraw/zinc/34/08/25/884340825.db2.gz VZKDTNYYQKBHCP-HNNXBMFYSA-N 0 0 383.492 3.836 10 0 GHAERN O=C(NCc1cc2ccccc2o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000193335381 884343415 /nfs/dbraw/zinc/34/34/15/884343415.db2.gz UHFVNQJYXKKPAU-UHFFFAOYSA-N 0 0 383.492 3.757 10 0 GHAERN COc1ccccc1CN1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000102795715 884451168 /nfs/dbraw/zinc/45/11/68/884451168.db2.gz WZLBQZVUCLVQGP-QGZVFWFLSA-N 0 0 383.492 3.752 10 0 GHAERN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1cscn1 ZINC000102814694 884490683 /nfs/dbraw/zinc/49/06/83/884490683.db2.gz NUFYACDOKWJTKT-OAHLLOKOSA-N 0 0 395.484 3.846 10 0 GHAERN Fc1ccc(OCc2noc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102950506 884652909 /nfs/dbraw/zinc/65/29/09/884652909.db2.gz FFCCFHQZFOYBDH-QGZVFWFLSA-N 0 0 397.406 3.854 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152280271 884699338 /nfs/dbraw/zinc/69/93/38/884699338.db2.gz GLIKHMOKWGXRJX-SJLPKXTDSA-N 0 0 397.523 3.702 10 0 GHAERN COc1ccc(-c2nnc(SCc3nc(-c4ccoc4)no3)o2)cc1OC ZINC000105571986 884813325 /nfs/dbraw/zinc/81/33/25/884813325.db2.gz KEOCLWDVLSZDDX-UHFFFAOYSA-N 0 0 386.389 3.689 10 0 GHAERN O=c1c2sc(-c3ccccc3)cc2ncn1Cc1nc(-c2ccoc2)no1 ZINC000105573114 884813568 /nfs/dbraw/zinc/81/35/68/884813568.db2.gz GKCIDXIALUBUQR-UHFFFAOYSA-N 0 0 376.397 3.816 10 0 GHAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104203684 885342105 /nfs/dbraw/zinc/34/21/05/885342105.db2.gz WQKSZSACHUNHNF-UHFFFAOYSA-N 0 0 395.772 3.607 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000104350420 885387223 /nfs/dbraw/zinc/38/72/23/885387223.db2.gz KYGYZPHMJSUQLY-AWEZNQCLSA-N 0 0 384.442 3.647 10 0 GHAERN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104249441 886001446 /nfs/dbraw/zinc/00/14/46/886001446.db2.gz XXGTYKKHVGFNMZ-LJQANCHMSA-N 0 0 375.432 3.507 10 0 GHAERN O=C(NCc1ccccc1Sc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000107397399 886049251 /nfs/dbraw/zinc/04/92/51/886049251.db2.gz YQQLILLXVUERBU-UHFFFAOYSA-N 0 0 393.516 3.976 10 0 GHAERN O=C([C@@H]1CCCN1c1nccs1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000110604256 886205174 /nfs/dbraw/zinc/20/51/74/886205174.db2.gz ZMBURCJGXIADOF-INIZCTEOSA-N 0 0 382.489 3.659 10 0 GHAERN O=C(c1cnc2ccccc2c1O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218207 886286555 /nfs/dbraw/zinc/28/65/55/886286555.db2.gz GSFRPXKOHFELNL-QGZVFWFLSA-N 0 0 398.466 3.938 10 0 GHAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218157 886287483 /nfs/dbraw/zinc/28/74/83/886287483.db2.gz KWTPQXHNHGBBEZ-AZUAARDMSA-N 0 0 394.519 3.574 10 0 GHAERN O=Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000113912817 886302279 /nfs/dbraw/zinc/30/22/79/886302279.db2.gz UBLHTSYXMHNPQF-UHFFFAOYSA-N 0 0 388.826 3.783 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)o1 ZINC000032212118 886315155 /nfs/dbraw/zinc/31/51/55/886315155.db2.gz FATNAPMAIGCQJF-OUEBKFTGSA-N 0 0 376.460 3.865 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)c2ccccc2)[nH]1 ZINC000115840893 886350199 /nfs/dbraw/zinc/35/01/99/886350199.db2.gz HPKOYKIYAAHUKT-PKOBYXMFSA-N 0 0 378.480 3.602 10 0 GHAERN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000116253023 886357551 /nfs/dbraw/zinc/35/75/51/886357551.db2.gz FJKIIEUQVGXHPR-UZLBHIALSA-N 0 0 399.922 3.725 10 0 GHAERN C[C@H]1CN(c2ccc(C(=O)N3CC=C(c4cccs4)CC3)cn2)C[C@H](C)O1 ZINC000117720092 886391404 /nfs/dbraw/zinc/39/14/04/886391404.db2.gz AGAUHCAAICRSNA-HOTGVXAUSA-N 0 0 383.517 3.686 10 0 GHAERN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC=C(c2cccs2)CC1 ZINC000117856644 886395799 /nfs/dbraw/zinc/39/57/99/886395799.db2.gz BWTBUZPGDOGHQR-FQEVSTJZSA-N 0 0 393.512 3.593 10 0 GHAERN O=C(Nc1cc(Br)ccc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000118962469 886416634 /nfs/dbraw/zinc/41/66/34/886416634.db2.gz HAICIJIRGGQFKP-ZDUSSCGKSA-N 0 0 380.217 3.668 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)n1 ZINC000119786916 886479147 /nfs/dbraw/zinc/47/91/47/886479147.db2.gz USSDPMLHKCNJKW-AWEZNQCLSA-N 0 0 376.254 3.539 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(-c2ccccc2)no1 ZINC000119830229 886481218 /nfs/dbraw/zinc/48/12/18/886481218.db2.gz VCSJLROIYDZLJW-HOCLYGCPSA-N 0 0 397.504 3.886 10 0 GHAERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1nc3cc(C)ccc3[nH]1)CCC2 ZINC000332674251 886537593 /nfs/dbraw/zinc/53/75/93/886537593.db2.gz AFAWKCOLUOHCJG-QFBILLFUSA-N 0 0 392.507 3.800 10 0 GHAERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000332808071 886549529 /nfs/dbraw/zinc/54/95/29/886549529.db2.gz RYSVKYYZDPFPHA-RNKNFESXSA-N 0 0 395.528 3.520 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1)c1c(Cl)ccc(F)c1Cl ZINC000332811141 886550548 /nfs/dbraw/zinc/55/05/48/886550548.db2.gz XXRQTOGKHADAIN-DINDLPBHSA-N 0 0 391.270 3.831 10 0 GHAERN O=C(c1ccc(N2CCOC2=O)cc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124664189 886779974 /nfs/dbraw/zinc/77/99/74/886779974.db2.gz OCVAKAXHANSWBE-SFHVURJKSA-N 0 0 386.835 3.590 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)CSCC(=O)Nc2ccc(F)cc2)n1 ZINC000104928694 886785519 /nfs/dbraw/zinc/78/55/19/886785519.db2.gz IJVQHCWCNOGXGJ-UHFFFAOYSA-N 0 0 395.525 3.568 10 0 GHAERN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000104931451 886796717 /nfs/dbraw/zinc/79/67/17/886796717.db2.gz ZBAZCSWXDHCBCJ-CQSZACIVSA-N 0 0 391.345 3.534 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000042659607 886798733 /nfs/dbraw/zinc/79/87/33/886798733.db2.gz ZDCJAADLLHQOFA-VAWYXSNFSA-N 0 0 385.467 3.669 10 0 GHAERN CCCOc1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)c(C)c1 ZINC000126334538 886959263 /nfs/dbraw/zinc/95/92/63/886959263.db2.gz GQMZJZQBQZKMFX-UHFFFAOYSA-N 0 0 385.464 3.571 10 0 GHAERN CC(C)c1ccc(CN(C(=O)NCc2cccnc2-n2cncn2)C2CC2)cc1 ZINC000046097860 887141450 /nfs/dbraw/zinc/14/14/50/887141450.db2.gz PKEVIYVXSYICCN-UHFFFAOYSA-N 0 0 390.491 3.660 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C ZINC000104999830 887168962 /nfs/dbraw/zinc/16/89/62/887168962.db2.gz QMYUCGUURJGABT-UHFFFAOYSA-N 0 0 381.476 3.602 10 0 GHAERN O=C(c1cccnc1OCC(F)F)N1CCC(Nc2ccccc2F)CC1 ZINC000128545953 887201204 /nfs/dbraw/zinc/20/12/04/887201204.db2.gz QTTMPQXHSNNTRZ-UHFFFAOYSA-N 0 0 379.382 3.581 10 0 GHAERN CN(C)c1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000048207261 887426744 /nfs/dbraw/zinc/42/67/44/887426744.db2.gz QJJSATLTFPPSQN-UHFFFAOYSA-N 0 0 391.924 3.958 10 0 GHAERN O=C(Nc1ccc(CN2CCCC2=O)cc1)NC1CCN(c2cccs2)CC1 ZINC000131681674 887565139 /nfs/dbraw/zinc/56/51/39/887565139.db2.gz VOWCKQFYGDUNGE-UHFFFAOYSA-N 0 0 398.532 3.661 10 0 GHAERN Cc1nc(C)n(-c2ccccc2NC(=O)N2CCC[C@@H](c3nccs3)C2)n1 ZINC000131865978 887584139 /nfs/dbraw/zinc/58/41/39/887584139.db2.gz VLWSBOKGMDSEOH-OAHLLOKOSA-N 0 0 382.493 3.752 10 0 GHAERN Cc1c(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cccc1C(F)(F)F ZINC000132345394 887645188 /nfs/dbraw/zinc/64/51/88/887645188.db2.gz BLRFLUGAKJZASC-UHFFFAOYSA-N 0 0 391.393 3.900 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@@](=O)Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000132944397 887714802 /nfs/dbraw/zinc/71/48/02/887714802.db2.gz RXIJPDDUJZTFJJ-ZHZWEUQESA-N 0 0 396.469 3.522 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)ccc1F ZINC000133485828 887769918 /nfs/dbraw/zinc/76/99/18/887769918.db2.gz QJYJUYDONSKVFS-CSKARUKUSA-N 0 0 388.483 3.535 10 0 GHAERN NC(=O)CSc1nnc(SCc2ncc(-c3ccccc3Cl)o2)s1 ZINC000133743018 887794872 /nfs/dbraw/zinc/79/48/72/887794872.db2.gz NAKKTXJTLASCKL-UHFFFAOYSA-N 0 0 398.922 3.716 10 0 GHAERN CCCCCOc1ccc(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134291537 887848698 /nfs/dbraw/zinc/84/86/98/887848698.db2.gz HYRDRETZSHZPHE-QUCCMNQESA-N 0 0 385.508 3.575 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000054102417 888265105 /nfs/dbraw/zinc/26/51/05/888265105.db2.gz QXUQCXBFHHCUQV-UHFFFAOYSA-N 0 0 389.499 3.790 10 0 GHAERN Cc1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)n(Cc2ccccc2)n1 ZINC000054141374 888265799 /nfs/dbraw/zinc/26/57/99/888265799.db2.gz MVAQFQHGQHIVHL-SFHVURJKSA-N 0 0 392.484 3.681 10 0 GHAERN Cc1cc(C)n(-c2cccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)c2)n1 ZINC000137113390 888334666 /nfs/dbraw/zinc/33/46/66/888334666.db2.gz HKMDZHYUYYYFTJ-FQEVSTJZSA-N 0 0 377.448 3.569 10 0 GHAERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1cccnc1-n1cccn1 ZINC000194440936 888587425 /nfs/dbraw/zinc/58/74/25/888587425.db2.gz DNHGUKZAGYQGEW-UHFFFAOYSA-N 0 0 389.381 3.628 10 0 GHAERN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000195378853 888657158 /nfs/dbraw/zinc/65/71/58/888657158.db2.gz ROXZZOCATGIIJJ-GOSISDBHSA-N 0 0 375.428 3.663 10 0 GHAERN CSc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nncn3C(C)C)C2)c1 ZINC000245434051 888751930 /nfs/dbraw/zinc/75/19/30/888751930.db2.gz PMHFQKZFXXGWTC-HZPDHXFCSA-N 0 0 387.553 3.788 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000245672375 889199879 /nfs/dbraw/zinc/19/98/79/889199879.db2.gz DYLLFERQPAGQLU-BPQIPLTHSA-N 0 0 390.915 3.680 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245703080 889307693 /nfs/dbraw/zinc/30/76/93/889307693.db2.gz WGEQYGJIBNVERO-WSTZPKSXSA-N 0 0 398.551 3.632 10 0 GHAERN Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245752707 889639374 /nfs/dbraw/zinc/63/93/74/889639374.db2.gz XYBUNBQUUUQPHX-WBMJQRKESA-N 0 0 399.297 3.597 10 0 GHAERN CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ncccc1F ZINC000245937025 890078883 /nfs/dbraw/zinc/07/88/83/890078883.db2.gz ABSSGNAYOOESGA-QRQLOZEOSA-N 0 0 381.451 3.657 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C)nn2-c2ccccn2)C12CCCC2 ZINC000172689400 890127749 /nfs/dbraw/zinc/12/77/49/890127749.db2.gz KFWMEJGJLURNRN-SJORKVTESA-N 0 0 383.496 3.777 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000246092341 890348088 /nfs/dbraw/zinc/34/80/88/890348088.db2.gz NURAYCDJPDKJJD-FSPWUOQZSA-N 0 0 392.862 3.621 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3ccco3)cc2)CCO1 ZINC000246102614 890378534 /nfs/dbraw/zinc/37/85/34/890378534.db2.gz NLSKOCPJZRQKLT-LSTHTHJFSA-N 0 0 399.491 3.625 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000068714125 891184648 /nfs/dbraw/zinc/18/46/48/891184648.db2.gz RGGJKUBZIMDBJZ-VQIMIIECSA-N 0 0 375.513 3.556 10 0 GHAERN O=C(CCC1CCCCC1)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000071486651 891231975 /nfs/dbraw/zinc/23/19/75/891231975.db2.gz DOIRRVISBFRKPV-UHFFFAOYSA-N 0 0 398.503 3.799 10 0 GHAERN O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1c(Cl)cccc1C(F)(F)F ZINC000246525407 891283472 /nfs/dbraw/zinc/28/34/72/891283472.db2.gz ABWUPJYWVYQVHF-OLZOCXBDSA-N 0 0 394.846 3.504 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000246798260 891306451 /nfs/dbraw/zinc/30/64/51/891306451.db2.gz JPPBHPKYSMTHSC-VSDWSMLSSA-N 0 0 390.483 3.939 10 0 GHAERN Cc1[nH]c2ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cc2c1C ZINC000247217965 891355759 /nfs/dbraw/zinc/35/57/59/891355759.db2.gz MVHZJSIGLFFLTQ-VFNWGFHPSA-N 0 0 376.504 3.820 10 0 GHAERN CN(C(=O)CN1CCCCC[C@H]1C[C@@H](O)c1cccs1)c1nccs1 ZINC000247328949 891367960 /nfs/dbraw/zinc/36/79/60/891367960.db2.gz YKGMIJQKLDUTNK-LSDHHAIUSA-N 0 0 379.551 3.536 10 0 GHAERN CN1CCC(=O)Nc2cc(C(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)ccc21 ZINC000247666741 891390633 /nfs/dbraw/zinc/39/06/33/891390633.db2.gz YVGHXHSNLSPDHP-IEBWSBKVSA-N 0 0 397.519 3.609 10 0 GHAERN C[N@@H+]1CC[C@H](NC(=O)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1c1ccccc1 ZINC000247978753 891404136 /nfs/dbraw/zinc/40/41/36/891404136.db2.gz GVGODZRLWYDFRQ-PZJWPPBQSA-N 0 0 379.435 3.585 10 0 GHAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000248636328 891450396 /nfs/dbraw/zinc/45/03/96/891450396.db2.gz KJRGYKXICVHRAE-FKBYEOEOSA-N 0 0 396.462 3.548 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000248659758 891453070 /nfs/dbraw/zinc/45/30/70/891453070.db2.gz GVVYBALOCZGZAH-VGWMRTNUSA-N 0 0 396.553 3.712 10 0 GHAERN CCN(CC1CC1)S(=O)(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000248659175 891453101 /nfs/dbraw/zinc/45/31/01/891453101.db2.gz YPENUUWFQVUZKE-LJQANCHMSA-N 0 0 393.940 3.733 10 0 GHAERN CCOC(=O)c1csc([C@@H]2CCCN2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814661 891471514 /nfs/dbraw/zinc/47/15/14/891471514.db2.gz UBXPEEHULOWTLI-JKSUJKDBSA-N 0 0 380.897 3.844 10 0 GHAERN Fc1ccc(CN2CCC[C@H](N[C@@H](c3ncc[nH]3)c3ccncc3)C2)c(Cl)c1 ZINC000249088838 891493818 /nfs/dbraw/zinc/49/38/18/891493818.db2.gz NPWVXEJSRWKJCB-AZUAARDMSA-N 0 0 399.901 3.941 10 0 GHAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(OCc4ccccc4)c3)[C@H]2C1 ZINC000252801622 891750153 /nfs/dbraw/zinc/75/01/53/891750153.db2.gz CPOZOPVEHZSOJT-BAGYTPMASA-N 0 0 381.472 3.674 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2CCC[C@@H]2Cc2ccccc2OC)c1 ZINC000104341915 898141256 /nfs/dbraw/zinc/14/12/56/898141256.db2.gz WOWXMWAYISNLNF-HXUWFJFHSA-N 0 0 380.488 3.634 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000104414712 898144983 /nfs/dbraw/zinc/14/49/83/898144983.db2.gz XMJWCCXYKQWCCP-UHFFFAOYSA-N 0 0 393.871 3.569 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCOCC1)N(Cc1ccco1)C1CCCC1 ZINC000105352774 898207566 /nfs/dbraw/zinc/20/75/66/898207566.db2.gz MYECTBUIVCOBAH-UHFFFAOYSA-N 0 0 397.475 3.729 10 0 GHAERN C[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119896308 899701035 /nfs/dbraw/zinc/70/10/35/899701035.db2.gz MNJKJZPSRDPKJO-ZIAGYGMSSA-N 0 0 385.501 3.534 10 0 GHAERN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)[C@H]1CCc2ccccc21 ZINC000333026669 899902416 /nfs/dbraw/zinc/90/24/16/899902416.db2.gz GOEXXKXBBPSZEI-MJGOQNOKSA-N 0 0 395.503 3.969 10 0 GHAERN C[C@@H]1OCC[C@]12CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CCO2 ZINC000333505069 902141632 /nfs/dbraw/zinc/14/16/32/902141632.db2.gz KXDATJLHEMMPII-MCBIMKKHSA-N 0 0 399.318 3.686 10 0 GHAERN Cc1nc([C@@H]2CN(c3cc4nccc(Br)c4cc3C)CCO2)no1 ZINC000333554551 902187358 /nfs/dbraw/zinc/18/73/58/902187358.db2.gz NBDNPGYQNABKMO-INIZCTEOSA-N 0 0 389.253 3.575 10 0 GHAERN CC(C)(CNC(=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1)C1(O)CCOCC1 ZINC000333868096 902383296 /nfs/dbraw/zinc/38/32/96/902383296.db2.gz BETOAPICBOPABO-IBGZPJMESA-N 0 0 386.536 3.533 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000175903981 905699611 /nfs/dbraw/zinc/69/96/11/905699611.db2.gz RTYMACXRVIXIOQ-XHDPSFHLSA-N 0 0 396.871 3.758 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183353535 907372742 /nfs/dbraw/zinc/37/27/42/907372742.db2.gz OEYOIXZXCDOYLL-GFCCVEGCSA-N 0 0 386.200 3.605 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000183425743 907385674 /nfs/dbraw/zinc/38/56/74/907385674.db2.gz YTXOOFDJCFYPJC-OAHLLOKOSA-N 0 0 390.875 3.956 10 0 GHAERN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183511332 907403951 /nfs/dbraw/zinc/40/39/51/907403951.db2.gz BXPRBUUMXBOGMP-GFCCVEGCSA-N 0 0 387.337 3.644 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184882496 907674391 /nfs/dbraw/zinc/67/43/91/907674391.db2.gz UFNYHSSRIGYHHS-HNNXBMFYSA-N 0 0 393.875 3.633 10 0 GHAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185355651 907756462 /nfs/dbraw/zinc/75/64/62/907756462.db2.gz YOUXFNRDLNRZDU-MRXNPFEDSA-N 0 0 384.484 3.857 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cnc(Cl)c(Cl)c2)cs1 ZINC000188004324 908167153 /nfs/dbraw/zinc/16/71/53/908167153.db2.gz KWIFAPLDHLHWBL-LBPRGKRZSA-N 0 0 378.306 3.679 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000189439760 908323243 /nfs/dbraw/zinc/32/32/43/908323243.db2.gz HUJYUSSGAVGZEW-GXTWGEPZSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000190035734 908410262 /nfs/dbraw/zinc/41/02/62/908410262.db2.gz WYPIRJQGEVYRNA-KTJBFALPSA-N 0 0 398.850 3.581 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)C1 ZINC000190042679 908411568 /nfs/dbraw/zinc/41/15/68/908411568.db2.gz JXJWAEBAFDXRPG-HDEOUBMNSA-N 0 0 395.381 3.789 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCSc2ccccc2Cl)C1 ZINC000190059788 908415868 /nfs/dbraw/zinc/41/58/68/908415868.db2.gz QVYOKECGUYQEHC-TZMCWYRMSA-N 0 0 381.885 3.502 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 ZINC000190060043 908416380 /nfs/dbraw/zinc/41/63/80/908416380.db2.gz OBLMKLFKPMPILB-KNFPLBEISA-N 0 0 395.381 3.789 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000190114264 908429497 /nfs/dbraw/zinc/42/94/97/908429497.db2.gz ZPSQFFSSDRYIKD-CRAIPNDOSA-N 0 0 378.432 3.624 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 ZINC000190114210 908429667 /nfs/dbraw/zinc/42/96/67/908429667.db2.gz ZHHFGKPQZKQWMX-JSGCOSHPSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000190126488 908432456 /nfs/dbraw/zinc/43/24/56/908432456.db2.gz CIIOKEXKMUMNQE-ZWNOBZJWSA-N 0 0 388.321 3.530 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000190126049 908432701 /nfs/dbraw/zinc/43/27/01/908432701.db2.gz VANKDOABNDDQFU-DGCLKSJQSA-N 0 0 382.873 3.747 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(SC)c(Cl)c2)C1 ZINC000190132753 908434360 /nfs/dbraw/zinc/43/43/60/908434360.db2.gz DEWKBCKKLSWPGH-AAEUAGOBSA-N 0 0 382.873 3.747 10 0 GHAERN Cc1nc(Cc2nnc(SCc3noc(-c4ccc(F)cc4)n3)o2)cs1 ZINC000363088262 917752238 /nfs/dbraw/zinc/75/22/38/917752238.db2.gz VNIPEMXGQRHWOD-UHFFFAOYSA-N 0 0 389.437 3.907 10 0 GHAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 ZINC000365140928 920426671 /nfs/dbraw/zinc/42/66/71/920426671.db2.gz XPHWGHKVKSVKDT-DLBZAZTESA-N 0 0 376.460 3.550 10 0 GHAERN CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1nc(Cl)c(C(=O)[O-])s1 ZINC000720076729 978024812 /nfs/dbraw/zinc/02/48/12/978024812.db2.gz XDZHBDPYBUQOIN-CQSZACIVSA-N 0 0 379.913 3.986 10 0 GHAERN COC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2cc(C(C)C)ccc21 ZINC000098038099 209135349 /nfs/dbraw/zinc/13/53/49/209135349.db2.gz OZBOXBZIBRBUEW-CQSZACIVSA-N 0 0 377.444 3.712 10 0 GHAERN Clc1ccccc1Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000032603953 206256639 /nfs/dbraw/zinc/25/66/39/206256639.db2.gz HMYGNMCGZAWEMJ-UHFFFAOYSA-N 0 0 382.855 3.849 10 0 GHAERN CCCn1c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc2n(CCC)c1=O ZINC000002649261 206425192 /nfs/dbraw/zinc/42/51/92/206425192.db2.gz XFYSMYCMXGKFFR-UHFFFAOYSA-N 0 0 381.354 3.657 10 0 GHAERN COc1ccc(C(=O)N[C@H](C)c2ccccc2Br)c(OC)c1OC ZINC000014425916 207020580 /nfs/dbraw/zinc/02/05/80/207020580.db2.gz AJBVSNGXFAGASJ-LLVKDONJSA-N 0 0 394.265 3.966 10 0 GHAERN CC[C@@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2c1C ZINC000020115760 207179036 /nfs/dbraw/zinc/17/90/36/207179036.db2.gz PMUIKAYRYOPJPK-ZIAGYGMSSA-N 0 0 392.521 3.690 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)c2cc(-c3cn[nH]c3)nc3ccc(F)cc32)cn1 ZINC000020994534 207223536 /nfs/dbraw/zinc/22/35/36/207223536.db2.gz VVNIXOLJMHUPOB-ZDUSSCGKSA-N 0 0 375.407 3.958 10 0 GHAERN Cc1ccc2nc(-c3cn[nH]c3)c(C)c(C(=O)N[C@@H](C)CCn3cccn3)c2c1 ZINC000032573349 207397846 /nfs/dbraw/zinc/39/78/46/207397846.db2.gz DMNGTRTZBYHHDL-HNNXBMFYSA-N 0 0 388.475 3.647 10 0 GHAERN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(c2nnc3cccc(C)n32)C1 ZINC000065312298 207860256 /nfs/dbraw/zinc/86/02/56/207860256.db2.gz SPQLOCGZLIRZIS-CQSZACIVSA-N 0 0 399.882 3.555 10 0 GHAERN COc1ccc(CNC(=O)c2c(C)sc3c2ncn(C2CCCC2)c3=O)cc1 ZINC000065297621 207860397 /nfs/dbraw/zinc/86/03/97/207860397.db2.gz CXEFUNFQHFUHEL-UHFFFAOYSA-N 0 0 397.500 3.820 10 0 GHAERN Cc1nnc(SCc2ccccc2C(N)=O)n1-c1cccc(C(F)(F)F)c1 ZINC000085421444 208100793 /nfs/dbraw/zinc/10/07/93/208100793.db2.gz BYNMOYNNUCKLMZ-UHFFFAOYSA-N 0 0 392.406 3.986 10 0 GHAERN O=C([O-])C1CC[NH+]([C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000095934645 208240057 /nfs/dbraw/zinc/24/00/57/208240057.db2.gz MRIXFXNPCSKGGI-GOSISDBHSA-N 0 0 389.293 3.925 10 0 GHAERN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N1CCC(C)CC1 ZINC000096396479 208313587 /nfs/dbraw/zinc/31/35/87/208313587.db2.gz QCZBKDOHLRMDSJ-UHFFFAOYSA-N 0 0 382.435 3.962 10 0 GHAERN O=C(/C=C\c1ccccc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000101323204 208390611 /nfs/dbraw/zinc/39/06/11/208390611.db2.gz LPCJMSUIYMKSCL-KHPPLWFESA-N 0 0 389.904 3.818 10 0 GHAERN O=C(CN1c2ncccc2N=C(c2ccccc2)CC1=O)Nc1ccc(F)cc1 ZINC000101881999 208397530 /nfs/dbraw/zinc/39/75/30/208397530.db2.gz IVBWBOWEBBKDEZ-UHFFFAOYSA-N 0 0 388.402 3.717 10 0 GHAERN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000103618512 208427890 /nfs/dbraw/zinc/42/78/90/208427890.db2.gz BFWXVVPJWJZVTH-BPQIPLTHSA-N 0 0 377.440 3.760 10 0 GHAERN COc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 ZINC000002286904 570281263 /nfs/dbraw/zinc/28/12/63/570281263.db2.gz MFNQFMLEIQJMEH-AQTBWJFISA-N 0 0 391.496 3.672 10 0 GHAERN O=C(NC1CCCCC1)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920780 570547753 /nfs/dbraw/zinc/54/77/53/570547753.db2.gz DPIQXKOZWOHLPJ-LJQANCHMSA-N 0 0 388.483 3.776 10 0 GHAERN CCC(=O)N1CCc2ccc(OCC(=O)NCC(C)C)cc2[C@H]1c1ccccc1 ZINC000037601318 570573059 /nfs/dbraw/zinc/57/30/59/570573059.db2.gz MVDQQVXLNPZIOP-XMMPIXPASA-N 0 0 394.515 3.722 10 0 GHAERN Cc1c(-c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)nc2ncccn12 ZINC000004033238 570727750 /nfs/dbraw/zinc/72/77/50/570727750.db2.gz MVAKDYDGVXTQCX-UHFFFAOYSA-N 0 0 378.457 3.814 10 0 GHAERN Cc1cccc(Cc2c(C)nc(CN(Cc3ccco3)C(=O)C(C)C)[nH]c2=O)c1 ZINC000097949464 570776691 /nfs/dbraw/zinc/77/66/91/570776691.db2.gz ZOCSRBFEONFZKD-UHFFFAOYSA-N 0 0 393.487 3.755 10 0 GHAERN Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000583621506 570801914 /nfs/dbraw/zinc/80/19/14/570801914.db2.gz VCOPANMHFAFAJI-INIZCTEOSA-N 0 0 382.395 3.652 10 0 GHAERN CCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)CC)cc2)nc1 ZINC000033138652 570822755 /nfs/dbraw/zinc/82/27/55/570822755.db2.gz JOLWEMXMBBUNLO-UHFFFAOYSA-N 0 0 393.534 3.524 10 0 GHAERN Cc1ccc([C@@H](NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)C2CC2)cc1 ZINC000332905597 837449393 /nfs/dbraw/zinc/44/93/93/837449393.db2.gz VMOFNCHGGFNMRV-PZJWPPBQSA-N 0 0 379.508 3.547 10 0 GHAERN O=C(c1cc(F)c(F)cc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000105013927 837499302 /nfs/dbraw/zinc/49/93/02/837499302.db2.gz MIVVBXAPJMCGFN-UHFFFAOYSA-N 0 0 384.854 3.873 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCCc2c[nH]c3cccc(C)c23)c2ccccc2)[nH]1 ZINC000105244173 837527339 /nfs/dbraw/zinc/52/73/39/837527339.db2.gz UALHYILYRSSRMT-HXUWFJFHSA-N 0 0 388.475 3.534 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c1)c1ccccc1 ZINC000157327479 834868682 /nfs/dbraw/zinc/86/86/82/834868682.db2.gz WIJNTLZLCUZYNU-HXUWFJFHSA-N 0 0 389.459 3.832 10 0 GHAERN Cc1cccc(OC(F)F)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157844207 835117453 /nfs/dbraw/zinc/11/74/53/835117453.db2.gz QIPSAXKKHYBJPM-UHFFFAOYSA-N 0 0 378.423 3.817 10 0 GHAERN O=C(NC1CCC(C(=O)Nc2cccc(-c3ncon3)c2)CC1)C1CCCC1 ZINC000101524795 835302276 /nfs/dbraw/zinc/30/22/76/835302276.db2.gz IRALETPEGNSXRL-UHFFFAOYSA-N 0 0 382.464 3.540 10 0 GHAERN O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000158643221 835478661 /nfs/dbraw/zinc/47/86/61/835478661.db2.gz GOPCJKZRJILTSM-AWEZNQCLSA-N 0 0 390.530 3.803 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000245980073 835782212 /nfs/dbraw/zinc/78/22/12/835782212.db2.gz YCKLVTFMGSJLNN-BRWVUGGUSA-N 0 0 384.549 3.884 10 0 GHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159356602 835816757 /nfs/dbraw/zinc/81/67/57/835816757.db2.gz IZGRYFCNHNOTJL-LLVKDONJSA-N 0 0 375.354 3.562 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)C2)cc1 ZINC000246983405 835958091 /nfs/dbraw/zinc/95/80/91/835958091.db2.gz PZMPMWVLHDCZRQ-HBMCJLEFSA-N 0 0 396.531 3.598 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 ZINC000245969247 844112487 /nfs/dbraw/zinc/11/24/87/844112487.db2.gz ZDWJDXZIJPTVOF-CFVMTHIKSA-N 0 0 381.402 3.749 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3c3ccccc3Cl)C2)nn1 ZINC000332905567 836967715 /nfs/dbraw/zinc/96/77/15/836967715.db2.gz VISDGLRFEVQQRF-APWZRJJASA-N 0 0 399.926 3.954 10 0 GHAERN CC(C)n1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c2ccccc2c1=O ZINC000408062301 838286127 /nfs/dbraw/zinc/28/61/27/838286127.db2.gz HAAYSPQJASDAIU-YYDVJCTNSA-N 0 0 397.519 3.523 10 0 GHAERN C[C@H](C1CCCCC1)N(C)C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000407978721 838365233 /nfs/dbraw/zinc/36/52/33/838365233.db2.gz FGWFFQHXGFFFHC-IPJUCJBFSA-N 0 0 395.613 3.731 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1=O ZINC000246483830 844383992 /nfs/dbraw/zinc/38/39/92/844383992.db2.gz YOCDCBCVIXXYHO-VELGLUOQSA-N 0 0 386.536 3.554 10 0 GHAERN Cc1oc2nc(CN3CCCN(Cc4ccc(Cl)cc4)CC3)nc(N)c2c1C ZINC000330065767 839044070 /nfs/dbraw/zinc/04/40/70/839044070.db2.gz SHPGKBNYUUITOI-UHFFFAOYSA-N 0 0 399.926 3.783 10 0 GHAERN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333255556 844444980 /nfs/dbraw/zinc/44/49/80/844444980.db2.gz SVTXNYNXHXVBQO-SYKKWBAMSA-N 0 0 397.519 3.831 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000117034033 839538950 /nfs/dbraw/zinc/53/89/50/839538950.db2.gz OHITVMPLMNSZOU-PKOBYXMFSA-N 0 0 399.539 3.932 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](C)Cc3ccc(C)cc3C)C2)n1 ZINC000117048112 839539161 /nfs/dbraw/zinc/53/91/61/839539161.db2.gz FSNSMUNBUFXTEG-XLIONFOSSA-N 0 0 383.540 3.565 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(OC2CCCCC2)c1 ZINC000119087682 840032820 /nfs/dbraw/zinc/03/28/20/840032820.db2.gz IXRZWYSHMAPZMQ-SFHVURJKSA-N 0 0 380.492 3.587 10 0 GHAERN O=C(N[C@@H]1CCCc2c[nH]nc21)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000332732702 844526487 /nfs/dbraw/zinc/52/64/87/844526487.db2.gz NTMCLJCHNQETBP-MDZRGWNJSA-N 0 0 386.293 3.570 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@@H]43)s2)cs1 ZINC000119750142 840393129 /nfs/dbraw/zinc/39/31/29/840393129.db2.gz HKYSLDOXUAQRNT-UONOGXRCSA-N 0 0 384.548 3.512 10 0 GHAERN C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc(-c2ccc(F)cc2)no1 ZINC000109550596 840415793 /nfs/dbraw/zinc/41/57/93/840415793.db2.gz XFGMSVYIMSDJLQ-HNNXBMFYSA-N 0 0 395.434 3.801 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000332821938 844582166 /nfs/dbraw/zinc/58/21/66/844582166.db2.gz CHOOZBMCVDZKPM-DRZCJDIDSA-N 0 0 392.297 3.784 10 0 GHAERN Cc1cnc([C@@H](C)NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)o1 ZINC000332853008 844593870 /nfs/dbraw/zinc/59/38/70/844593870.db2.gz GPUVOMJKZBPZDI-GDBMZVCRSA-N 0 0 386.500 3.799 10 0 GHAERN O=C(c1ncncc1Cl)N1CCC(c2ccccc2Br)CC1 ZINC000188869872 841075944 /nfs/dbraw/zinc/07/59/44/841075944.db2.gz ZGTSFFFAWUZJTJ-UHFFFAOYSA-N 0 0 380.673 3.912 10 0 GHAERN COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@H](C)C4)ncn3)CC2)cc1 ZINC000301242490 841155013 /nfs/dbraw/zinc/15/50/13/841155013.db2.gz MZTHPPCRNWLLDR-KRWDZBQOSA-N 0 0 394.519 3.821 10 0 GHAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119808539 841230164 /nfs/dbraw/zinc/23/01/64/841230164.db2.gz XZIUPGFGQRDMJG-KZULUSFZSA-N 0 0 377.282 3.698 10 0 GHAERN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408154970 841290511 /nfs/dbraw/zinc/29/05/11/841290511.db2.gz OBIGCOTVVCSUBL-BFUOFWGJSA-N 0 0 378.444 3.856 10 0 GHAERN Brc1ccc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)s1 ZINC000246438294 841307583 /nfs/dbraw/zinc/30/75/83/841307583.db2.gz WFDIGMSENUUQRL-GHMZBOCLSA-N 0 0 384.299 3.704 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000109208739 841404769 /nfs/dbraw/zinc/40/47/69/841404769.db2.gz PZKBATMWQYHHFI-MRXNPFEDSA-N 0 0 378.476 3.937 10 0 GHAERN COC(=O)[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)c1ccc2ccccc2c1 ZINC000588424305 841997054 /nfs/dbraw/zinc/99/70/54/841997054.db2.gz WLOATKBEAWDWJJ-QKWWCAPFSA-N 0 0 380.831 3.932 10 0 GHAERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408190572 842170744 /nfs/dbraw/zinc/17/07/44/842170744.db2.gz AMLNFUIZZJNCTQ-AFYVEPGGSA-N 0 0 391.943 3.644 10 0 GHAERN C[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@H]2c2nnc(-c3cccs3)o2)C1 ZINC000329322228 861284916 /nfs/dbraw/zinc/28/49/16/861284916.db2.gz RTCMJGKKKLDVEX-ILXRZTDVSA-N 0 0 375.494 3.914 10 0 GHAERN Cc1nc(-c2cccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c2)cs1 ZINC000588434260 842465842 /nfs/dbraw/zinc/46/58/42/842465842.db2.gz AODPIUQUGZJSFT-WAYWQWQTSA-N 0 0 387.505 3.929 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000588434369 842480964 /nfs/dbraw/zinc/48/09/64/842480964.db2.gz GYCUNXYQVDKSGM-PLNGDYQASA-N 0 0 391.855 3.806 10 0 GHAERN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408349125 842690151 /nfs/dbraw/zinc/69/01/51/842690151.db2.gz GVPDLFWYKJAUHU-VLIAUNLRSA-N 0 0 377.554 3.572 10 0 GHAERN O=C(/C=C\c1ccncn1)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC000588438753 842733127 /nfs/dbraw/zinc/73/31/27/842733127.db2.gz KSVIFZONDCUZSL-UTCJRWHESA-N 0 0 386.171 3.848 10 0 GHAERN c1nnc([C@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)[nH]1 ZINC000408351805 842740767 /nfs/dbraw/zinc/74/07/67/842740767.db2.gz IWPKDXOABGHNPF-ZDUSSCGKSA-N 0 0 380.521 3.950 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000408367271 842902925 /nfs/dbraw/zinc/90/29/25/842902925.db2.gz UMDQCUXPZQMUGA-NHCUHLMSSA-N 0 0 398.528 3.735 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000247573766 842937544 /nfs/dbraw/zinc/93/75/44/842937544.db2.gz HMRPLUZIQJRENF-HKUYNNGSSA-N 0 0 397.523 3.527 10 0 GHAERN COc1cc2c(cc1CNC(=O)NC1CCC(C(F)(F)F)CC1)O[C@H](C)C2 ZINC000123613421 842942180 /nfs/dbraw/zinc/94/21/80/842942180.db2.gz JVCCRQACOPZUBN-VCANKDNSSA-N 0 0 386.414 3.939 10 0 GHAERN COc1cc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc(OC)c1OC ZINC000162529596 843263477 /nfs/dbraw/zinc/26/34/77/843263477.db2.gz UVEOEULPJFDAJV-YJYMSZOUSA-N 0 0 382.464 3.579 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000162538761 843271089 /nfs/dbraw/zinc/27/10/89/843271089.db2.gz XMUQRXABWJCUAY-UHFFFAOYSA-N 0 0 398.894 3.752 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000162661994 843295040 /nfs/dbraw/zinc/29/50/40/843295040.db2.gz VHJIIUCDCUCYOO-UHFFFAOYSA-N 0 0 398.507 3.707 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C\c2ncccc2C)c(C)c1 ZINC000588452922 843318269 /nfs/dbraw/zinc/31/82/69/843318269.db2.gz FAUSLZNUBBOOFR-QWUACUGRSA-N 0 0 381.501 3.560 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000588455077 843351968 /nfs/dbraw/zinc/35/19/68/843351968.db2.gz BAOZXOMPENAHTG-JTHGQSKGSA-N 0 0 387.277 3.766 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121465885 843374187 /nfs/dbraw/zinc/37/41/87/843374187.db2.gz DKNSTLQNPUEGCT-OAHLLOKOSA-N 0 0 385.892 3.664 10 0 GHAERN C[C@]1(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CCc2ccccc2C1 ZINC000408240646 843526042 /nfs/dbraw/zinc/52/60/42/843526042.db2.gz FCRKDJCJGQIHFD-DEOSSOPVSA-N 0 0 397.563 3.805 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408263284 843653942 /nfs/dbraw/zinc/65/39/42/843653942.db2.gz CHLHUCCPUCCVSO-HLIUYOAVSA-N 0 0 389.462 3.588 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CCOCC1 ZINC000151430263 845205378 /nfs/dbraw/zinc/20/53/78/845205378.db2.gz CCVNPEMDSSWUGK-APWZRJJASA-N 0 0 382.508 3.781 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000151576225 845255076 /nfs/dbraw/zinc/25/50/76/845255076.db2.gz ADFPOSFIOSSDOI-YJBOKZPZSA-N 0 0 381.476 3.807 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 ZINC000248962672 845481356 /nfs/dbraw/zinc/48/13/56/845481356.db2.gz MZXURNJIGAAJKJ-ASNKJTAVSA-N 0 0 394.475 3.586 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000249037946 845493217 /nfs/dbraw/zinc/49/32/17/845493217.db2.gz YBLRICIXOQHVKB-MOPGFXCFSA-N 0 0 380.448 3.836 10 0 GHAERN O=C(COc1ccccc1O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151692426 845506934 /nfs/dbraw/zinc/50/69/34/845506934.db2.gz ZCWDQBCFYHOAEZ-QGZVFWFLSA-N 0 0 377.444 3.567 10 0 GHAERN C[C@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1cccc(Br)c1 ZINC000333021910 845589799 /nfs/dbraw/zinc/58/97/99/845589799.db2.gz JIRXXFKIWRBLSR-NHYWBVRUSA-N 0 0 393.285 3.917 10 0 GHAERN Cc1c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1ccc2ncccc2c1 ZINC000333517213 845655978 /nfs/dbraw/zinc/65/59/78/845655978.db2.gz NCPZLHDSEIXXLH-KTASIVBBSA-N 0 0 387.487 3.632 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000333523698 845707935 /nfs/dbraw/zinc/70/79/35/845707935.db2.gz WOQMFJIYWNJTTQ-MGPUTAFESA-N 0 0 386.492 3.510 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000105004146 845925052 /nfs/dbraw/zinc/92/50/52/845925052.db2.gz VMHONJPPQGARAR-UHFFFAOYSA-N 0 0 380.492 3.691 10 0 GHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329547739 861631069 /nfs/dbraw/zinc/63/10/69/861631069.db2.gz BCLSAOVMSDXBHU-IKGGRYGDSA-N 0 0 376.501 3.560 10 0 GHAERN C[C@H](CCCC(F)(F)F)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588510091 846769102 /nfs/dbraw/zinc/76/91/02/846769102.db2.gz TTWMFXJJXUEHEN-MQGYJPLLSA-N 0 0 379.400 3.736 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C12CCCC2 ZINC000329604350 861751043 /nfs/dbraw/zinc/75/10/43/861751043.db2.gz YWRVJHZUDADFGG-ROUUACIJSA-N 0 0 386.471 3.525 10 0 GHAERN CCCc1nc(CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)no1 ZINC000152445956 847098513 /nfs/dbraw/zinc/09/85/13/847098513.db2.gz SIAPEWFONLABHY-SJCJKPOMSA-N 0 0 380.286 3.747 10 0 GHAERN CCN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@@H](C)Cc1ccsc1 ZINC000588531317 847730966 /nfs/dbraw/zinc/73/09/66/847730966.db2.gz SLEBUBNROSWPEP-XMELGKRDSA-N 0 0 392.546 3.613 10 0 GHAERN O=C(/C=C\c1ccncn1)OCCSCc1ccc(Br)cc1F ZINC000588539001 848025487 /nfs/dbraw/zinc/02/54/87/848025487.db2.gz YUNSTUNMZSUVTH-ARJAWSKDSA-N 0 0 397.269 3.868 10 0 GHAERN Cc1c(Cl)cc(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1Cl ZINC000153039757 848052813 /nfs/dbraw/zinc/05/28/13/848052813.db2.gz HEZGOWUYVPZGLF-UHFFFAOYSA-N 0 0 397.306 3.902 10 0 GHAERN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3ncccc3C)c12 ZINC000588544957 848182911 /nfs/dbraw/zinc/18/29/11/848182911.db2.gz GKBZAVQRBIMKFN-JJEJIETFSA-N 0 0 391.475 3.582 10 0 GHAERN O=C(/C=C\c1ccncn1)Oc1ccc(OC(F)(F)F)c(Br)c1 ZINC000588551311 848453655 /nfs/dbraw/zinc/45/36/55/848453655.db2.gz NXMQNDAPZKWOOC-RJRFIUFISA-N 0 0 389.127 3.757 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000329115959 848610424 /nfs/dbraw/zinc/61/04/24/848610424.db2.gz SYTIQTXRQKDBFP-DLBZAZTESA-N 0 0 387.480 3.697 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000153835281 849053765 /nfs/dbraw/zinc/05/37/65/849053765.db2.gz DOXWBGKGYBYOQL-UHFFFAOYSA-N 0 0 399.539 3.523 10 0 GHAERN CC(C)NC(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000154307834 849249361 /nfs/dbraw/zinc/24/93/61/849249361.db2.gz TWGGEPGGFUNRLL-UHFFFAOYSA-N 0 0 383.467 3.681 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)ccc1OC(C)C ZINC000154796188 849377091 /nfs/dbraw/zinc/37/70/91/849377091.db2.gz WLKTWDDUMFPETH-NCUBBLFSSA-N 0 0 383.492 3.765 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000155031508 849438872 /nfs/dbraw/zinc/43/88/72/849438872.db2.gz RCAPHFVDRXIHQQ-UHFFFAOYSA-N 0 0 383.439 3.982 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H](c2nccs2)C1 ZINC000155586082 849560285 /nfs/dbraw/zinc/56/02/85/849560285.db2.gz OWNHSZPQGOLKHT-CQSZACIVSA-N 0 0 376.551 3.763 10 0 GHAERN COc1ccc(-c2nc(NC(=O)C(C)(C)c3ccccc3F)n[nH]2)c(OC)c1 ZINC000101517049 851633386 /nfs/dbraw/zinc/63/33/86/851633386.db2.gz MGDSJOFOIBLQJM-UHFFFAOYSA-N 0 0 384.411 3.544 10 0 GHAERN COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2F)c(Cl)c1 ZINC000101573018 851701559 /nfs/dbraw/zinc/70/15/59/851701559.db2.gz SPKALHZTNPKGSI-NSHDSACASA-N 0 0 385.844 3.647 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 ZINC000101609456 851728431 /nfs/dbraw/zinc/72/84/31/851728431.db2.gz NNSJWIXNQBJZAE-UHFFFAOYSA-N 0 0 388.487 3.929 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000333872232 851885085 /nfs/dbraw/zinc/88/50/85/851885085.db2.gz USTKXNKWGDIZDO-NXHRZFHOSA-N 0 0 386.492 3.510 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000101776551 851899724 /nfs/dbraw/zinc/89/97/24/851899724.db2.gz ANVZFUFJAGVCJA-UTKZUKDTSA-N 0 0 397.519 3.951 10 0 GHAERN C[C@H]1CN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CCS1 ZINC000171608165 853385490 /nfs/dbraw/zinc/38/54/90/853385490.db2.gz IPIZWDIGFVSDHN-LBPRGKRZSA-N 0 0 383.546 3.969 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C1 ZINC000171645260 853511316 /nfs/dbraw/zinc/51/13/16/853511316.db2.gz TUWFTEGPVUDICI-SJORKVTESA-N 0 0 398.532 3.793 10 0 GHAERN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N1CCCNC(=O)[C@H]1C ZINC000330020994 862513064 /nfs/dbraw/zinc/51/30/64/862513064.db2.gz XBYYOHLEZQFZRZ-GFCCVEGCSA-N 0 0 388.468 3.504 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000330047516 862531585 /nfs/dbraw/zinc/53/15/85/862531585.db2.gz HRRVEVGBIPPPCW-QGZVFWFLSA-N 0 0 392.459 3.546 10 0 GHAERN CO[C@H](C)c1nc(C)c(C(=O)N2CCN[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000328666739 854496974 /nfs/dbraw/zinc/49/69/74/854496974.db2.gz CZZKNSFXHLKWHK-IUODEOHRSA-N 0 0 379.913 3.599 10 0 GHAERN CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCCC2(CCOCC2)C1 ZINC000328694097 854512044 /nfs/dbraw/zinc/51/20/44/854512044.db2.gz JWDCBIKHMLYYAX-IRXDYDNUSA-N 0 0 376.545 3.614 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[nH]1 ZINC000328761923 854532260 /nfs/dbraw/zinc/53/22/60/854532260.db2.gz YKFZSOHOIIZVLJ-JYJNAYRXSA-N 0 0 389.297 3.733 10 0 GHAERN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330113663 862583575 /nfs/dbraw/zinc/58/35/75/862583575.db2.gz DDYGECOSHHRZGA-ARFHVFGLSA-N 0 0 393.516 3.870 10 0 GHAERN CC(C)(C)NC(=O)C[S@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000105675233 855131158 /nfs/dbraw/zinc/13/11/58/855131158.db2.gz ZOEFNGVCHVSEQU-DEOSSOPVSA-N 0 0 384.954 3.551 10 0 GHAERN C[C@H](C(=O)N(C)C1CCCCC1)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685494 855131710 /nfs/dbraw/zinc/13/17/10/855131710.db2.gz AZNJEEUTKYOWEY-LOKFHWFJSA-N 0 0 392.496 3.909 10 0 GHAERN O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182225477 855625905 /nfs/dbraw/zinc/62/59/05/855625905.db2.gz DMJUTBONOFGIDU-ORPJZTTNSA-N 0 0 383.540 3.676 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000192365936 855794788 /nfs/dbraw/zinc/79/47/88/855794788.db2.gz IFTOJICKWXNNBJ-BBWFWOEESA-N 0 0 390.871 3.654 10 0 GHAERN CC1=NN(c2ccc(C(=O)N3CCN([C@@H](C)c4cccc(F)c4)CC3)cc2)CC1 ZINC000104121135 856313000 /nfs/dbraw/zinc/31/30/00/856313000.db2.gz JIRLFPRKBJPDSE-SFHVURJKSA-N 0 0 394.494 3.931 10 0 GHAERN CN[C@]12C(=O)N(C3CCCCC3)C[C@@]1(Cc1ccccc1)c1ccccc1N2C ZINC000048520849 856467328 /nfs/dbraw/zinc/46/73/28/856467328.db2.gz JLKYNRTWWRVALD-DQEYMECFSA-N 0 0 389.543 3.708 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c12 ZINC000046489583 856863324 /nfs/dbraw/zinc/86/33/24/856863324.db2.gz FTHRNHNTITZORH-MOPGFXCFSA-N 0 0 377.444 3.982 10 0 GHAERN Cn1cncc1[C@@H]1C[C@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189152 857200433 /nfs/dbraw/zinc/20/04/33/857200433.db2.gz RVUSQSPYUGSIIL-CJNGLKHVSA-N 0 0 389.525 3.577 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)NC(=O)CO2 ZINC000129889278 858152770 /nfs/dbraw/zinc/15/27/70/858152770.db2.gz PVDIEHUOUKGKJB-QGZVFWFLSA-N 0 0 378.428 3.584 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000130021567 858600766 /nfs/dbraw/zinc/60/07/66/858600766.db2.gz CALWZTIGQYRSJA-MJGOQNOKSA-N 0 0 384.520 3.978 10 0 GHAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272322597 859612673 /nfs/dbraw/zinc/61/26/73/859612673.db2.gz ISWOOUMZAWVNQB-ROUUACIJSA-N 0 0 395.507 3.602 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000164641617 859966598 /nfs/dbraw/zinc/96/65/98/859966598.db2.gz HOYMSPCHIRPBJI-ZUOKHONESA-N 0 0 391.418 3.995 10 0 GHAERN O=C(c1n[nH]c(=O)c2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024383567 860322673 /nfs/dbraw/zinc/32/26/73/860322673.db2.gz YSDXJOHXQJMGLH-INIZCTEOSA-N 0 0 390.468 3.900 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC3(c4ccccc4)CCCC3)C2)no1 ZINC000170887594 860420966 /nfs/dbraw/zinc/42/09/66/860420966.db2.gz CXWJSHXNKSNNDR-SFHVURJKSA-N 0 0 382.508 3.854 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2)no1 ZINC000171244443 860423790 /nfs/dbraw/zinc/42/37/90/860423790.db2.gz ZDLFTESILPWPNG-DGCLKSJQSA-N 0 0 398.290 3.933 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)C2)n1 ZINC000173070871 860435891 /nfs/dbraw/zinc/43/58/91/860435891.db2.gz PDJVKOWQVMORTF-GCJKJVERSA-N 0 0 397.544 3.852 10 0 GHAERN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N(C)C[C@@H]3CCCO3)c2)c1 ZINC000102904286 860619788 /nfs/dbraw/zinc/61/97/88/860619788.db2.gz RGQOGESVDHXAOB-FQEVSTJZSA-N 0 0 396.491 3.959 10 0 GHAERN CCn1cc(C2CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cn1 ZINC000159259687 860623887 /nfs/dbraw/zinc/62/38/87/860623887.db2.gz NQWAJKRWKJZQOL-UHFFFAOYSA-N 0 0 394.349 3.840 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N[C@H](C)c3ccc(F)cc3F)C2)c1 ZINC000102545646 860761643 /nfs/dbraw/zinc/76/16/43/860761643.db2.gz LHLVEUCUHRPRCK-HUUCEWRRSA-N 0 0 389.446 3.860 10 0 GHAERN Cc1cc(C(=O)CN2CCC(C(=O)N(C)C)CC2)c(C)n1CCC1=CCCCC1 ZINC000102683369 860838145 /nfs/dbraw/zinc/83/81/45/860838145.db2.gz NLXOKFNFOBHBFH-UHFFFAOYSA-N 0 0 399.579 3.978 10 0 GHAERN COC[C@@H](C)n1c(SCC(=O)N2CCCC2(C)C)nnc1-c1ccccc1 ZINC000102918415 860901200 /nfs/dbraw/zinc/90/12/00/860901200.db2.gz PAAKIZKAVUEMKB-OAHLLOKOSA-N 0 0 388.537 3.646 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@@H]1CCOc3ccccc31)CC2 ZINC000176895859 863258957 /nfs/dbraw/zinc/25/89/57/863258957.db2.gz WTYXTMAEZBHSTR-MLGOLLRUSA-N 0 0 391.393 3.549 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCCCn3cnc4ccccc43)c21 ZINC000103176707 863900490 /nfs/dbraw/zinc/90/04/90/863900490.db2.gz HPHFHWUOLMBNAL-UHFFFAOYSA-N 0 0 375.476 3.758 10 0 GHAERN COc1ccc2c(CC(=O)Nc3cnc(-c4cccc(O)c4)nc3)coc2c1 ZINC000103273805 863936976 /nfs/dbraw/zinc/93/69/76/863936976.db2.gz ZZMIKDOWKARVPP-UHFFFAOYSA-N 0 0 375.384 3.785 10 0 GHAERN CCc1cccc(CC)c1NC(=O)CSc1nncn1-c1ccc(OC)nc1 ZINC000103353105 863970120 /nfs/dbraw/zinc/97/01/20/863970120.db2.gz VQBBFNRIMWRULY-UHFFFAOYSA-N 0 0 397.504 3.527 10 0 GHAERN CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103759332 864084660 /nfs/dbraw/zinc/08/46/60/864084660.db2.gz UJZPWIVQDSJAHZ-CYBMUJFWSA-N 0 0 385.855 3.594 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccc(Cn2nc(C)cc2C)c1 ZINC000104460869 864325986 /nfs/dbraw/zinc/32/59/86/864325986.db2.gz RRJRHBQEQGMZHK-UHFFFAOYSA-N 0 0 377.488 3.872 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000104680698 864541845 /nfs/dbraw/zinc/54/18/45/864541845.db2.gz NWGLEVMCGXCPRB-CYBMUJFWSA-N 0 0 385.321 3.961 10 0 GHAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)Nc1nc(-c2ccccn2)cs1 ZINC000104828448 864669364 /nfs/dbraw/zinc/66/93/64/864669364.db2.gz ABLFYHZHUOPKGI-UHFFFAOYSA-N 0 0 378.457 3.661 10 0 GHAERN CCc1cc(=O)[nH]c(-c2ccc(NCc3nnc(-c4ccccc4)s3)nc2)n1 ZINC000301642760 865472961 /nfs/dbraw/zinc/47/29/61/865472961.db2.gz MTTBQDIAMYTGOR-UHFFFAOYSA-N 0 0 390.472 3.937 10 0 GHAERN O=c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)[nH]c2sc3c(c21)CCC3 ZINC000102929054 865762549 /nfs/dbraw/zinc/76/25/49/865762549.db2.gz KRDZJKPEQFUGPH-AWEZNQCLSA-N 0 0 395.484 3.539 10 0 GHAERN CC(C)(C)c1nnc2ccc(N3CCC(c4nc(C(F)(F)F)c[nH]4)CC3)nn21 ZINC000302588445 865852940 /nfs/dbraw/zinc/85/29/40/865852940.db2.gz VMDVLWAQBRGLEJ-UHFFFAOYSA-N 0 0 393.417 3.548 10 0 GHAERN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000111827853 866706545 /nfs/dbraw/zinc/70/65/45/866706545.db2.gz KTUDPQFXSQWQFV-KRWDZBQOSA-N 0 0 389.496 3.877 10 0 GHAERN O=S(=O)(Cc1ccccc1C(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000114741251 866770328 /nfs/dbraw/zinc/77/03/28/866770328.db2.gz FRBKMWWLKNNYEE-GFCCVEGCSA-N 0 0 390.452 3.871 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000170669670 882045367 /nfs/dbraw/zinc/04/53/67/882045367.db2.gz HYUMFEQBGRULBK-KRWDZBQOSA-N 0 0 379.464 3.677 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170673108 882046490 /nfs/dbraw/zinc/04/64/90/882046490.db2.gz NHTUPXVKHXHQGI-LQYUOIDQSA-N 0 0 375.904 3.643 10 0 GHAERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151284920 867251806 /nfs/dbraw/zinc/25/18/06/867251806.db2.gz BWXZLEASQDLSNJ-VBKZILBWSA-N 0 0 378.538 3.808 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)Nc1nc2c(s1)COCC2 ZINC000171019783 882106980 /nfs/dbraw/zinc/10/69/80/882106980.db2.gz RKTDTDNIGOTSBZ-RMKNXTFCSA-N 0 0 393.468 3.842 10 0 GHAERN O=C(Oc1ccccc1OC(F)F)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171666356 882122071 /nfs/dbraw/zinc/12/20/71/882122071.db2.gz YIAWXELVIKSUPK-UHFFFAOYSA-N 0 0 393.361 3.885 10 0 GHAERN O=C(N[C@@H]1CCc2ncnn2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000173694560 868016074 /nfs/dbraw/zinc/01/60/74/868016074.db2.gz DCLFXDAVVHDJEU-MRXNPFEDSA-N 0 0 392.425 3.630 10 0 GHAERN O=C(Nc1cnn(-c2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172641212 882282531 /nfs/dbraw/zinc/28/25/31/882282531.db2.gz AEBYWRWZCQVNIG-UHFFFAOYSA-N 0 0 395.507 3.519 10 0 GHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535456 882294595 /nfs/dbraw/zinc/29/45/95/882294595.db2.gz NRHOLWQUGPQLFG-GFCCVEGCSA-N 0 0 384.823 3.548 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000172784693 882306633 /nfs/dbraw/zinc/30/66/33/882306633.db2.gz CWMNDUJXIUMDBM-FQEVSTJZSA-N 0 0 379.504 3.837 10 0 GHAERN C[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1cccs1 ZINC000172800554 882308724 /nfs/dbraw/zinc/30/87/24/882308724.db2.gz VXUDLPZMFQPKLV-HNNXBMFYSA-N 0 0 388.508 3.734 10 0 GHAERN CCNC(=O)c1ccc(C)c(NCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1 ZINC000172877946 882316092 /nfs/dbraw/zinc/31/60/92/882316092.db2.gz BBEULKZATAYDFO-NRFANRHFSA-N 0 0 395.503 3.529 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1Cl ZINC000173073067 882319493 /nfs/dbraw/zinc/31/94/93/882319493.db2.gz LXFUTGXEWDIMDC-CYBMUJFWSA-N 0 0 389.858 3.604 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@](=O)Cc2cccc(Cl)c2)cc1 ZINC000173158584 882335222 /nfs/dbraw/zinc/33/52/22/882335222.db2.gz SOHNOTCHOWZJGP-AFMDSPMNSA-N 0 0 391.920 3.961 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)C1 ZINC000189451293 869777984 /nfs/dbraw/zinc/77/79/84/869777984.db2.gz CZFISJOQQIDEJF-DOTOQJQBSA-N 0 0 397.435 3.644 10 0 GHAERN CCC[C@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173245813 882343246 /nfs/dbraw/zinc/34/32/46/882343246.db2.gz CVNSUUSPPQZLGK-OAQYLSRUSA-N 0 0 393.531 3.852 10 0 GHAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187660376 870258637 /nfs/dbraw/zinc/25/86/37/870258637.db2.gz MDTSWCZYWNHJTI-RTBURBONSA-N 0 0 392.927 3.512 10 0 GHAERN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(N2CCCC2)ccn1 ZINC000189382266 870299014 /nfs/dbraw/zinc/29/90/14/870299014.db2.gz PQQICKDRIATMEZ-PKOBYXMFSA-N 0 0 389.858 3.734 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000190043928 870317296 /nfs/dbraw/zinc/31/72/96/870317296.db2.gz JTKRXTWBSUGKOV-MOPGFXCFSA-N 0 0 385.464 3.692 10 0 GHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000173803709 882406202 /nfs/dbraw/zinc/40/62/02/882406202.db2.gz XFGNGGFPODHDQB-QAPCUYQASA-N 0 0 394.479 3.501 10 0 GHAERN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000046494692 870435576 /nfs/dbraw/zinc/43/55/76/870435576.db2.gz HIEHIMREDUCSAO-RTWAWAEBSA-N 0 0 392.503 3.602 10 0 GHAERN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN1CCC(n2cncn2)CC1 ZINC000092647843 882409817 /nfs/dbraw/zinc/40/98/17/882409817.db2.gz LHVDTNYBPFXKIP-UHFFFAOYSA-N 0 0 391.306 3.916 10 0 GHAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000194988036 870534033 /nfs/dbraw/zinc/53/40/33/870534033.db2.gz CWFPOHYWDOGPOJ-JSGCOSHPSA-N 0 0 389.393 3.905 10 0 GHAERN O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114810837 870633340 /nfs/dbraw/zinc/63/33/40/870633340.db2.gz GUQLKONRVGCUNQ-OAHLLOKOSA-N 0 0 386.477 3.507 10 0 GHAERN COc1ccc(COCCCNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114828683 870771034 /nfs/dbraw/zinc/77/10/34/870771034.db2.gz QSPCMUVQUPUDNP-QGZVFWFLSA-N 0 0 389.521 3.648 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccccc1OC1CCCC1)CC2 ZINC000152394319 882467269 /nfs/dbraw/zinc/46/72/69/882467269.db2.gz ALWCBTNFEGXDDA-HNNXBMFYSA-N 0 0 383.496 3.859 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(OC(F)F)cc3)CC2)nc1 ZINC000174494579 882472040 /nfs/dbraw/zinc/47/20/40/882472040.db2.gz HMVQQHOCNYLCSL-UHFFFAOYSA-N 0 0 376.407 3.782 10 0 GHAERN Cc1cc(C(=O)NC2CCN(Cc3c(C)nc4sc(C)cn34)CC2)c(C)o1 ZINC000093009560 882476503 /nfs/dbraw/zinc/47/65/03/882476503.db2.gz GADAJKHNOIVGNJ-UHFFFAOYSA-N 0 0 386.521 3.617 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000103045100 871139155 /nfs/dbraw/zinc/13/91/55/871139155.db2.gz RVZDFAORHOSHNU-FOIQADDNSA-N 0 0 392.455 3.736 10 0 GHAERN COc1ccc2c(CC(=O)Oc3ccc(C(=O)N4CCCC4)cc3)coc2c1 ZINC000103046530 871140776 /nfs/dbraw/zinc/14/07/76/871140776.db2.gz KABSTOVDEBSUDV-UHFFFAOYSA-N 0 0 379.412 3.826 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174719832 882496528 /nfs/dbraw/zinc/49/65/28/882496528.db2.gz ZUTCLKJWSSWRET-UHFFFAOYSA-N 0 0 398.482 3.613 10 0 GHAERN Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)C[C@H](C)O2 ZINC000175054247 882520441 /nfs/dbraw/zinc/52/04/41/882520441.db2.gz HQVDNSASQFESEH-INIZCTEOSA-N 0 0 396.462 3.800 10 0 GHAERN CCOC(=O)N[C@H](CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)CC(C)C ZINC000103307619 871671521 /nfs/dbraw/zinc/67/15/21/871671521.db2.gz AKJQBFZBQYJYFF-PMACEKPBSA-N 0 0 398.507 3.631 10 0 GHAERN CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c2ccccc2C1 ZINC000103411514 871908801 /nfs/dbraw/zinc/90/88/01/871908801.db2.gz NPDZIHVPFQYKJQ-UHFFFAOYSA-N 0 0 395.503 3.804 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000103444201 871998629 /nfs/dbraw/zinc/99/86/29/871998629.db2.gz QAZPMYDASMVXMO-UHFFFAOYSA-N 0 0 397.313 3.512 10 0 GHAERN C[C@]1(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCc2ccccc21 ZINC000101516345 872050138 /nfs/dbraw/zinc/05/01/38/872050138.db2.gz LGSSUTXENPPSLJ-DEOSSOPVSA-N 0 0 391.515 3.621 10 0 GHAERN COC[C@@H](NC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccc(C)o1 ZINC000175695855 882573602 /nfs/dbraw/zinc/57/36/02/882573602.db2.gz MUCXHDDNAICMEU-GOSISDBHSA-N 0 0 375.444 3.701 10 0 GHAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175569985 882599218 /nfs/dbraw/zinc/59/92/18/882599218.db2.gz KDHJKNVNHLEDGY-SJLPKXTDSA-N 0 0 384.524 3.763 10 0 GHAERN CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000175881344 882610021 /nfs/dbraw/zinc/61/00/21/882610021.db2.gz BLRMCIGUKIVPIH-RTBURBONSA-N 0 0 395.613 3.875 10 0 GHAERN CCOc1ccc(CC(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102143545 872640728 /nfs/dbraw/zinc/64/07/28/872640728.db2.gz SCWCGMVSBQASBE-SFHVURJKSA-N 0 0 385.460 3.625 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1C(=O)NC(C)C ZINC000175847947 882638945 /nfs/dbraw/zinc/63/89/45/882638945.db2.gz ZKHZLVDQKNAKLQ-MOPGFXCFSA-N 0 0 383.496 3.635 10 0 GHAERN CCCCOCCNC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000176346150 882681216 /nfs/dbraw/zinc/68/12/16/882681216.db2.gz ZDSCMTDHNVHUDH-UHFFFAOYSA-N 0 0 396.875 3.517 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176433939 882692945 /nfs/dbraw/zinc/69/29/45/882692945.db2.gz ATOSLJJMIBMBJC-JXOMPUQVSA-N 0 0 387.487 3.930 10 0 GHAERN CC(C)(C)c1ncsc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000176445061 882693121 /nfs/dbraw/zinc/69/31/21/882693121.db2.gz HJMHTCIASOHJJT-UHFFFAOYSA-N 0 0 377.554 3.695 10 0 GHAERN CCCOc1nc2ccccc2cc1/C=C/C(=O)NCCCc1cnn(C)c1 ZINC000102624294 873338108 /nfs/dbraw/zinc/33/81/08/873338108.db2.gz UEDGEUQCBILMCY-ZHACJKMWSA-N 0 0 378.476 3.519 10 0 GHAERN Cc1cc(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(C)s1 ZINC000116246617 873368374 /nfs/dbraw/zinc/36/83/74/873368374.db2.gz QKQKLKUQOXUBKF-YWZLYKJASA-N 0 0 399.560 3.750 10 0 GHAERN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161564100 873378967 /nfs/dbraw/zinc/37/89/67/873378967.db2.gz MIMIQEGJHDAXLQ-PMACEKPBSA-N 0 0 375.557 3.826 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000176808145 882738149 /nfs/dbraw/zinc/73/81/49/882738149.db2.gz KZJIVPKLGWWOGB-SFHVURJKSA-N 0 0 390.443 3.734 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)n1 ZINC000116666593 873614867 /nfs/dbraw/zinc/61/48/67/873614867.db2.gz NCNHDVRALXNCFU-IFMALSPDSA-N 0 0 379.504 3.643 10 0 GHAERN COc1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)ccc1OC(C)C ZINC000116836534 873726238 /nfs/dbraw/zinc/72/62/38/873726238.db2.gz WAHSGERLUZHWOJ-UHFFFAOYSA-N 0 0 383.492 3.585 10 0 GHAERN CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000004308530 874217192 /nfs/dbraw/zinc/21/71/92/874217192.db2.gz PXERGDOTCXKICT-QFIPXVFZSA-N 0 0 397.450 3.745 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117856339 874226107 /nfs/dbraw/zinc/22/61/07/874226107.db2.gz CXULQWOOPVJZFH-UHFFFAOYSA-N 0 0 390.530 3.829 10 0 GHAERN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177506205 882808580 /nfs/dbraw/zinc/80/85/80/882808580.db2.gz VCDNIFZUQCACAA-LLVKDONJSA-N 0 0 383.395 3.507 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CC=C(c2cccs2)CC1 ZINC000118012905 874317245 /nfs/dbraw/zinc/31/72/45/874317245.db2.gz PNQNLYVNUIKIEM-UHFFFAOYSA-N 0 0 397.500 3.542 10 0 GHAERN COc1ccccc1CCN(C)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000104653691 874610341 /nfs/dbraw/zinc/61/03/41/874610341.db2.gz MZMHBICXQLNPPK-UHFFFAOYSA-N 0 0 395.532 3.952 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ncncc1Cl ZINC000178020261 882857615 /nfs/dbraw/zinc/85/76/15/882857615.db2.gz FREPOOOFRAMEQK-ZDUSSCGKSA-N 0 0 382.295 3.922 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 ZINC000178432385 882914032 /nfs/dbraw/zinc/91/40/32/882914032.db2.gz MZTLANOXNFZTTC-UHFFFAOYSA-N 0 0 396.491 3.948 10 0 GHAERN CO[C@H]1CCC[C@@H]1OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000120065926 875434613 /nfs/dbraw/zinc/43/46/13/875434613.db2.gz ISOXNZRNTAENOT-SFTDATJTSA-N 0 0 381.472 3.803 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cc3ccccc3c(Cl)n2)CC1 ZINC000178670379 882929774 /nfs/dbraw/zinc/92/97/74/882929774.db2.gz YXACDIYZIHKWDN-UHFFFAOYSA-N 0 0 399.903 3.938 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179046094 882948734 /nfs/dbraw/zinc/94/87/34/882948734.db2.gz SNGSIRQBKVBKOQ-UHFFFAOYSA-N 0 0 385.370 3.702 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000179044784 882948855 /nfs/dbraw/zinc/94/88/55/882948855.db2.gz WKPZBVLQIATBCF-UHFFFAOYSA-N 0 0 397.906 3.957 10 0 GHAERN CC(C)Oc1cccc(CN(C)C(=O)NCC[C@H]2c3ccccc3NC2=O)c1 ZINC000178889200 882961254 /nfs/dbraw/zinc/96/12/54/882961254.db2.gz IPODLOAGVYGGIW-IBGZPJMESA-N 0 0 381.476 3.741 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2ncc(Br)s2)c2ccccc2)[nH]1 ZINC000179223156 882981991 /nfs/dbraw/zinc/98/19/91/882981991.db2.gz BWQQQJXFLVOPEI-RNCFNFMXSA-N 0 0 378.299 3.772 10 0 GHAERN CSc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1F ZINC000179647790 883016845 /nfs/dbraw/zinc/01/68/45/883016845.db2.gz XHHXFRRUZPQZKU-UHFFFAOYSA-N 0 0 378.513 3.802 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000179929247 883039367 /nfs/dbraw/zinc/03/93/67/883039367.db2.gz CVYNOZKBRCGSBD-FGTMMUONSA-N 0 0 392.862 3.589 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)cc1 ZINC000121229419 876667281 /nfs/dbraw/zinc/66/72/81/876667281.db2.gz BKBHLPCZKONTHF-AKCHCHLHSA-N 0 0 396.512 3.903 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4ncn(C)n4)cc3)C2)cc1 ZINC000180225642 883068336 /nfs/dbraw/zinc/06/83/36/883068336.db2.gz JUVABTGQHPDKKT-BEFAXECRSA-N 0 0 376.460 3.509 10 0 GHAERN Cc1nnc([C@@H](NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000180242794 883070161 /nfs/dbraw/zinc/07/01/61/883070161.db2.gz QPNJBYIEULUMFA-YJYMSZOUSA-N 0 0 396.878 3.881 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180712415 883094972 /nfs/dbraw/zinc/09/49/72/883094972.db2.gz QEIQCVAMQYCPDQ-OZSKJFCKSA-N 0 0 379.382 3.535 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122463817 878925474 /nfs/dbraw/zinc/92/54/74/878925474.db2.gz BHKFXQSRNRZRDU-DLBZAZTESA-N 0 0 394.441 3.558 10 0 GHAERN Cc1c(C(=O)N(C)Cc2ccc(Cl)nc2)nnn1-c1ccccc1Cl ZINC000103520054 881267869 /nfs/dbraw/zinc/26/78/69/881267869.db2.gz DRKNYEAOHLSUSZ-UHFFFAOYSA-N 0 0 376.247 3.550 10 0 GHAERN O=C(Nc1ncccc1-c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000181438356 883180347 /nfs/dbraw/zinc/18/03/47/883180347.db2.gz HCWOXZAVUFGUPX-UHFFFAOYSA-N 0 0 386.455 3.635 10 0 GHAERN O=C([C@H]1C[C@@H]1c1cccc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000181930094 883193630 /nfs/dbraw/zinc/19/36/30/883193630.db2.gz DCOLDSJQJIJOEO-YADHBBJMSA-N 0 0 389.499 3.538 10 0 GHAERN C[C@]12CC3CC(C(=O)N4CCC(c5ccnn5CCO)CC4)(C1)C[C@@](C)(C3)C2 ZINC000181929042 883193917 /nfs/dbraw/zinc/19/39/17/883193917.db2.gz OYGKMBKJVXUDAH-SVIALIIXSA-N 0 0 385.552 3.578 10 0 GHAERN CCc1nc(CCNC(=O)NCc2cc(F)cc(Br)c2)cs1 ZINC000102446342 883217695 /nfs/dbraw/zinc/21/76/95/883217695.db2.gz RHAJWIXARYRSMB-UHFFFAOYSA-N 0 0 386.290 3.649 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)[C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)CCO2)o1 ZINC000182379267 883219026 /nfs/dbraw/zinc/21/90/26/883219026.db2.gz AKHPIDQLVFEXPP-LRDDRELGSA-N 0 0 399.413 3.667 10 0 GHAERN CCC(CC)n1nc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000182950887 883251020 /nfs/dbraw/zinc/25/10/20/883251020.db2.gz PDIFAMLDILGUGW-UHFFFAOYSA-N 0 0 388.556 3.807 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183218229 883272273 /nfs/dbraw/zinc/27/22/73/883272273.db2.gz KPYNENZIWGNJTP-YTQUADARSA-N 0 0 399.878 3.595 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021245 883298992 /nfs/dbraw/zinc/29/89/92/883298992.db2.gz LUMDMXBVLKEZEA-UNMCSNQZSA-N 0 0 397.494 3.940 10 0 GHAERN CCOc1cccc(CNC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184030254 883301393 /nfs/dbraw/zinc/30/13/93/883301393.db2.gz QXPOMENFYBBQDJ-OAQYLSRUSA-N 0 0 399.466 3.517 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCSC[C@H]2c2nccs2)ccc1OC ZINC000184160579 883326216 /nfs/dbraw/zinc/32/62/16/883326216.db2.gz BTIAEGBGWMIXCD-ZKKXHLJNSA-N 0 0 390.530 3.880 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H](c3nc(C)no3)C2)c1C ZINC000184052546 883330634 /nfs/dbraw/zinc/33/06/34/883330634.db2.gz ZHRWUXUSFYYRFA-LBPRGKRZSA-N 0 0 392.843 3.538 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1C ZINC000184052698 883331157 /nfs/dbraw/zinc/33/11/57/883331157.db2.gz ZLBIBNCBENMPCO-HNNXBMFYSA-N 0 0 376.844 3.538 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)/C=C/c2ccc3ccccc3c2)CC1 ZINC000184746678 883365665 /nfs/dbraw/zinc/36/56/65/883365665.db2.gz POJMIYUUOWHQQV-FGBWHXJSSA-N 0 0 375.472 3.559 10 0 GHAERN C[C@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000184807024 883383099 /nfs/dbraw/zinc/38/30/99/883383099.db2.gz GKVGYLRKZLDEFO-BLLLJJGKSA-N 0 0 395.431 3.693 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000184857427 883387061 /nfs/dbraw/zinc/38/70/61/883387061.db2.gz FIJSGZXIAMQYLU-IFXJQAMLSA-N 0 0 386.448 3.545 10 0 GHAERN Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc1C ZINC000185064705 883416480 /nfs/dbraw/zinc/41/64/80/883416480.db2.gz WSWYDUCTUVTYEO-GOSISDBHSA-N 0 0 375.476 3.812 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cnc(Cl)cc2C)c2ccc(F)cc2C1 ZINC000185457009 883458178 /nfs/dbraw/zinc/45/81/78/883458178.db2.gz WOWOJOVLTVGWTG-MRXNPFEDSA-N 0 0 390.846 3.798 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cccc(OC(F)F)c3)C2)c1 ZINC000102529394 883516284 /nfs/dbraw/zinc/51/62/84/883516284.db2.gz HNLBRKQKZBKVED-AWEZNQCLSA-N 0 0 391.418 3.945 10 0 GHAERN COCc1c(C(=O)N2CCC(Cc3ccccn3)CC2)cnn1-c1ccccc1 ZINC000185503128 883546458 /nfs/dbraw/zinc/54/64/58/883546458.db2.gz ZORVTLPDBNOEMN-UHFFFAOYSA-N 0 0 390.487 3.509 10 0 GHAERN COc1ccc([C@@H](C)CC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185514186 883548767 /nfs/dbraw/zinc/54/87/67/883548767.db2.gz JXNVYTKZTMHAFO-NYHFZMIOSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCO[C@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185522379 883550405 /nfs/dbraw/zinc/55/04/05/883550405.db2.gz OWNMSSCADADNTG-FOIQADDNSA-N 0 0 378.488 3.577 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCSC[C@H]1c1nccs1 ZINC000185533586 883551439 /nfs/dbraw/zinc/55/14/39/883551439.db2.gz REBXAVVHZZCCRI-AWEZNQCLSA-N 0 0 394.591 3.673 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000185533455 883551470 /nfs/dbraw/zinc/55/14/70/883551470.db2.gz QFPIXQSNFSRAJW-NRFANRHFSA-N 0 0 383.517 3.558 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2Cc3ccccc3C3(CC3)C2)c2ccccc2F)no1 ZINC000185697810 883573849 /nfs/dbraw/zinc/57/38/49/883573849.db2.gz MJBBFXCQBFSFQT-IBGZPJMESA-N 0 0 392.434 3.864 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)n1 ZINC000185865813 883596215 /nfs/dbraw/zinc/59/62/15/883596215.db2.gz WFXIKIWJNCXWHX-UHFFFAOYSA-N 0 0 377.395 3.706 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2c(C)noc2C2CC2)c2ccc(F)cc2C1 ZINC000185882187 883598659 /nfs/dbraw/zinc/59/86/59/883598659.db2.gz ZHUNVMPYXYCGKP-KRWDZBQOSA-N 0 0 386.427 3.615 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(COC(C)(C)C)on3)C2)c1 ZINC000186285898 883636027 /nfs/dbraw/zinc/63/60/27/883636027.db2.gz TUBBLEOGVUIGEP-CQSZACIVSA-N 0 0 388.464 3.637 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000186368118 883651881 /nfs/dbraw/zinc/65/18/81/883651881.db2.gz MKVYICVBQDSYRL-UHFFFAOYSA-N 0 0 396.760 3.656 10 0 GHAERN CC[C@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)Oc1ccccc1F ZINC000186580128 883665834 /nfs/dbraw/zinc/66/58/34/883665834.db2.gz DIYUQHZYAZXADV-OAHLLOKOSA-N 0 0 386.427 3.782 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)ccc2NC1=O ZINC000186612987 883675189 /nfs/dbraw/zinc/67/51/89/883675189.db2.gz MSXHHOJHEVTPOQ-FQEVSTJZSA-N 0 0 387.443 3.970 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)ccc2NC1=O ZINC000186633859 883679361 /nfs/dbraw/zinc/67/93/61/883679361.db2.gz JVEUTTNQAYIULR-OALUTQOASA-N 0 0 380.448 3.706 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)ccc2NC1=O ZINC000186644341 883680349 /nfs/dbraw/zinc/68/03/49/883680349.db2.gz BRMSRSXXTPSUSI-MRXNPFEDSA-N 0 0 386.839 3.963 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)ccc2NC1=O ZINC000186702708 883693756 /nfs/dbraw/zinc/69/37/56/883693756.db2.gz AJTBWVIIRMBZNI-FOIQADDNSA-N 0 0 394.475 3.953 10 0 GHAERN COc1cc(C)c(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000186731112 883697449 /nfs/dbraw/zinc/69/74/49/883697449.db2.gz WEUWAFUVZXTQBI-CQSZACIVSA-N 0 0 383.427 3.597 10 0 GHAERN Cc1c(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cccc1-c1ccccn1 ZINC000186761734 883700180 /nfs/dbraw/zinc/70/01/80/883700180.db2.gz DPJCTPWBALZLBU-UHFFFAOYSA-N 0 0 391.475 3.526 10 0 GHAERN O=C(NCCCCCc1ccc(F)cc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000186924935 883717260 /nfs/dbraw/zinc/71/72/60/883717260.db2.gz HNNOYMWQBFBTOU-UHFFFAOYSA-N 0 0 397.494 3.602 10 0 GHAERN CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1Cl ZINC000188462990 883851845 /nfs/dbraw/zinc/85/18/45/883851845.db2.gz IHSGNEPUSGITSE-CRAIPNDOSA-N 0 0 375.900 3.783 10 0 GHAERN CC(C)c1ccc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000188462920 883852045 /nfs/dbraw/zinc/85/20/45/883852045.db2.gz IHSGNEPUSGITSE-YJBOKZPZSA-N 0 0 375.900 3.783 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(Br)s1)[C@H]2C ZINC000188710533 883863025 /nfs/dbraw/zinc/86/30/25/883863025.db2.gz ZKONALDYSIJJHX-ZRQQLDRUSA-N 0 0 395.326 3.842 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1OC(F)F)[C@H]2C ZINC000188730052 883864294 /nfs/dbraw/zinc/86/42/94/883864294.db2.gz YPWHJFOOBAHJBL-XEHSLEBBSA-N 0 0 376.407 3.620 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(Br)cc1)[C@@H]2C ZINC000188776600 883871951 /nfs/dbraw/zinc/87/19/51/883871951.db2.gz WEYLTAHEFJWSQU-YSKGHYERSA-N 0 0 389.297 3.781 10 0 GHAERN O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC(Nc2nccs2)CC1 ZINC000189120836 883921250 /nfs/dbraw/zinc/92/12/50/883921250.db2.gz QNIYANQJUZJUPN-UHFFFAOYSA-N 0 0 380.477 3.709 10 0 GHAERN CC(C)CC(=O)N1CCC(CS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000189363231 883940273 /nfs/dbraw/zinc/94/02/73/883940273.db2.gz JJQSTWCQSYMBAN-UHFFFAOYSA-N 0 0 391.455 3.764 10 0 GHAERN CO[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(F)cc1 ZINC000189392020 883942689 /nfs/dbraw/zinc/94/26/89/883942689.db2.gz BLNMRXVCCQVKKH-FQEVSTJZSA-N 0 0 384.451 3.791 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1Br ZINC000189489862 883947581 /nfs/dbraw/zinc/94/75/81/883947581.db2.gz QBPMMZRBNWKKJL-AWEZNQCLSA-N 0 0 393.285 3.741 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000189678209 883984889 /nfs/dbraw/zinc/98/48/89/883984889.db2.gz LCGOYXVFRGMDMG-HNNXBMFYSA-N 0 0 396.491 3.920 10 0 GHAERN CCc1c(C(=O)N2CC3(CCOCC3)c3ccccc32)cnn1-c1ccccn1 ZINC000189836708 884015840 /nfs/dbraw/zinc/01/58/40/884015840.db2.gz WZZMJTSCABNXJC-UHFFFAOYSA-N 0 0 388.471 3.538 10 0 GHAERN Cc1cc(C)n(-c2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cn2)n1 ZINC000189856153 884017737 /nfs/dbraw/zinc/01/77/37/884017737.db2.gz BDGGTCFDYCPWQW-UHFFFAOYSA-N 0 0 388.471 3.593 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000190080030 884035706 /nfs/dbraw/zinc/03/57/06/884035706.db2.gz XZWVPDREPDFLSN-QZTJIDSGSA-N 0 0 398.850 3.696 10 0 GHAERN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190289693 884064640 /nfs/dbraw/zinc/06/46/40/884064640.db2.gz JKNSTOYGTOJQMN-JTQLQIEISA-N 0 0 386.320 3.692 10 0 GHAERN O=C(c1ccnc(OCc2ccccc2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190393324 884075464 /nfs/dbraw/zinc/07/54/64/884075464.db2.gz UZJKIDBNNMAEBW-UHFFFAOYSA-N 0 0 394.500 3.834 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)nn1-c1ccc(C)cc1 ZINC000190408879 884077941 /nfs/dbraw/zinc/07/79/41/884077941.db2.gz WSYDXQHUUORWDW-UHFFFAOYSA-N 0 0 381.505 3.662 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NCc1cccc(-c3ccccn3)c1)[C@@H]2C ZINC000190983031 884135204 /nfs/dbraw/zinc/13/52/04/884135204.db2.gz YQHCBHRYGMHDDX-MRXNPFEDSA-N 0 0 390.491 3.750 10 0 GHAERN CCn1cnc2c(c1=O)CCN(C(=O)/C=C/c1sc3ccccc3c1Cl)C2 ZINC000192042058 884231698 /nfs/dbraw/zinc/23/16/98/884231698.db2.gz VVOZTFMUPCRTGR-BQYQJAHWSA-N 0 0 399.903 3.729 10 0 GHAERN CCOC(=O)c1cn(C)nc1NC(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000192254361 884245529 /nfs/dbraw/zinc/24/55/29/884245529.db2.gz LXVLLHCHINJYSN-UHFFFAOYSA-N 0 0 396.451 3.550 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000192678826 884287222 /nfs/dbraw/zinc/28/72/22/884287222.db2.gz MATTXQTYBWVYTC-JCVNQNCUSA-N 0 0 395.402 3.754 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCSc2ccc(F)cc21 ZINC000193260216 884334751 /nfs/dbraw/zinc/33/47/51/884334751.db2.gz RIVRTGNRYSCJCO-PBHICJAKSA-N 0 0 385.464 3.788 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000193369714 884346493 /nfs/dbraw/zinc/34/64/93/884346493.db2.gz SVNYOTSCAONVMN-AEFFLSMTSA-N 0 0 391.924 3.801 10 0 GHAERN C[C@@H](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)NC(=O)C1CCCCC1 ZINC000102914973 884632722 /nfs/dbraw/zinc/63/27/22/884632722.db2.gz KOIUDKJXHBFBMA-YJBOKZPZSA-N 0 0 386.492 3.554 10 0 GHAERN COc1cccc2c1OC[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)C2 ZINC000102958506 884656532 /nfs/dbraw/zinc/65/65/32/884656532.db2.gz PYBDLMCTWYOFRX-PXNSSMCTSA-N 0 0 378.428 3.681 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000104459470 885455603 /nfs/dbraw/zinc/45/56/03/885455603.db2.gz MNDMNKKKDTWBHH-UHFFFAOYSA-N 0 0 393.462 3.823 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1Br ZINC000151687832 885736702 /nfs/dbraw/zinc/73/67/02/885736702.db2.gz CVBMCHZCKJUIRF-JKIFEVAISA-N 0 0 391.313 3.999 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)N2CCC(c3nnc4ccccn43)CC2)n1 ZINC000104807798 886006315 /nfs/dbraw/zinc/00/63/15/886006315.db2.gz INLREVHEDRQDPD-UHFFFAOYSA-N 0 0 398.536 3.573 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@H](COCC(C)C)c2ccco2)c2ccccc2)[nH]1 ZINC000105219371 886012698 /nfs/dbraw/zinc/01/26/98/886012698.db2.gz ZAJXCNHEVMYJPH-MJGOQNOKSA-N 0 0 397.479 3.509 10 0 GHAERN Cc1oc(-c2cccs2)nc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150623 886027401 /nfs/dbraw/zinc/02/74/01/886027401.db2.gz AEENEWPQCZVUCV-UHFFFAOYSA-N 0 0 399.520 3.680 10 0 GHAERN O=C1Nc2ccccc2[C@@H]1Cc1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000109576901 886135383 /nfs/dbraw/zinc/13/53/83/886135383.db2.gz DDZMPKGDZJDEMX-IBGZPJMESA-N 0 0 398.422 3.989 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000114590628 886316218 /nfs/dbraw/zinc/31/62/18/886316218.db2.gz OMFFBRFWEAQTDG-YLJYHZDGSA-N 0 0 381.524 3.507 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114809787 886327713 /nfs/dbraw/zinc/32/77/13/886327713.db2.gz QXKZWEJIXBCILE-LBPRGKRZSA-N 0 0 378.885 3.568 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@H](c2ncccc2C)C(C)C)c2ccccc2)[nH]1 ZINC000115840889 886350466 /nfs/dbraw/zinc/35/04/66/886350466.db2.gz HPKOYKIYAAHUKT-HKUYNNGSSA-N 0 0 378.480 3.602 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCCOc3ccc(F)cc3F)CC2)n1 ZINC000116668596 886369575 /nfs/dbraw/zinc/36/95/75/886369575.db2.gz XFGOJHBAUUAYFW-UHFFFAOYSA-N 0 0 389.446 3.612 10 0 GHAERN COc1ccc(S[C@@H](C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116667421 886370052 /nfs/dbraw/zinc/37/00/52/886370052.db2.gz PKOQVYJZZLTUAX-INIZCTEOSA-N 0 0 385.533 3.664 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000117638212 886390216 /nfs/dbraw/zinc/39/02/16/886390216.db2.gz VIMSZDQMPXWHFC-YCRPNKLZSA-N 0 0 387.439 3.515 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccccc1 ZINC000119019818 886422446 /nfs/dbraw/zinc/42/24/46/886422446.db2.gz XVNSJRHBZHIUNR-RBUKOAKNSA-N 0 0 398.507 3.530 10 0 GHAERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000332715098 886539556 /nfs/dbraw/zinc/53/95/56/886539556.db2.gz FONHAIXHMNEUHX-BMRXWSCTSA-N 0 0 384.446 3.961 10 0 GHAERN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)[C@H]1CC(=O)Nc2ccccc21 ZINC000332898492 886557984 /nfs/dbraw/zinc/55/79/84/886557984.db2.gz KEMPFZQIJBREJX-PKOBYXMFSA-N 0 0 378.476 3.618 10 0 GHAERN C[C@H]1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)C[C@H](C)O1 ZINC000041885269 886728392 /nfs/dbraw/zinc/72/83/92/886728392.db2.gz BPMMDCBJUYIZJD-ROUUACIJSA-N 0 0 378.557 3.611 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCC(C(F)(F)F)CC2)c2ccccc2F)no1 ZINC000124374826 886739032 /nfs/dbraw/zinc/73/90/32/886739032.db2.gz WRECXSSAGGWAAA-AWEZNQCLSA-N 0 0 386.349 3.590 10 0 GHAERN CCn1nccc1C=CC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000124725854 886789481 /nfs/dbraw/zinc/78/94/81/886789481.db2.gz CCEPAKKJSGTDEX-MDZDMXLPSA-N 0 0 381.455 3.537 10 0 GHAERN NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000127870800 887112913 /nfs/dbraw/zinc/11/29/13/887112913.db2.gz YAWIBPWFGWLOGY-GOSISDBHSA-N 0 0 398.553 3.608 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000127884932 887114843 /nfs/dbraw/zinc/11/48/43/887114843.db2.gz GNHLHEIKACGFAA-MRXNPFEDSA-N 0 0 391.581 3.812 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)c1cc(OC)c(OC)cc1F)c1ccco1 ZINC000129124658 887262888 /nfs/dbraw/zinc/26/28/88/887262888.db2.gz QLIMIHXVXLXYGR-HXUWFJFHSA-N 0 0 385.391 3.964 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000129194593 887270124 /nfs/dbraw/zinc/27/01/24/887270124.db2.gz KZYCBNKTGUEXQS-JXFKEZNVSA-N 0 0 378.472 3.564 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)c1cc(OC)c(OC)cc1F)c1ccccn1 ZINC000129319419 887284691 /nfs/dbraw/zinc/28/46/91/887284691.db2.gz ZLCNNWIBAFLFJU-OAQYLSRUSA-N 0 0 396.418 3.766 10 0 GHAERN Cc1nc(C)n(-c2ccccc2NC(=O)NC2CCN(c3cccs3)CC2)n1 ZINC000132116621 887619718 /nfs/dbraw/zinc/61/97/18/887619718.db2.gz NJXMCBQMJQYNTC-UHFFFAOYSA-N 0 0 396.520 3.736 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000050366885 887665104 /nfs/dbraw/zinc/66/51/04/887665104.db2.gz SXBJLGNVUCHXBG-CQSZACIVSA-N 0 0 394.443 3.518 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000132841558 887706599 /nfs/dbraw/zinc/70/65/99/887706599.db2.gz SYPNOPJREXWJIL-YADHBBJMSA-N 0 0 376.500 3.767 10 0 GHAERN CSCC[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 ZINC000050966637 887712498 /nfs/dbraw/zinc/71/24/98/887712498.db2.gz LVIOYYOLGIWNNG-RDTXWAMCSA-N 0 0 394.500 3.599 10 0 GHAERN CCS[C@H](C)c1noc(C[S@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000133494173 887770103 /nfs/dbraw/zinc/77/01/03/887770103.db2.gz KPCOPKBSPQDJFK-AOOLBULQSA-N 0 0 392.506 3.944 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4c(cccc4OC(F)F)[nH]3)CCO2)o1 ZINC000133912925 887815699 /nfs/dbraw/zinc/81/56/99/887815699.db2.gz ZUHVALNLXICIKS-KRWDZBQOSA-N 0 0 376.359 3.884 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000134290643 887848747 /nfs/dbraw/zinc/84/87/47/887848747.db2.gz BFJNDESMKOJZBJ-WMZOPIPTSA-N 0 0 381.501 3.734 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134297882 887850080 /nfs/dbraw/zinc/85/00/80/887850080.db2.gz UCOLVWSKSCSIJY-CXAGYDPISA-N 0 0 393.940 3.771 10 0 GHAERN COc1ccc(CCCCCC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000134308485 887857264 /nfs/dbraw/zinc/85/72/64/887857264.db2.gz XZHOJJHVIHFKFM-DENIHFKCSA-N 0 0 399.535 3.504 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000134333058 887860476 /nfs/dbraw/zinc/86/04/76/887860476.db2.gz OXCLUWKZNWKMSW-GGAORHGYSA-N 0 0 389.499 3.602 10 0 GHAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134342873 887860567 /nfs/dbraw/zinc/86/05/67/887860567.db2.gz RVZZIPOJKOHMAL-ZQIUZPCESA-N 0 0 393.940 3.526 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000134376115 887865585 /nfs/dbraw/zinc/86/55/85/887865585.db2.gz NVRVGJVCDWRTQQ-KDOFPFPSSA-N 0 0 396.318 3.632 10 0 GHAERN Cc1cccc(OCCCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)c1 ZINC000054552024 888015003 /nfs/dbraw/zinc/01/50/03/888015003.db2.gz LLUYXNMJAVBQLW-LJQANCHMSA-N 0 0 382.508 3.836 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3nc(C4CCCC4)no3)C2)c1 ZINC000135572423 888248771 /nfs/dbraw/zinc/24/87/71/888248771.db2.gz PDHHZEWXVOLFBS-MRXNPFEDSA-N 0 0 399.491 3.693 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000054062938 888262474 /nfs/dbraw/zinc/26/24/74/888262474.db2.gz VZBYHOHPIQKUPP-OAHLLOKOSA-N 0 0 393.478 3.850 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000056280100 888355463 /nfs/dbraw/zinc/35/54/63/888355463.db2.gz JAUJFURLAWTIDD-FCHUYYIVSA-N 0 0 392.499 3.575 10 0 GHAERN CCN(C(=O)NCc1cccnc1-n1cncn1)[C@H](C)c1cc2ccccc2o1 ZINC000056622935 888371431 /nfs/dbraw/zinc/37/14/31/888371431.db2.gz GUXHNOQAHDHGSU-OAHLLOKOSA-N 0 0 390.447 3.701 10 0 GHAERN Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)ccc1C(N)=O ZINC000105373572 888424966 /nfs/dbraw/zinc/42/49/66/888424966.db2.gz OSIVYXSBXCDAJN-JOCHJYFZSA-N 0 0 385.467 3.836 10 0 GHAERN O=C(Nc1nccs1)c1ccc(NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193987667 888546752 /nfs/dbraw/zinc/54/67/52/888546752.db2.gz RFFSJDNIXCXSGO-MRXNPFEDSA-N 0 0 378.457 3.849 10 0 GHAERN CC(=O)c1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1C ZINC000194496795 888590383 /nfs/dbraw/zinc/59/03/83/888590383.db2.gz DXDXOEIVOUHBMP-OAQYLSRUSA-N 0 0 382.435 3.560 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)o1 ZINC000194728918 888616390 /nfs/dbraw/zinc/61/63/90/888616390.db2.gz FQGBKSIOQRSYAQ-OPECEQKHSA-N 0 0 384.520 3.913 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000194934311 888632269 /nfs/dbraw/zinc/63/22/69/888632269.db2.gz YYFUHCIWVDARQD-PZJWPPBQSA-N 0 0 383.467 3.549 10 0 GHAERN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000303157980 888667254 /nfs/dbraw/zinc/66/72/54/888667254.db2.gz DRODCRKBUKBYIA-RTBURBONSA-N 0 0 397.544 3.678 10 0 GHAERN C[C@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000245446186 888779728 /nfs/dbraw/zinc/77/97/28/888779728.db2.gz ZNURGRPMZHRXAY-FDDCHVKYSA-N 0 0 391.515 3.557 10 0 GHAERN C[C@@H]1CN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000245446187 888780315 /nfs/dbraw/zinc/78/03/15/888780315.db2.gz ZNURGRPMZHRXAY-WZONZLPQSA-N 0 0 391.515 3.557 10 0 GHAERN C[C@H](NC(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H](C)c1ccccc1 ZINC000245628462 889094060 /nfs/dbraw/zinc/09/40/60/889094060.db2.gz GZVGXCWXWUTUJY-WSTZPKSXSA-N 0 0 379.504 3.527 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000245653519 889169684 /nfs/dbraw/zinc/16/96/84/889169684.db2.gz KQIBPECTQDWVOT-QRVBRYPASA-N 0 0 399.491 3.731 10 0 GHAERN Cc1c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cnn1CCO[C@@H]1CCCCO1 ZINC000245694044 889245806 /nfs/dbraw/zinc/24/58/06/889245806.db2.gz XRWFLDLGJTVYMC-DQLDELGASA-N 0 0 383.492 3.568 10 0 GHAERN O=C(Nc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1)c1cccs1 ZINC000246113285 890400349 /nfs/dbraw/zinc/40/03/49/890400349.db2.gz NQCZHJVUCHXADQ-CGTJXYLNSA-N 0 0 382.485 3.688 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246146190 890475092 /nfs/dbraw/zinc/47/50/92/890475092.db2.gz SMRLYQJOPVQJCN-NKGKWGDASA-N 0 0 382.863 3.520 10 0 GHAERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246219303 890723705 /nfs/dbraw/zinc/72/37/05/890723705.db2.gz VSXLJHVNYUZNJH-CGTJXYLNSA-N 0 0 381.480 3.605 10 0 GHAERN Cc1ccc([C@@H]2CN([C@H](C)C(=O)Nc3ccccc3OC(F)F)CCO2)o1 ZINC000246250715 890840465 /nfs/dbraw/zinc/84/04/65/890840465.db2.gz GSGMBGRTLVVYLO-DYVFJYSZSA-N 0 0 380.391 3.590 10 0 GHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000105912204 890910721 /nfs/dbraw/zinc/91/07/21/890910721.db2.gz SJONXVOVNVFQQD-BRADTZPFSA-N 0 0 392.908 3.944 10 0 GHAERN Cc1occc1C(=O)NC1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000066479877 891114247 /nfs/dbraw/zinc/11/42/47/891114247.db2.gz OLZLFXTWDGWYOR-BQYQJAHWSA-N 0 0 389.455 3.570 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000066776224 891130672 /nfs/dbraw/zinc/13/06/72/891130672.db2.gz ATALOCUQTVZDOI-VOTSOKGWSA-N 0 0 392.377 3.733 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccncc1 ZINC000067589997 891158339 /nfs/dbraw/zinc/15/83/39/891158339.db2.gz AKZSZQLMAAHYTJ-SUMWQHHRSA-N 0 0 390.281 3.688 10 0 GHAERN CC(C)c1nc(-c2ccccc2NC(=O)[C@@H](C)Oc2cccc(C=O)c2)n[nH]1 ZINC000068304010 891175532 /nfs/dbraw/zinc/17/55/32/891175532.db2.gz QWTSHPLHSBBXPH-CQSZACIVSA-N 0 0 378.432 3.814 10 0 GHAERN NC(=O)CCSc1ccccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000069336873 891199396 /nfs/dbraw/zinc/19/93/96/891199396.db2.gz RHOYCYJESNLLTN-UHFFFAOYSA-N 0 0 381.501 3.975 10 0 GHAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246875052 891319332 /nfs/dbraw/zinc/31/93/32/891319332.db2.gz DLKLMMZDRBGKOF-PEYYIBSZSA-N 0 0 383.286 3.675 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)cc1 ZINC000246888040 891320400 /nfs/dbraw/zinc/32/04/00/891320400.db2.gz BKBHLPCZKONTHF-KKVAFCGZSA-N 0 0 396.512 3.903 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000247057663 891339379 /nfs/dbraw/zinc/33/93/79/891339379.db2.gz OYLHMVAYAPQXNU-YHYVQYDKSA-N 0 0 378.520 3.743 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NC[C@H](CCO)c3ccccc3)C2)cc1 ZINC000247229984 891357180 /nfs/dbraw/zinc/35/71/80/891357180.db2.gz ORQMTGQVNZTTSV-DZFGPLHGSA-N 0 0 382.504 3.749 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247230744 891357634 /nfs/dbraw/zinc/35/76/34/891357634.db2.gz ZHSIQWUFVMGTNI-VAMGGRTRSA-N 0 0 388.508 3.709 10 0 GHAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247457786 891379212 /nfs/dbraw/zinc/37/92/12/891379212.db2.gz PJUDSDILQZXIRJ-LXZKKBNFSA-N 0 0 377.872 3.546 10 0 GHAERN O=C1O[C@@H](C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CN1c1ccccc1 ZINC000248409242 891432416 /nfs/dbraw/zinc/43/24/16/891432416.db2.gz CNKOJGVBYSVMTJ-CVEARBPZSA-N 0 0 394.397 3.564 10 0 GHAERN C[C@H](CN(C)C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439299 891436257 /nfs/dbraw/zinc/43/62/57/891436257.db2.gz CLLMSFSUVZAWCC-DQYPLSBCSA-N 0 0 394.491 3.612 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c2ccc(F)cc2C1 ZINC000248642143 891450285 /nfs/dbraw/zinc/45/02/85/891450285.db2.gz MWDPDTJETHHCIG-VSKRKVRLSA-N 0 0 380.463 3.847 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248775276 891468360 /nfs/dbraw/zinc/46/83/60/891468360.db2.gz HOABXSWMDIMDRB-GUDVDZBRSA-N 0 0 388.508 3.716 10 0 GHAERN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248874330 891476478 /nfs/dbraw/zinc/47/64/78/891476478.db2.gz BXSUFHNQEOXVKW-LXZKKBNFSA-N 0 0 383.414 3.644 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)C1 ZINC000248947665 891482946 /nfs/dbraw/zinc/48/29/46/891482946.db2.gz JJXZCSYGIRAGOL-QGTPRVQTSA-N 0 0 387.480 3.566 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@H](C)CC2)c2ccc(F)cc2C1 ZINC000249070140 891492619 /nfs/dbraw/zinc/49/26/19/891492619.db2.gz JMWQWDFIPUUHPE-DCPHZVHLSA-N 0 0 375.488 3.887 10 0 GHAERN CC(C)N1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558341 891881528 /nfs/dbraw/zinc/88/15/28/891881528.db2.gz NVIREJYXQKUAME-SJLPKXTDSA-N 0 0 377.847 3.534 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3ccc(N4CCC(C)=N4)cc3)C2)c1 ZINC000102384219 898007331 /nfs/dbraw/zinc/00/73/31/898007331.db2.gz NZLTZLREVWLUNK-SFHVURJKSA-N 0 0 392.503 3.538 10 0 GHAERN CC1(C)CCCN1C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000102960050 898056286 /nfs/dbraw/zinc/05/62/86/898056286.db2.gz UQLPGMMTLRWUKD-UHFFFAOYSA-N 0 0 387.505 3.571 10 0 GHAERN CN(C)C(=O)C1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000103877502 898112122 /nfs/dbraw/zinc/11/21/22/898112122.db2.gz XJXANLJDKZKSGZ-GOSISDBHSA-N 0 0 377.916 3.691 10 0 GHAERN Cn1cc(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1=O ZINC000104770564 898162484 /nfs/dbraw/zinc/16/24/84/898162484.db2.gz SHERKTNTPDFYNF-INIZCTEOSA-N 0 0 398.463 3.847 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000105598700 898213509 /nfs/dbraw/zinc/21/35/09/898213509.db2.gz OPJHSTREMGFRLX-KRWDZBQOSA-N 0 0 383.473 3.619 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@H](C)c4ccccc43)C2)n(C)n1 ZINC000333063278 899930681 /nfs/dbraw/zinc/93/06/81/899930681.db2.gz BJAMUZATTWDRCO-RIFZZMRRSA-N 0 0 381.524 3.635 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121089908 899950037 /nfs/dbraw/zinc/95/00/37/899950037.db2.gz AFTMOIVZWWVYHT-OSIYLENDSA-N 0 0 392.368 3.903 10 0 GHAERN CN(C)c1cc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)ncc1Br ZINC000333651034 902247266 /nfs/dbraw/zinc/24/72/66/902247266.db2.gz KLGRYWLVFLITEO-LBPRGKRZSA-N 0 0 397.317 3.523 10 0 GHAERN O=C(Nc1cccc2c(Br)ccnc12)N1CC[C@H](O)CC12CCC2 ZINC000333769063 902320797 /nfs/dbraw/zinc/32/07/97/902320797.db2.gz DZZZPDUWZXXULR-LBPRGKRZSA-N 0 0 390.281 3.909 10 0 GHAERN O=C(CN1NC(=O)CC12CCCCC2)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000333823825 902349899 /nfs/dbraw/zinc/34/98/99/902349899.db2.gz JMUOJULUEWRYQX-NRFANRHFSA-N 0 0 387.499 3.613 10 0 GHAERN Cc1ccc(C)c(-n2cnc3cc(C(=O)N4C[C@@H]5CC[C@@H](O)C[C@H]5C4)ccc32)c1 ZINC000333989056 902484532 /nfs/dbraw/zinc/48/45/32/902484532.db2.gz IQTXAXRFSOBKFE-SLFFLAALSA-N 0 0 389.499 3.875 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334024891 902509350 /nfs/dbraw/zinc/50/93/50/902509350.db2.gz GLBYTZWKKNMLGO-WMZHIEFXSA-N 0 0 376.456 3.884 10 0 GHAERN Cn1ncc2c1CCCN(C(=O)N[C@@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000334041235 902521841 /nfs/dbraw/zinc/52/18/41/902521841.db2.gz OLVKLKHFLMLHRO-GOSISDBHSA-N 0 0 380.492 3.715 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179356466 906481811 /nfs/dbraw/zinc/48/18/11/906481811.db2.gz UQUVLIXMZNLGBR-HNNXBMFYSA-N 0 0 385.855 3.800 10 0 GHAERN CCc1ccc(C(=O)N2CCC(C(=O)N(CC)[C@H]3CCOC(C)(C)C3)CC2)o1 ZINC000366025563 921288692 /nfs/dbraw/zinc/28/86/92/921288692.db2.gz XMBOZQUMEOZOQO-KRWDZBQOSA-N 0 0 390.524 3.500 10 0 GHAERN CCOc1cc(Br)ccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183211959 907352100 /nfs/dbraw/zinc/35/21/00/907352100.db2.gz DDEIKWHZNNDWMZ-CYBMUJFWSA-N 0 0 394.273 3.725 10 0 GHAERN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000184798726 907660041 /nfs/dbraw/zinc/66/00/41/907660041.db2.gz ZETJLXWHSDFERF-HNNXBMFYSA-N 0 0 391.859 3.782 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)NCc2cccc(NC(=O)N(C)C)c2)cs1 ZINC000187275352 908065770 /nfs/dbraw/zinc/06/57/70/908065770.db2.gz ZUBSIGSOLRLHMY-QGZVFWFLSA-N 0 0 387.509 3.592 10 0 GHAERN CCC(=O)c1ccc(OCCCCC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000187839528 908146024 /nfs/dbraw/zinc/14/60/24/908146024.db2.gz HWCJBRWZLWRWEL-SFHVURJKSA-N 0 0 384.480 3.700 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000189125595 908286341 /nfs/dbraw/zinc/28/63/41/908286341.db2.gz DWBWKIYOIGYSGO-AZUAARDMSA-N 0 0 377.444 3.571 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1 ZINC000189413973 908318810 /nfs/dbraw/zinc/31/88/10/908318810.db2.gz LXLLDECZZFTZON-DLBZAZTESA-N 0 0 397.435 3.644 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190069293 908419167 /nfs/dbraw/zinc/41/91/67/908419167.db2.gz UHKOOMUATRNRNG-TZMCWYRMSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000190128318 908434353 /nfs/dbraw/zinc/43/43/53/908434353.db2.gz SPDKGGVAHJJHQO-MFKMUULPSA-N 0 0 388.321 3.530 10 0 GHAERN c1ccc(CNc2ncc(CN(Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000055386052 924040982 /nfs/dbraw/zinc/04/09/82/924040982.db2.gz FRCDJTZPPPSVJB-QFIPXVFZSA-N 0 0 389.503 3.665 10 0 GHAERN O=C(c1cccc(I)c1)N1CCC[C@H]1c1nccs1 ZINC000372129315 925178821 /nfs/dbraw/zinc/17/88/21/925178821.db2.gz VURYHEKDKWCICC-LBPRGKRZSA-N 0 0 384.242 3.725 10 0 GHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(I)cc1 ZINC000692410332 976449933 /nfs/dbraw/zinc/44/99/33/976449933.db2.gz WTUJECFCZDWCIU-UHFFFAOYSA-N 0 0 395.240 3.768 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@H](CC(C)C)C2)c2ccc(F)cc2C1 ZINC000184027978 1014571617 /nfs/dbraw/zinc/57/16/17/1014571617.db2.gz ICWULPWABMXDFY-UZLBHIALSA-N 0 0 375.488 3.697 10 0 GHAERN Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1 ZINC000006503983 209128782 /nfs/dbraw/zinc/12/87/82/209128782.db2.gz KRFWXJBTGUOJOZ-JXMROGBWSA-N 0 0 388.489 3.661 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1csc(COc2ccccc2)n1 ZINC000190426503 209112411 /nfs/dbraw/zinc/11/24/11/209112411.db2.gz VKABZBNXZMBCNI-ICSRJNTNSA-N 0 0 398.532 3.948 10 0 GHAERN O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004893028 206566916 /nfs/dbraw/zinc/56/69/16/206566916.db2.gz AEEKAFDWBBWRSZ-FTUNRGFVSA-N 0 0 378.403 3.614 10 0 GHAERN Cc1ccc(CN2CCCN(Cc3ccc(F)cc3Cl)S2(=O)=O)cc1 ZINC000009224649 206778412 /nfs/dbraw/zinc/77/84/12/206778412.db2.gz GJPQJKNTDQRDGH-UHFFFAOYSA-N 0 0 382.888 3.740 10 0 GHAERN COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(N)c32)c(OC)c1OC ZINC000009694644 206798032 /nfs/dbraw/zinc/79/80/32/206798032.db2.gz RQVYIXYXZPDZSA-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Cc1c(C(=O)NCCC(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000011965433 206846202 /nfs/dbraw/zinc/84/62/02/206846202.db2.gz DXVSOWMSUSGMMY-UHFFFAOYSA-N 0 0 375.476 3.512 10 0 GHAERN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CC2=O)c1 ZINC000020373061 207190419 /nfs/dbraw/zinc/19/04/19/207190419.db2.gz GCMRQZDPPUCUSB-MRXNPFEDSA-N 0 0 393.487 3.515 10 0 GHAERN CNS(=O)(=O)c1ccc(C)c(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038003299 207250015 /nfs/dbraw/zinc/25/00/15/207250015.db2.gz YYLXCCAQBHACKA-JTQLQIEISA-N 0 0 389.340 3.900 10 0 GHAERN Cc1sc2nc(CNCc3ccc(Br)s3)[nH]c(=O)c2c1C ZINC000038018623 207256205 /nfs/dbraw/zinc/25/62/05/207256205.db2.gz PUSIXLRNJHCDME-UHFFFAOYSA-N 0 0 384.324 3.715 10 0 GHAERN Clc1ccc2nccc(CN(CCN3CCOCC3)Cc3cccnc3)c2c1 ZINC000022931482 207265656 /nfs/dbraw/zinc/26/56/56/207265656.db2.gz LOTXKOIKQWAOBX-UHFFFAOYSA-N 0 0 396.922 3.618 10 0 GHAERN C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008806 207430001 /nfs/dbraw/zinc/43/00/01/207430001.db2.gz RSFVUUWPJFDENW-CQSZACIVSA-N 0 0 377.469 3.660 10 0 GHAERN COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3C)C2=O)cc1 ZINC000047152456 207680789 /nfs/dbraw/zinc/68/07/89/207680789.db2.gz MAVFVUONVGEGHL-BOPFTXTBSA-N 0 0 382.441 3.679 10 0 GHAERN Cc1ccc(C)c(Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC(C)C)c1 ZINC000064860481 207814555 /nfs/dbraw/zinc/81/45/55/207814555.db2.gz FGGNNNXQWFGSAZ-UHFFFAOYSA-N 0 0 390.487 3.522 10 0 GHAERN CNc1nc2ccccc2nc1N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095075770 208151802 /nfs/dbraw/zinc/15/18/02/208151802.db2.gz MPCLLFDIOIKIEB-UHFFFAOYSA-N 0 0 385.512 3.755 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(C[S@](=O)Cc2cnc(Cl)s2)CC1 ZINC000095084438 208152164 /nfs/dbraw/zinc/15/21/64/208152164.db2.gz IMFOMHXBLUEYSL-HSZRJFAPSA-N 0 0 378.947 3.692 10 0 GHAERN CCOC(=O)Cc1coc2c1c(NC(=O)OC(C)(C)C)cc(OC)c2OC ZINC000095081530 208153375 /nfs/dbraw/zinc/15/33/75/208153375.db2.gz JWQSQIJJVQLEHV-UHFFFAOYSA-N 0 0 379.409 3.903 10 0 GHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 ZINC000095087602 208155837 /nfs/dbraw/zinc/15/58/37/208155837.db2.gz LJXMLDLWRISVQZ-NSHDSACASA-N 0 0 375.300 3.520 10 0 GHAERN CN(C(=O)OC(C)(C)C)[C@H](C[C@H]1CCCOC1)NC(=O)OCc1ccccc1 ZINC000095912910 208240237 /nfs/dbraw/zinc/24/02/37/208240237.db2.gz FVDZZYVEJZKLNE-QZTJIDSGSA-N 0 0 392.496 3.923 10 0 GHAERN O=S(=O)(/C=C\c1ccccc1)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000101323303 208389812 /nfs/dbraw/zinc/38/98/12/208389812.db2.gz WOHGCEHABXTDBC-PFONDFGASA-N 0 0 385.533 3.967 10 0 GHAERN Cc1cccc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)C2)c1 ZINC000096161140 136184763 /nfs/dbraw/zinc/18/47/63/136184763.db2.gz NNEXFASERMWHJB-QGZVFWFLSA-N 0 0 379.460 3.762 10 0 GHAERN COCc1cc(N2CCc3onc(-c4ccc(C(F)(F)F)cc4)c3C2)ncn1 ZINC000067675058 536728343 /nfs/dbraw/zinc/72/83/43/536728343.db2.gz UXGCBFAFYCYFIB-UHFFFAOYSA-N 0 0 390.365 3.860 10 0 GHAERN Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715006 570318751 /nfs/dbraw/zinc/31/87/51/570318751.db2.gz HZQSMVLYRUFFCP-RBUKOAKNSA-N 0 0 380.463 3.659 10 0 GHAERN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(C)cn4)CC3)cn2)cc1 ZINC000035403839 570351422 /nfs/dbraw/zinc/35/14/22/570351422.db2.gz BVHNAVKBVFRGPB-UHFFFAOYSA-N 0 0 387.487 3.612 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@@H]2C(=O)NC(C)C)c1 ZINC000036045955 570519243 /nfs/dbraw/zinc/51/92/43/570519243.db2.gz CEGNPDJRUMSFHY-SFTDATJTSA-N 0 0 395.503 3.776 10 0 GHAERN Cc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CCCC[C@@H]2C)c1 ZINC000064758839 570536010 /nfs/dbraw/zinc/53/60/10/570536010.db2.gz OELNUWMQUVVYLI-KRWDZBQOSA-N 0 0 377.492 3.908 10 0 GHAERN O=C(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000006765533 570576428 /nfs/dbraw/zinc/57/64/28/570576428.db2.gz ADRBENNMYGAMIP-QFIPXVFZSA-N 0 0 395.409 3.727 10 0 GHAERN CCOc1ccc([C@H]2OC(c3ccccc3OC(C)C)=NN2C(C)=O)cc1O ZINC000064567422 570600862 /nfs/dbraw/zinc/60/08/62/570600862.db2.gz AUFSGYOOFFMASS-OAQYLSRUSA-N 0 0 384.432 3.817 10 0 GHAERN CCC(=O)N1CCN([C@@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311750 570611620 /nfs/dbraw/zinc/61/16/20/570611620.db2.gz NTBDTNSICNPMOC-JOCHJYFZSA-N 0 0 385.552 3.862 10 0 GHAERN CC(=O)OCc1c(C)cc(C)c(CN(C)Cc2nc(-c3ccccn3)no2)c1C ZINC000055088057 570681990 /nfs/dbraw/zinc/68/19/90/570681990.db2.gz GBGGZZRDEOIDMW-UHFFFAOYSA-N 0 0 394.475 3.752 10 0 GHAERN COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c1O ZINC000169352081 570781065 /nfs/dbraw/zinc/78/10/65/570781065.db2.gz HRGWMGTYIRQYMO-IIYZAJTGSA-N 0 0 383.444 3.712 10 0 GHAERN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)N[C@H](C)c1nnc3ccccn31)CCO2 ZINC000583619695 570800590 /nfs/dbraw/zinc/80/05/90/570800590.db2.gz JWZGQDYARRVQCN-TWWFPWMWSA-N 0 0 390.487 3.770 10 0 GHAERN Cc1c(NC(=O)[C@@H]2C[C@]23CCOc2ccc(C(C)C)cc23)cccc1C(N)=O ZINC000583619840 570800619 /nfs/dbraw/zinc/80/06/19/570800619.db2.gz ORXOTNBGPYVRKQ-MBSDFSHPSA-N 0 0 378.472 3.896 10 0 GHAERN CC[C@H](C)NC(=O)c1c(C)c(N2CCOCC2)c(C)n1Cc1cccc(F)c1 ZINC000004527419 570972882 /nfs/dbraw/zinc/97/28/82/570972882.db2.gz REZMLWWHDWXVQW-HNNXBMFYSA-N 0 0 387.499 3.657 10 0 GHAERN O=C(NCCc1ccccc1F)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000007546105 837469992 /nfs/dbraw/zinc/46/99/92/837469992.db2.gz RMBSHDMOXHYSSE-UHFFFAOYSA-N 0 0 388.870 3.690 10 0 GHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000247039334 837768185 /nfs/dbraw/zinc/76/81/85/837768185.db2.gz UOFASRUZQKUFHD-OXFYSEKESA-N 0 0 385.508 3.780 10 0 GHAERN CSc1nsc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000156853412 834602807 /nfs/dbraw/zinc/60/28/07/834602807.db2.gz BUALWKHWSTZJBT-UHFFFAOYSA-N 0 0 375.479 3.813 10 0 GHAERN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)NC1CCC(C(F)(F)F)CC1 ZINC000121713169 834650122 /nfs/dbraw/zinc/65/01/22/834650122.db2.gz OOBKPHKPFOVMRZ-BPCQOVAHSA-N 0 0 390.837 3.734 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cc(Cl)cc(Cl)c1)C2 ZINC000113299656 837813068 /nfs/dbraw/zinc/81/30/68/837813068.db2.gz XFENPVXUWLWKIL-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2c(Cl)ccc(C)c2Cl)no1 ZINC000329326758 834842971 /nfs/dbraw/zinc/84/29/71/834842971.db2.gz UGSKJOZATCIQIS-NSHDSACASA-N 0 0 376.265 3.519 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CSc3nc4ccccc4s3)CC2)nc1 ZINC000157806448 835105613 /nfs/dbraw/zinc/10/56/13/835105613.db2.gz VQJPVFPZZVGACC-UHFFFAOYSA-N 0 0 398.557 3.877 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3csc(CNC(=O)c4ccccc4)n3)CCO2)o1 ZINC000158915570 835650923 /nfs/dbraw/zinc/65/09/23/835650923.db2.gz IUPZEMUTTZLCKM-IBGZPJMESA-N 0 0 397.500 3.548 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000588593644 835887161 /nfs/dbraw/zinc/88/71/61/835887161.db2.gz OJDOKYHKJBCTCI-BLIJAFNYSA-N 0 0 389.517 3.682 10 0 GHAERN O=C(CC1(CCc2ccccc2)CCCC1)N1CCC(N2CCNC2=O)CC1 ZINC000112796233 836282170 /nfs/dbraw/zinc/28/21/70/836282170.db2.gz XQZRNRZORVICMQ-UHFFFAOYSA-N 0 0 383.536 3.586 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCN3CCCC[C@H]3C2)s1)c1ccccc1 ZINC000246321608 836524215 /nfs/dbraw/zinc/52/42/15/836524215.db2.gz IINLUJZIWFCBOV-DLBZAZTESA-N 0 0 385.537 3.782 10 0 GHAERN Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328648700 836543986 /nfs/dbraw/zinc/54/39/86/836543986.db2.gz AMWHXYCDYVXBHQ-KPZWWZAWSA-N 0 0 381.307 3.920 10 0 GHAERN Cc1ccc([C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C2CC2)cc1 ZINC000332904278 836965305 /nfs/dbraw/zinc/96/53/05/836965305.db2.gz ULZYSLURSOBIMV-PZJWPPBQSA-N 0 0 379.508 3.513 10 0 GHAERN C[C@@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)[C@H]1CO ZINC000408419354 844224779 /nfs/dbraw/zinc/22/47/79/844224779.db2.gz JPADUIBDOWFIAM-OQPBUACISA-N 0 0 379.657 3.866 10 0 GHAERN Cc1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)o1 ZINC000275523391 837168943 /nfs/dbraw/zinc/16/89/43/837168943.db2.gz YFMHAFCGXCYSNU-GJZGRUSLSA-N 0 0 389.521 3.804 10 0 GHAERN Cc1cc(-c2cc(C(=O)N3CCO[C@@H]4CCC[C@H]43)c3c(C)noc3n2)c(C)o1 ZINC000056194143 837294404 /nfs/dbraw/zinc/29/44/04/837294404.db2.gz WTRPFOXOEJINCD-QZTJIDSGSA-N 0 0 381.432 3.802 10 0 GHAERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000105244684 837972332 /nfs/dbraw/zinc/97/23/32/837972332.db2.gz MPYJGOYMGOSRNR-PMACEKPBSA-N 0 0 377.573 3.881 10 0 GHAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@@H](c2nccs2)C1 ZINC000114742023 838292677 /nfs/dbraw/zinc/29/26/77/838292677.db2.gz LFBFYUQQHGZWPE-SECBINFHSA-N 0 0 393.353 3.535 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000179624967 838401865 /nfs/dbraw/zinc/40/18/65/838401865.db2.gz PDJBCFDHPDLOBR-PKOBYXMFSA-N 0 0 387.867 3.858 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000179624925 838402009 /nfs/dbraw/zinc/40/20/09/838402009.db2.gz PDJBCFDHPDLOBR-MJGOQNOKSA-N 0 0 387.867 3.858 10 0 GHAERN Cc1cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc(Cl)c1Br ZINC000408005258 838525078 /nfs/dbraw/zinc/52/50/78/838525078.db2.gz SOSABLHOAFGYQU-LBPRGKRZSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(Nc1ccc(O)cc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000183261500 838920489 /nfs/dbraw/zinc/92/04/89/838920489.db2.gz BBFWPMZSCCSTPI-SJAGGWKPSA-N 0 0 386.467 3.677 10 0 GHAERN CC1CCN(C(=O)c2ccc(N3CCC[C@@H]3[C@H]3CCCC[C@]3(C)O)nc2)CC1 ZINC000408033699 838978182 /nfs/dbraw/zinc/97/81/82/838978182.db2.gz APTVDDRQVLNWQW-VIZSFHNOSA-N 0 0 385.552 3.864 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCCc3ccc(C(C)(C)C)cc3)C2)n1 ZINC000117029772 839541760 /nfs/dbraw/zinc/54/17/60/839541760.db2.gz NJBHGGHLRZARLW-HXUWFJFHSA-N 0 0 397.567 3.857 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000106225122 840805885 /nfs/dbraw/zinc/80/58/85/840805885.db2.gz LSBLKPGNDVRBAI-YOEHRIQHSA-N 0 0 391.313 3.618 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)COc2ccc3oc4c(c3c2)CCCC4)cn1 ZINC000328934928 844585478 /nfs/dbraw/zinc/58/54/78/844585478.db2.gz FJTJGYNXPQWDMA-IBGZPJMESA-N 0 0 379.460 3.788 10 0 GHAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)n1 ZINC000408115401 840960935 /nfs/dbraw/zinc/96/09/35/840960935.db2.gz NHFGRFOQXSBCGH-SNVBAGLBSA-N 0 0 392.880 3.951 10 0 GHAERN Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000107098318 841182366 /nfs/dbraw/zinc/18/23/66/841182366.db2.gz QUTNIIWVVBVJPL-GOSISDBHSA-N 0 0 391.519 3.611 10 0 GHAERN O=C(c1[nH]c2ccccc2c1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119808979 841230104 /nfs/dbraw/zinc/23/01/04/841230104.db2.gz XZIUPGFGQRDMJG-SGTLLEGYSA-N 0 0 377.282 3.698 10 0 GHAERN CC(C)N(CCCOC(=O)/C=C\c1cnc2ccccc2n1)CC(F)(F)F ZINC000588411865 841391118 /nfs/dbraw/zinc/39/11/18/841391118.db2.gz FQQPXYVWLBAAHK-HJWRWDBZSA-N 0 0 381.398 3.849 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000588433861 842432204 /nfs/dbraw/zinc/43/22/04/842432204.db2.gz KDDUZTQORYXUFM-PLNGDYQASA-N 0 0 398.425 3.934 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)no1 ZINC000329373054 861340995 /nfs/dbraw/zinc/34/09/95/861340995.db2.gz KMZNEPZUQPFSDX-OCCSQVGLSA-N 0 0 392.868 3.848 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H](c3nnc[nH]3)C2)cc(C)c1Br ZINC000408366089 842893388 /nfs/dbraw/zinc/89/33/88/842893388.db2.gz KNAJNUCMLYDHQG-GFCCVEGCSA-N 0 0 378.274 3.596 10 0 GHAERN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@@H]2CCC[C@H]21 ZINC000330257039 842907289 /nfs/dbraw/zinc/90/72/89/842907289.db2.gz QLJSGPQZHLAAPA-WCQYABFASA-N 0 0 389.546 3.520 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000162336708 843237764 /nfs/dbraw/zinc/23/77/64/843237764.db2.gz NZFVXNZHIPRXOO-UHFFFAOYSA-N 0 0 395.425 3.733 10 0 GHAERN CC(C)c1nn(C)c2sc(C(=O)N3CCC(Cc4nccn4C)CC3)cc12 ZINC000162580004 843278341 /nfs/dbraw/zinc/27/83/41/843278341.db2.gz IAQWWNMQKRFUFU-UHFFFAOYSA-N 0 0 385.537 3.587 10 0 GHAERN C[C@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)c1nccs1 ZINC000588450799 843280331 /nfs/dbraw/zinc/28/03/31/843280331.db2.gz KBIDDBWNSLKLRY-DHHDDZJSSA-N 0 0 387.324 3.599 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000329425296 861403229 /nfs/dbraw/zinc/40/32/29/861403229.db2.gz GTCSALWSIXUHHI-UYAOXDASSA-N 0 0 394.519 3.568 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000588454721 843338756 /nfs/dbraw/zinc/33/87/56/843338756.db2.gz AEFGXKGCKPMECN-HSNDNRACSA-N 0 0 378.476 3.606 10 0 GHAERN O=C(Nc1cccc2cccnc21)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112383714 843348923 /nfs/dbraw/zinc/34/89/23/843348923.db2.gz VTGFFVQBUUUATB-UHFFFAOYSA-N 0 0 380.473 3.676 10 0 GHAERN O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC(n2cncn2)CC1 ZINC000112195958 843349566 /nfs/dbraw/zinc/34/95/66/843349566.db2.gz NYIHDWGNIXTIFI-UHFFFAOYSA-N 0 0 384.386 3.826 10 0 GHAERN COc1ccccc1/C(C)=C/C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306956 843352061 /nfs/dbraw/zinc/35/20/61/843352061.db2.gz SXKGIOZVSRJTTC-FOCLMDBBSA-N 0 0 384.501 3.535 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2sccc2-n2cccc2)CC1 ZINC000112307599 843352290 /nfs/dbraw/zinc/35/22/90/843352290.db2.gz HXXBVYUQADWXIY-UHFFFAOYSA-N 0 0 385.514 3.589 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cc(Cl)cc3cccnc32)CC1 ZINC000112307573 843352373 /nfs/dbraw/zinc/35/23/73/843352373.db2.gz SKLLPXHCYZUNRE-UHFFFAOYSA-N 0 0 399.903 3.938 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000588455105 843352795 /nfs/dbraw/zinc/35/27/95/843352795.db2.gz XUSOOHPUQMHGAZ-VURMDHGXSA-N 0 0 385.880 3.975 10 0 GHAERN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000112634954 843356558 /nfs/dbraw/zinc/35/65/58/843356558.db2.gz JMOQIPSSPYMUMO-ZDUSSCGKSA-N 0 0 376.913 3.812 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4C[C@@H](C)CC(C)(C)C4)n3)ccn2)CC1 ZINC000329447755 861441978 /nfs/dbraw/zinc/44/19/78/861441978.db2.gz BWWQVTVONZYHNP-CRAIPNDOSA-N 0 0 397.523 3.730 10 0 GHAERN C/C=C\c1ccc(OCC(=O)Nc2ccc(F)cc2C(=O)N(C)C)c(OC)c1 ZINC000588474770 844650751 /nfs/dbraw/zinc/65/07/51/844650751.db2.gz INMPCPGWRBBDQI-WAYWQWQTSA-N 0 0 386.423 3.587 10 0 GHAERN O=C(NCc1nc2c(s1)C[C@H](c1ccccc1)CC2)N[C@H]1CCCC[C@H]1O ZINC000332920594 844655864 /nfs/dbraw/zinc/65/58/64/844655864.db2.gz OZMMWMLYYUOQHS-SOLBZPMBSA-N 0 0 385.533 3.518 10 0 GHAERN COc1cc(/C=C/C(=O)NCc2nnc(-c3ccccc3)s2)cc(OC)c1 ZINC000151088463 845146614 /nfs/dbraw/zinc/14/66/14/845146614.db2.gz VQFQNCKXAIJTFK-CMDGGOBGSA-N 0 0 381.457 3.552 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000248984529 845485896 /nfs/dbraw/zinc/48/58/96/845485896.db2.gz UTKHHXHMCIAFGE-GHJWDPDVSA-N 0 0 397.397 3.879 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000151776504 845705388 /nfs/dbraw/zinc/70/53/88/845705388.db2.gz CVVVCKJJNYPCFD-MAUKXSAKSA-N 0 0 393.487 3.997 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)C2)cc1 ZINC000152278390 846525908 /nfs/dbraw/zinc/52/59/08/846525908.db2.gz AKXJQEROWDLOSJ-LPHOPBHVSA-N 0 0 395.503 3.736 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000588511654 846832564 /nfs/dbraw/zinc/83/25/64/846832564.db2.gz JFUMJFNUWFFKMT-RTYFKUQISA-N 0 0 375.465 3.516 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(Cc2cccc(F)c2)CCC1 ZINC000588513461 846895613 /nfs/dbraw/zinc/89/56/13/846895613.db2.gz NPSJYIPBIWGLPQ-PLNGDYQASA-N 0 0 376.472 3.736 10 0 GHAERN CC(C)Cn1nc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c2ccccc2c1=O ZINC000333571988 847416881 /nfs/dbraw/zinc/41/68/81/847416881.db2.gz YFDZTYJWYMJGCO-QCWPFBFRSA-N 0 0 379.504 3.561 10 0 GHAERN COc1ccc(OC(F)F)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153440950 848504899 /nfs/dbraw/zinc/50/48/99/848504899.db2.gz CQMGPZIFHWZRAL-MRXNPFEDSA-N 0 0 382.363 3.803 10 0 GHAERN Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@]4(CCOC4)C3)cc2)cs1 ZINC000153589721 848697331 /nfs/dbraw/zinc/69/73/31/848697331.db2.gz QNKTXIWARGDGAU-XBGMYJNYSA-N 0 0 384.501 3.683 10 0 GHAERN C[C@@H](NC(=O)/C=C\SCc1ccco1)C1CCN(CC(F)(F)F)CC1 ZINC000588562672 848830648 /nfs/dbraw/zinc/83/06/48/848830648.db2.gz XEJACGFPYKYTRG-AGEOTTOMSA-N 0 0 376.444 3.806 10 0 GHAERN CS(=O)(=O)c1cc(NC(=O)/C=C\c2ccnc3ccccc23)ccc1Cl ZINC000588564671 848881111 /nfs/dbraw/zinc/88/11/11/848881111.db2.gz IVDPBMDQEFODCF-TWGQIWQCSA-N 0 0 386.860 3.944 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1)C1CC1 ZINC000154167596 849199407 /nfs/dbraw/zinc/19/94/07/849199407.db2.gz DJAZBNQIMVNTQR-NRFANRHFSA-N 0 0 397.475 3.704 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1)C(C)C ZINC000154131832 849202874 /nfs/dbraw/zinc/20/28/74/849202874.db2.gz VOPJREZYVUTPDD-OAQYLSRUSA-N 0 0 399.491 3.950 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(N4CCSCC4)cc3)CCO2)o1 ZINC000154227262 849222865 /nfs/dbraw/zinc/22/28/65/849222865.db2.gz MADWYXATKKESBJ-IBGZPJMESA-N 0 0 387.505 3.747 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C)nc3Br)CCO2)o1 ZINC000154648236 849353928 /nfs/dbraw/zinc/35/39/28/849353928.db2.gz CWYINLGFQLMGSX-CQSZACIVSA-N 0 0 380.242 3.659 10 0 GHAERN COc1cccc(C=CC(=O)Nc2c[nH]nc2-c2ccccn2)c1OC(F)F ZINC000155545557 849552265 /nfs/dbraw/zinc/55/22/65/849552265.db2.gz MNVIXIZQDXCHPY-CMDGGOBGSA-N 0 0 386.358 3.734 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000155566565 849565966 /nfs/dbraw/zinc/56/59/66/849565966.db2.gz PZGVFSHNJAIYOO-XMMPIXPASA-N 0 0 399.494 3.901 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000329699382 862104176 /nfs/dbraw/zinc/10/41/76/862104176.db2.gz ZBQCHMLGZSESNG-SVFBPWRDSA-N 0 0 396.535 3.938 10 0 GHAERN COc1ccc(SCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000101532014 851646199 /nfs/dbraw/zinc/64/61/99/851646199.db2.gz PCQFSIKMBGMEDG-UHFFFAOYSA-N 0 0 386.448 3.940 10 0 GHAERN O=C(CSCc1coc(-c2cccc(F)c2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000101584995 851693394 /nfs/dbraw/zinc/69/33/94/851693394.db2.gz PAIBQQOWRLKOAA-MSOLQXFVSA-N 0 0 390.480 3.884 10 0 GHAERN Cc1nc([C@H]2CCCN(S(=O)(=O)c3cccc4cnccc43)C2)sc1C ZINC000329735874 862274675 /nfs/dbraw/zinc/27/46/75/862274675.db2.gz LCPNRIQLNBVOSU-INIZCTEOSA-N 0 0 387.530 3.876 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(Oc2ccccc2)cc1 ZINC000101614364 851754171 /nfs/dbraw/zinc/75/41/71/851754171.db2.gz NZEHXUKMDUDTPJ-UHFFFAOYSA-N 0 0 378.476 3.871 10 0 GHAERN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000334015642 853322413 /nfs/dbraw/zinc/32/24/13/853322413.db2.gz YPEVETSAHYTFLM-JZXOWHBKSA-N 0 0 380.419 3.867 10 0 GHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164680590 853701248 /nfs/dbraw/zinc/70/12/48/853701248.db2.gz UDXGKJRJTFIMNZ-QAPCUYQASA-N 0 0 383.879 3.504 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000334055900 853853565 /nfs/dbraw/zinc/85/35/65/853853565.db2.gz VDYRBZXRGBVZEA-JNEKLRAESA-N 0 0 387.568 3.778 10 0 GHAERN CC[C@H]1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCO1 ZINC000330066976 862548291 /nfs/dbraw/zinc/54/82/91/862548291.db2.gz FEANODRICARQGX-CROMWVBPSA-N 0 0 395.503 3.822 10 0 GHAERN C[C@@H](NC(=O)N1CCN(C(=O)C(C)(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000123344192 854327656 /nfs/dbraw/zinc/32/76/56/854327656.db2.gz OPGJWEWEPXGNDJ-CYBMUJFWSA-N 0 0 385.430 3.666 10 0 GHAERN O=C([C@@H]1CCCc2sccc21)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 ZINC000328834496 854568778 /nfs/dbraw/zinc/56/87/78/854568778.db2.gz SAZLEYFWFRROIO-SJORKVTESA-N 0 0 395.484 3.818 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cc2)cc1 ZINC000328957388 854616043 /nfs/dbraw/zinc/61/60/43/854616043.db2.gz NYFMKZIBPAIWOE-RTWAWAEBSA-N 0 0 381.476 3.724 10 0 GHAERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000328907360 854617280 /nfs/dbraw/zinc/61/72/80/854617280.db2.gz LLSNCXFIULOAHW-UFYCRDLUSA-N 0 0 378.520 3.904 10 0 GHAERN CCn1cc(C2CCN(c3ccnc(N[C@@H]4CCCO[C@@H]4C(C)C)n3)CC2)cn1 ZINC000330120228 862591418 /nfs/dbraw/zinc/59/14/18/862591418.db2.gz GFFGJXGIHOFYLA-TZIWHRDSSA-N 0 0 398.555 3.693 10 0 GHAERN Cc1noc(CCNC(=O)[C@H](Sc2ccc(F)cc2F)c2ccccc2)n1 ZINC000105957072 855157221 /nfs/dbraw/zinc/15/72/21/855157221.db2.gz AJRCTFFPAMGISW-GOSISDBHSA-N 0 0 389.427 3.849 10 0 GHAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000330198162 862656159 /nfs/dbraw/zinc/65/61/59/862656159.db2.gz SWIADEXFDPEXGA-YJBOKZPZSA-N 0 0 392.521 3.547 10 0 GHAERN C[C@H](NC(=O)N(C)C1CCC(C)(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000130513128 855309546 /nfs/dbraw/zinc/30/95/46/855309546.db2.gz ASJKUVIWLGNVFW-ZDUSSCGKSA-N 0 0 384.517 3.900 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000190022391 855407590 /nfs/dbraw/zinc/40/75/90/855407590.db2.gz SBNCZKZZWPADNL-MOPGFXCFSA-N 0 0 383.492 3.877 10 0 GHAERN Cc1cn2c(ncc(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)c2=O)s1 ZINC000180025505 855412235 /nfs/dbraw/zinc/41/22/35/855412235.db2.gz IROVEUWSOBOGTM-INIZCTEOSA-N 0 0 395.484 3.631 10 0 GHAERN Cc1cc2cc(C(=O)N[C@H](C)C(=O)N3CCCCC3)oc2c(Br)c1 ZINC000183196637 855747348 /nfs/dbraw/zinc/74/73/48/855747348.db2.gz KEHAZEBZEFGOFF-GFCCVEGCSA-N 0 0 393.281 3.635 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)CCO1 ZINC000183404340 855780768 /nfs/dbraw/zinc/78/07/68/855780768.db2.gz CIRZHQPIYLZHDI-QILLFSRXSA-N 0 0 376.522 3.590 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000194018832 855944625 /nfs/dbraw/zinc/94/46/25/855944625.db2.gz FDWDCGCIBHFDKL-LLVKDONJSA-N 0 0 399.438 3.754 10 0 GHAERN Cc1ccc(-n2nnnc2SCC2CCN(C(=O)CC(C)C)CC2)cc1C ZINC000184979880 856167696 /nfs/dbraw/zinc/16/76/96/856167696.db2.gz ABOFFAHILVNTDL-UHFFFAOYSA-N 0 0 387.553 3.656 10 0 GHAERN CCCN(CCC)C(=O)c1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000105005995 856459650 /nfs/dbraw/zinc/45/96/50/856459650.db2.gz RTZFJJOGHAEDSI-NRFANRHFSA-N 0 0 397.519 3.674 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC(C)(C)O1 ZINC000128771456 856506053 /nfs/dbraw/zinc/50/60/53/856506053.db2.gz DLSHFHVWSOHPQN-SNVBAGLBSA-N 0 0 384.267 3.605 10 0 GHAERN O=C(Nc1ccc2n[nH]cc2c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000130608351 857499240 /nfs/dbraw/zinc/49/92/40/857499240.db2.gz YRGHUPRJVVJYDR-PBVNKPPYSA-N 0 0 392.503 3.709 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000172607945 858391253 /nfs/dbraw/zinc/39/12/53/858391253.db2.gz PWPVABMXHMGNFC-NRFANRHFSA-N 0 0 379.508 3.994 10 0 GHAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)NC1=O ZINC000130133876 859452808 /nfs/dbraw/zinc/45/28/08/859452808.db2.gz YDFDUVDINSANPE-KBXCAEBGSA-N 0 0 392.455 3.972 10 0 GHAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272322595 859612484 /nfs/dbraw/zinc/61/24/84/859612484.db2.gz ISWOOUMZAWVNQB-QZTJIDSGSA-N 0 0 395.507 3.602 10 0 GHAERN O=C(N[C@H]1CCc2c1cccc2F)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272410566 859680996 /nfs/dbraw/zinc/68/09/96/859680996.db2.gz FKDQUMYQOBZEKD-ROUUACIJSA-N 0 0 383.471 3.678 10 0 GHAERN COc1ccccc1-c1noc(CSc2nncn2-c2ccccc2C)n1 ZINC000011152667 860052208 /nfs/dbraw/zinc/05/22/08/860052208.db2.gz NZLAGBKQBXTXCA-UHFFFAOYSA-N 0 0 379.445 3.927 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)Nc3nc4c(s3)CCCCC4)C2)no1 ZINC000171445088 860425881 /nfs/dbraw/zinc/42/58/81/860425881.db2.gz FQRSVQUMOPIHIJ-ZDUSSCGKSA-N 0 0 375.498 3.590 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cc(F)cc3c1OCOC3)CCC2 ZINC000171906688 860430334 /nfs/dbraw/zinc/43/03/34/860430334.db2.gz SPIZFCSIKVDLFN-INIZCTEOSA-N 0 0 391.468 3.676 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000252353373 860431932 /nfs/dbraw/zinc/43/19/32/860431932.db2.gz WVMNZTBAUWQJFM-HZPDHXFCSA-N 0 0 390.915 3.826 10 0 GHAERN CC(C)c1nc(C2(NCC(=O)N3c4ccccc4CC[C@@H]3C)CCCC2)no1 ZINC000174243946 860446793 /nfs/dbraw/zinc/44/67/93/860446793.db2.gz BMXUFVYYVPKTET-INIZCTEOSA-N 0 0 382.508 3.920 10 0 GHAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CCO2)[nH]1 ZINC000173085601 860748906 /nfs/dbraw/zinc/74/89/06/860748906.db2.gz GCEUXEHFUMVVKM-GJZGRUSLSA-N 0 0 388.537 3.539 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3nc(SC)n4ccccc34)n2)c1 ZINC000102910813 860898947 /nfs/dbraw/zinc/89/89/47/860898947.db2.gz QNLDPVGSUYMECS-UHFFFAOYSA-N 0 0 397.485 3.836 10 0 GHAERN Cc1ccc(-c2noc([C@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020962 860952398 /nfs/dbraw/zinc/95/23/98/860952398.db2.gz HVNSFSYZYMNMGT-WFASDCNBSA-N 0 0 383.427 3.995 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000329079213 861000107 /nfs/dbraw/zinc/00/01/07/861000107.db2.gz BXTVCOJVDZQBRS-QFBILLFUSA-N 0 0 390.405 3.927 10 0 GHAERN CCCOc1cn(-c2ccccc2)nc1C(=O)NCCCc1nc(C(C)C)no1 ZINC000103076751 863886143 /nfs/dbraw/zinc/88/61/43/863886143.db2.gz QBUHVUOLMIEVAJ-UHFFFAOYSA-N 0 0 397.479 3.530 10 0 GHAERN COc1cccc(CNC(=O)c2occc2CN2c3ccccc3C[C@H]2C)n1 ZINC000103077538 863887306 /nfs/dbraw/zinc/88/73/06/863887306.db2.gz YSNWAMBLTQRCCJ-OAHLLOKOSA-N 0 0 377.444 3.564 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000103619197 864034097 /nfs/dbraw/zinc/03/40/97/864034097.db2.gz PGEHERCLUZSQOI-OAQYLSRUSA-N 0 0 395.503 3.613 10 0 GHAERN Cc1ccc(-n2ccnc2S(=O)(=O)[C@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000103620614 864044287 /nfs/dbraw/zinc/04/42/87/864044287.db2.gz ICHTWDDIVCZDIL-CQSZACIVSA-N 0 0 388.493 3.705 10 0 GHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103750036 864081083 /nfs/dbraw/zinc/08/10/83/864081083.db2.gz OZKCRJMKKCPVOX-LLVKDONJSA-N 0 0 376.247 3.802 10 0 GHAERN Cc1csc(-c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)cc2)n1 ZINC000103785825 864092170 /nfs/dbraw/zinc/09/21/70/864092170.db2.gz RAWRMDQIEYDTIH-UHFFFAOYSA-N 0 0 396.863 4.000 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000101609508 864333636 /nfs/dbraw/zinc/33/36/36/864333636.db2.gz BMLJSWOHTDIKIE-UHFFFAOYSA-N 0 0 384.402 3.986 10 0 GHAERN O=S(=O)(c1ccccc1NCc1nnc(-c2ccccc2)s1)C(F)F ZINC000301634234 865469080 /nfs/dbraw/zinc/46/90/80/865469080.db2.gz KFAFQLMGBQRWEJ-UHFFFAOYSA-N 0 0 381.429 3.814 10 0 GHAERN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCc1cccc(OC)n1 ZINC000102013722 866597774 /nfs/dbraw/zinc/59/77/74/866597774.db2.gz PBFGAFIWPNOYSX-SFHVURJKSA-N 0 0 379.464 3.507 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000109674034 866600871 /nfs/dbraw/zinc/60/08/71/866600871.db2.gz YOMQWEBSUUJZMS-WOJBJXKFSA-N 0 0 383.492 3.572 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1)C1CCCCC1 ZINC000151089248 866689989 /nfs/dbraw/zinc/68/99/89/866689989.db2.gz QYHZXJZUPYIACT-CVDCTZTESA-N 0 0 384.520 3.973 10 0 GHAERN O=C(NCc1ccc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1)C1CCCC1 ZINC000113888929 866760706 /nfs/dbraw/zinc/76/07/06/866760706.db2.gz YEHFBIGYHQZURL-HXUWFJFHSA-N 0 0 380.492 3.584 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)ccc1OC(C)C ZINC000114742139 866769484 /nfs/dbraw/zinc/76/94/84/866769484.db2.gz GAOIJFCYLIGAMK-HNNXBMFYSA-N 0 0 380.535 3.807 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCCC1)CC2 ZINC000114872728 866775133 /nfs/dbraw/zinc/77/51/33/866775133.db2.gz GAIBTVTTXZVASV-QGZVFWFLSA-N 0 0 386.927 3.827 10 0 GHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c2ccccc2O1 ZINC000151404811 867436569 /nfs/dbraw/zinc/43/65/69/867436569.db2.gz LUOFYNOSHUEAAZ-DKICVRJWSA-N 0 0 376.522 3.643 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000171283526 882093179 /nfs/dbraw/zinc/09/31/79/882093179.db2.gz KNSAXLPGJMIDCD-NRFANRHFSA-N 0 0 385.552 3.832 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151501426 867678363 /nfs/dbraw/zinc/67/83/63/867678363.db2.gz ACSABQCLJKOYLL-YJYMSZOUSA-N 0 0 394.302 3.946 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(Cc3ccccn3)CC2)cc(OC)c1OC ZINC000171609873 882145948 /nfs/dbraw/zinc/14/59/48/882145948.db2.gz LVOMTQSPHVVQGM-BQYQJAHWSA-N 0 0 396.487 3.602 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1cccs1 ZINC000172079671 882166791 /nfs/dbraw/zinc/16/67/91/882166791.db2.gz JZXYYTFSJWYEJO-OAHLLOKOSA-N 0 0 383.521 3.658 10 0 GHAERN O=C(c1cccs1)N1CCCN(C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829653 882164513 /nfs/dbraw/zinc/16/45/13/882164513.db2.gz KPZYPDIWPGDOMI-INIZCTEOSA-N 0 0 398.450 3.648 10 0 GHAERN COc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000172229998 882189873 /nfs/dbraw/zinc/18/98/73/882189873.db2.gz BUYDZGDNHFHXJU-GOEBONIOSA-N 0 0 389.521 3.681 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2cccs2)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172454748 882277752 /nfs/dbraw/zinc/27/77/52/882277752.db2.gz VUFXGIFFVRWWNB-MJGOQNOKSA-N 0 0 393.468 3.780 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000172636296 882281509 /nfs/dbraw/zinc/28/15/09/882281509.db2.gz CVBZECZGOUALBM-UXHICEINSA-N 0 0 398.478 3.596 10 0 GHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172644376 882282621 /nfs/dbraw/zinc/28/26/21/882282621.db2.gz NAGJFSBDBAJCHS-NSHDSACASA-N 0 0 375.354 3.558 10 0 GHAERN Cc1ncc(-c2ccc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)cc2)o1 ZINC000172734792 882304659 /nfs/dbraw/zinc/30/46/59/882304659.db2.gz NPZNJNOXIXCRRD-UHFFFAOYSA-N 0 0 390.443 3.536 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172777216 882306853 /nfs/dbraw/zinc/30/68/53/882306853.db2.gz YRLROKKAZNNJLR-SFHVURJKSA-N 0 0 390.443 3.734 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccs1 ZINC000172790351 882307880 /nfs/dbraw/zinc/30/78/80/882307880.db2.gz UNILVESOTBMPGU-SFHVURJKSA-N 0 0 385.533 3.899 10 0 GHAERN CC(C)n1ncc2ccc(NC(=O)[C@H]3CCCCN3C(=O)c3cccnc3)cc21 ZINC000172912543 882323278 /nfs/dbraw/zinc/32/32/78/882323278.db2.gz VKUPNOIPOTTYCN-LJQANCHMSA-N 0 0 391.475 3.646 10 0 GHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c(F)c1 ZINC000172918190 882323616 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GHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000195086425 870537995 /nfs/dbraw/zinc/53/79/95/870537995.db2.gz PLHLDTTYQQGSBQ-QGZVFWFLSA-N 0 0 377.444 3.698 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000056762176 870584872 /nfs/dbraw/zinc/58/48/72/870584872.db2.gz UUWWDIVUVYQGKL-SJLPKXTDSA-N 0 0 399.457 3.804 10 0 GHAERN O=C(c1cncc(Br)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174078193 882422674 /nfs/dbraw/zinc/42/26/74/882422674.db2.gz TXRVFVUWVUCWDW-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCC(Nc2ccccc2F)CC1 ZINC000174077925 882422792 /nfs/dbraw/zinc/42/27/92/882422792.db2.gz OYTDAFBRDMIURR-MDZDMXLPSA-N 0 0 376.435 3.885 10 0 GHAERN COc1cc(OC)c(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1OC ZINC000174092513 882425736 /nfs/dbraw/zinc/42/57/36/882425736.db2.gz UAAGOCRNJUQGOJ-UHFFFAOYSA-N 0 0 388.439 3.568 10 0 GHAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114809086 870628739 /nfs/dbraw/zinc/62/87/39/870628739.db2.gz 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ZINC000174550850 882478909 /nfs/dbraw/zinc/47/89/09/882478909.db2.gz LGHGNAWBSIEZAK-MRXNPFEDSA-N 0 0 394.475 3.697 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@@H](c3nccs3)C2)cccc1N1CCOC1=O ZINC000174553935 882480397 /nfs/dbraw/zinc/48/03/97/882480397.db2.gz MNVKZPRQLMNKNB-CQSZACIVSA-N 0 0 386.477 3.820 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000174920417 882508350 /nfs/dbraw/zinc/50/83/50/882508350.db2.gz RMSJFMBNNFILTJ-XLNAKTSKSA-N 0 0 377.469 3.772 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C(C)C)c3)CC2)nc1 ZINC000174828354 882529941 /nfs/dbraw/zinc/52/99/41/882529941.db2.gz NQILQQLHZLUZGL-UHFFFAOYSA-N 0 0 395.507 3.775 10 0 GHAERN c1nn(-c2ccccc2)nc1COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1 ZINC000103351865 871760562 /nfs/dbraw/zinc/76/05/62/871760562.db2.gz HUEUKSYXSTWPHO-IBGZPJMESA-N 0 0 389.415 3.748 10 0 GHAERN COc1cc(CN2CC=C(c3cccs3)CC2)cc(Cl)c1OCC(N)=O ZINC000093533742 882554332 /nfs/dbraw/zinc/55/43/32/882554332.db2.gz OVSGQINFKVZBQR-UHFFFAOYSA-N 0 0 392.908 3.564 10 0 GHAERN O=C(/C=C/c1ccccc1Br)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175482150 882585740 /nfs/dbraw/zinc/58/57/40/882585740.db2.gz XPOHDVLNTPCUET-OZSKJFCKSA-N 0 0 394.309 3.649 10 0 GHAERN CCN(Cc1ccccc1NC(=O)c1ccc2nncn2c1)C(=O)OC(C)(C)C ZINC000101857235 872326629 /nfs/dbraw/zinc/32/66/29/872326629.db2.gz LMVALUFZIFWBCW-UHFFFAOYSA-N 0 0 395.463 3.739 10 0 GHAERN O=C(Nc1ccccc1CN1CCSCC1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000175791305 882628453 /nfs/dbraw/zinc/62/84/53/882628453.db2.gz JHNYKZUOGHCQRN-VQTJNVASSA-N 0 0 399.564 3.737 10 0 GHAERN CC(C)(CNC(=O)[C@@H]1CCCn2ccnc21)c1ccc(Br)cc1 ZINC000176028793 882660031 /nfs/dbraw/zinc/66/00/31/882660031.db2.gz HDMUEXGFNZXXCH-OAHLLOKOSA-N 0 0 376.298 3.617 10 0 GHAERN O=C(NC[C@@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 ZINC000115628364 873124744 /nfs/dbraw/zinc/12/47/44/873124744.db2.gz QIJSUTOLEDIKIV-SFHVURJKSA-N 0 0 382.529 3.837 10 0 GHAERN CCCc1noc(CCCC(=O)Oc2ccc(Br)cc2C(C)=O)n1 ZINC000102711174 873472149 /nfs/dbraw/zinc/47/21/49/873472149.db2.gz XRBPMNVGOFBSRB-UHFFFAOYSA-N 0 0 395.253 3.916 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)cc(Cl)c1OC ZINC000176833027 882740097 /nfs/dbraw/zinc/74/00/97/882740097.db2.gz GVGSVGBOCJOYDN-RTRPANQVSA-N 0 0 377.824 3.564 10 0 GHAERN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000018008626 873637404 /nfs/dbraw/zinc/63/74/04/873637404.db2.gz BQNDCRXRHNKWRF-UHFFFAOYSA-N 0 0 388.870 3.990 10 0 GHAERN O=C(Nc1ccc(CC(F)(F)F)cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177504369 882808825 /nfs/dbraw/zinc/80/88/25/882808825.db2.gz RBQBTEQUWJKREW-ZDUSSCGKSA-N 0 0 397.422 3.593 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(C)Cc3nc4c(s3)CCCC4)CC2)n1 ZINC000177520681 882810673 /nfs/dbraw/zinc/81/06/73/882810673.db2.gz YLJCQOHMMRJQDP-UHFFFAOYSA-N 0 0 399.564 3.536 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000177287435 882816281 /nfs/dbraw/zinc/81/62/81/882816281.db2.gz YVNOKMJOXKEJDL-INIZCTEOSA-N 0 0 389.459 3.660 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178304771 882884370 /nfs/dbraw/zinc/88/43/70/882884370.db2.gz CLSSIOSXVZLSLP-PKOBYXMFSA-N 0 0 384.888 3.781 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000119424531 875242722 /nfs/dbraw/zinc/24/27/22/875242722.db2.gz ADVUZFGGEUIWBC-BEFAXECRSA-N 0 0 394.450 3.516 10 0 GHAERN CC(C)(C)Oc1ccncc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178677838 882930611 /nfs/dbraw/zinc/93/06/11/882930611.db2.gz AJBCRJVACFYZEA-UHFFFAOYSA-N 0 0 399.466 3.889 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)C1CCN(C(=O)c2cccs2)CC1 ZINC000179376751 882966125 /nfs/dbraw/zinc/96/61/25/882966125.db2.gz UQGMAONEYCRRTQ-GOSISDBHSA-N 0 0 386.492 3.933 10 0 GHAERN C[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1cccc(F)c1F ZINC000179348607 882993175 /nfs/dbraw/zinc/99/31/75/882993175.db2.gz NCJYNVVFUWSDAP-HNNXBMFYSA-N 0 0 393.478 3.850 10 0 GHAERN Cc1cc(NC(=O)c2cccc(CN3CCCC3=O)c2)nn1-c1cccc(F)c1 ZINC000180135174 883023253 /nfs/dbraw/zinc/02/32/53/883023253.db2.gz FIGWMUMFCGFNLA-UHFFFAOYSA-N 0 0 392.434 3.695 10 0 GHAERN CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000179864324 883035330 /nfs/dbraw/zinc/03/53/30/883035330.db2.gz HRXUOYYWNRRXQB-UHFFFAOYSA-N 0 0 399.512 3.807 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000179940974 883039172 /nfs/dbraw/zinc/03/91/72/883039172.db2.gz KMIGSLZSDMBKSD-PZJWPPBQSA-N 0 0 375.472 3.906 10 0 GHAERN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1sc2ccccc2c1Cl ZINC000121130993 876561171 /nfs/dbraw/zinc/56/11/71/876561171.db2.gz SIXMWCICRXBQGT-LBPRGKRZSA-N 0 0 385.876 3.594 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180214419 883067162 /nfs/dbraw/zinc/06/71/62/883067162.db2.gz NSHWJSAINGRAIQ-KBPBESRZSA-N 0 0 384.423 3.992 10 0 GHAERN C[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000180554610 883080061 /nfs/dbraw/zinc/08/00/61/883080061.db2.gz QGHGYKFHYYDMFL-HNNXBMFYSA-N 0 0 387.911 3.764 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccccc3)cnc21 ZINC000180848035 883103613 /nfs/dbraw/zinc/10/36/13/883103613.db2.gz MZEQEBBUHKGXOL-GOSISDBHSA-N 0 0 376.460 3.626 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCCCC[C@H]3CC(=O)c3ccccc3)cnc21 ZINC000180848052 883103820 /nfs/dbraw/zinc/10/38/20/883103820.db2.gz MZEQEBBUHKGXOL-SFHVURJKSA-N 0 0 376.460 3.626 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000153422238 878265696 /nfs/dbraw/zinc/26/56/96/878265696.db2.gz NMPHAJNWOPVXIS-IAQYHMDHSA-N 0 0 381.373 3.866 10 0 GHAERN O[C@]12CCCC[C@@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000093585066 878814819 /nfs/dbraw/zinc/81/48/19/878814819.db2.gz YDAUWMQEOOCMEY-BEFAXECRSA-N 0 0 390.325 3.966 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000122550061 879066091 /nfs/dbraw/zinc/06/60/91/879066091.db2.gz DEVYOQPOEWXHCC-HNAYVOBHSA-N 0 0 381.476 3.741 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H]4[C@@H]4COCC[C@@]4(C)O)cc3c2C1 ZINC000285448462 879306738 /nfs/dbraw/zinc/30/67/38/879306738.db2.gz 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CCC(CC)[C@H]1C[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000183470589 883267601 /nfs/dbraw/zinc/26/76/01/883267601.db2.gz ZQOGSLSOVMZTSC-ZWKOTPCHSA-N 0 0 392.565 3.700 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184012297 883298290 /nfs/dbraw/zinc/29/82/90/883298290.db2.gz YMRMKMONLZLDQB-OPAMFIHVSA-N 0 0 397.494 3.940 10 0 GHAERN CCN(C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)[C@H](C)c1cccnc1 ZINC000184014267 883298351 /nfs/dbraw/zinc/29/83/51/883298351.db2.gz ZDFRZCBYRLWXBC-QVKFZJNVSA-N 0 0 398.482 3.807 10 0 GHAERN CCC[C@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184039723 883302739 /nfs/dbraw/zinc/30/27/39/883302739.db2.gz PNYRJLBLRIYCJN-JXFKEZNVSA-N 0 0 375.488 3.841 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1C ZINC000184045379 883329561 /nfs/dbraw/zinc/32/95/61/883329561.db2.gz JNLUMZFEVFSILN-HNNXBMFYSA-N 0 0 376.844 3.917 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000184054689 883330699 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CC(=O)N1CC[C@H](NC(=O)c2cc(-c3ccccc3)no2)c2ccc(F)cc2C1 ZINC000185556373 883555799 /nfs/dbraw/zinc/55/57/99/883555799.db2.gz BWXRDXOWQYFUQB-IBGZPJMESA-N 0 0 393.418 3.704 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccc(F)cc2C1 ZINC000185559615 883556703 /nfs/dbraw/zinc/55/67/03/883556703.db2.gz AKOCWLUJXCSCGE-SFHVURJKSA-N 0 0 378.806 3.842 10 0 GHAERN CCOc1ccc(CCC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185564621 883557984 /nfs/dbraw/zinc/55/79/84/883557984.db2.gz LHMSDBNYMRHYNW-QFIPXVFZSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185568293 883558308 /nfs/dbraw/zinc/55/83/08/883558308.db2.gz LOWIPDPQRZRUBK-FGZHOGPDSA-N 0 0 380.463 3.929 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)n1 ZINC000185657181 883571824 /nfs/dbraw/zinc/57/18/24/883571824.db2.gz GFMZPVFUAPPATB-HOTGVXAUSA-N 0 0 389.421 3.696 10 0 GHAERN COc1ccc([C@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2nccn2C)cc1 ZINC000186327629 883632998 /nfs/dbraw/zinc/63/29/98/883632998.db2.gz UKFSFNDEGGCMEO-QFIPXVFZSA-N 0 0 393.487 3.664 10 0 GHAERN COc1ccccc1[C@H](N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000186289656 883636501 /nfs/dbraw/zinc/63/65/01/883636501.db2.gz FGRCMKVUWDLBEN-UWJYYQICSA-N 0 0 383.469 3.886 10 0 GHAERN COc1ccc(CCCN(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186574276 883664428 /nfs/dbraw/zinc/66/44/28/883664428.db2.gz MEDLIFIGAUDPEG-UHFFFAOYSA-N 0 0 382.464 3.769 10 0 GHAERN COCCN(CCCc1ccccc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186575119 883664500 /nfs/dbraw/zinc/66/45/00/883664500.db2.gz NWYUEYNWBBFBJF-UHFFFAOYSA-N 0 0 396.491 3.777 10 0 GHAERN CN1Cc2cc(NC(=O)NCCCCOCc3ccccc3)ccc2NC1=O ZINC000186591646 883667296 /nfs/dbraw/zinc/66/72/96/883667296.db2.gz CSJCHXKQIKJJAC-UHFFFAOYSA-N 0 0 382.464 3.782 10 0 GHAERN CO[C@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(Cl)c1 ZINC000186619104 883675102 /nfs/dbraw/zinc/67/51/02/883675102.db2.gz QIHKZHUMTORMDJ-QGZVFWFLSA-N 0 0 388.855 3.827 10 0 GHAERN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)cc1 ZINC000186690487 883687827 /nfs/dbraw/zinc/68/78/27/883687827.db2.gz QEGFDMHUYWWZNI-OAHLLOKOSA-N 0 0 380.448 3.694 10 0 GHAERN COc1ccc([C@H]2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)cc1 ZINC000186690465 883688132 /nfs/dbraw/zinc/68/81/32/883688132.db2.gz QEGFDMHUYWWZNI-HNNXBMFYSA-N 0 0 380.448 3.694 10 0 GHAERN COc1cc(C)c([C@H](C)OC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1C ZINC000186770295 883711509 /nfs/dbraw/zinc/71/15/09/883711509.db2.gz AQQJORVNJJZGDK-KRWDZBQOSA-N 0 0 396.487 3.864 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000186926520 883717416 /nfs/dbraw/zinc/71/74/16/883717416.db2.gz BEKVICRASIWCEH-OAHLLOKOSA-N 0 0 394.427 3.809 10 0 GHAERN CC(C)Oc1ccc(CC(=O)NCCCc2cc(N)n(-c3ccccc3)n2)cc1 ZINC000187462217 883791676 /nfs/dbraw/zinc/79/16/76/883791676.db2.gz LEIVXHAQUIIBBW-UHFFFAOYSA-N 0 0 392.503 3.533 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1cc(Br)cs1)[C@@H]2C ZINC000188740193 883865398 /nfs/dbraw/zinc/86/53/98/883865398.db2.gz ZZCCKFLBBKPLMU-SGUJLRQBSA-N 0 0 395.326 3.842 10 0 GHAERN COCc1cc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)ccc1F ZINC000188734202 883865622 /nfs/dbraw/zinc/86/56/22/883865622.db2.gz ONBZBEKPXXWGIM-UHFFFAOYSA-N 0 0 384.451 3.750 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)c2csc(-c3ccsc3)n2)n1 ZINC000188651676 883868965 /nfs/dbraw/zinc/86/89/65/883868965.db2.gz JBEJFDRWDFHZFE-CYBMUJFWSA-N 0 0 377.516 3.850 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000188694511 883870988 /nfs/dbraw/zinc/87/09/88/883870988.db2.gz VXXTYUJOTACIIM-HNNXBMFYSA-N 0 0 392.427 3.888 10 0 GHAERN CC(C)(C)OCc1cc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)no1 ZINC000188999331 883895623 /nfs/dbraw/zinc/89/56/23/883895623.db2.gz VQKGHGKPGFDDBD-CYBMUJFWSA-N 0 0 378.498 3.535 10 0 GHAERN COCCc1ccccc1NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000189462423 883944310 /nfs/dbraw/zinc/94/43/10/883944310.db2.gz GDXSLVHBAWSYNT-UXHICEINSA-N 0 0 396.487 3.686 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CC2(c3ccccc3)CC2)c2ccccc2F)no1 ZINC000189457921 883956960 /nfs/dbraw/zinc/95/69/60/883956960.db2.gz KPVSJSAGRHDGHB-IBGZPJMESA-N 0 0 394.450 3.980 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C[C@H]1C ZINC000189616348 883973380 /nfs/dbraw/zinc/97/33/80/883973380.db2.gz BDGBKFUHRCERBE-KOLCDFICSA-N 0 0 385.342 3.510 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)nc(C(F)(F)F)n1 ZINC000189885996 884005442 /nfs/dbraw/zinc/00/54/42/884005442.db2.gz RPAYCFUWARQOCL-UHFFFAOYSA-N 0 0 382.361 3.660 10 0 GHAERN CCO[C@H]1C[C@](NCc2ncc(-c3ccccc3Cl)o2)(C(=O)OC)C1(C)C ZINC000189825472 884014515 /nfs/dbraw/zinc/01/45/15/884014515.db2.gz JZVLLUIHKLULGE-JXFKEZNVSA-N 0 0 392.883 3.831 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189828851 884015233 /nfs/dbraw/zinc/01/52/33/884015233.db2.gz JEKDKMLELXAJKS-UHFFFAOYSA-N 0 0 379.456 3.753 10 0 GHAERN O=C(Cc1csc(-c2ccccn2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189845747 884015730 /nfs/dbraw/zinc/01/57/30/884015730.db2.gz RQZQNSTWEKDIJU-UHFFFAOYSA-N 0 0 391.496 3.843 10 0 GHAERN COCCn1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c2ccccc21 ZINC000189837885 884016450 /nfs/dbraw/zinc/01/64/50/884016450.db2.gz RIEBKFMYELQSCD-UHFFFAOYSA-N 0 0 390.483 3.996 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)C[C@H]1C ZINC000189902286 884021699 /nfs/dbraw/zinc/02/16/99/884021699.db2.gz ZNLPBWWPGOTERW-UXIGCNINSA-N 0 0 382.913 3.718 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000190130920 884048287 /nfs/dbraw/zinc/04/82/87/884048287.db2.gz ZZWIQJKHWHKQPB-RTBURBONSA-N 0 0 399.495 3.752 10 0 GHAERN COc1ccc(S[C@@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190425361 884080175 /nfs/dbraw/zinc/08/01/75/884080175.db2.gz PEXPGWMKEOZMGJ-ZDUSSCGKSA-N 0 0 377.535 3.735 10 0 GHAERN O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC(Nc2nccs2)CC1 ZINC000190431701 884080725 /nfs/dbraw/zinc/08/07/25/884080725.db2.gz SHGZYJQFLKYCHD-UHFFFAOYSA-N 0 0 387.896 3.903 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)NC2CCC3(CCCCC3)CC2)CC1 ZINC000190499985 884085654 /nfs/dbraw/zinc/08/56/54/884085654.db2.gz OOPLWALSLPIKBH-UHFFFAOYSA-N 0 0 387.524 3.845 10 0 GHAERN CC[C@]1(C)Oc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2O1 ZINC000190493111 884086323 /nfs/dbraw/zinc/08/63/23/884086323.db2.gz ILWRKUCMZACXNI-OAQYLSRUSA-N 0 0 384.480 3.804 10 0 GHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000190629785 884103846 /nfs/dbraw/zinc/10/38/46/884103846.db2.gz ZWHQDZYDXLZLFV-QUCCMNQESA-N 0 0 395.507 3.637 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000190661695 884107422 /nfs/dbraw/zinc/10/74/22/884107422.db2.gz QOYAGGIAKIOWIV-SFHVURJKSA-N 0 0 391.471 3.993 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000191078915 884150649 /nfs/dbraw/zinc/15/06/49/884150649.db2.gz PVKZLNKSTMZEOT-INIZCTEOSA-N 0 0 380.473 3.837 10 0 GHAERN O=C(NCc1ccc(-n2cccn2)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000191080201 884151113 /nfs/dbraw/zinc/15/11/13/884151113.db2.gz KUZSSKBDHIOUCT-UHFFFAOYSA-N 0 0 388.471 3.650 10 0 GHAERN CSc1ccc(Cl)c(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)c1 ZINC000191952777 884222383 /nfs/dbraw/zinc/22/23/83/884222383.db2.gz HPAIHFOYHXYHCV-UHFFFAOYSA-N 0 0 380.901 3.531 10 0 GHAERN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000192391736 884255849 /nfs/dbraw/zinc/25/58/49/884255849.db2.gz ARHDWRGAJKZBHA-MRXNPFEDSA-N 0 0 392.546 3.737 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N3CC=C(c4ccccc4)CC3)c(=O)[nH]c21 ZINC000192592776 884282927 /nfs/dbraw/zinc/28/29/27/884282927.db2.gz PTOIKYTXWPKRFT-CMDGGOBGSA-N 0 0 388.471 3.635 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCSc2c(F)cccc21 ZINC000193250482 884333536 /nfs/dbraw/zinc/33/35/36/884333536.db2.gz CEYBTAOKXRYZPY-CXAGYDPISA-N 0 0 385.464 3.788 10 0 GHAERN COc1ccc(Cl)c2c1N(C(=O)CCc1nc(-c3ccncc3)no1)CCC2 ZINC000102737559 884396097 /nfs/dbraw/zinc/39/60/97/884396097.db2.gz UUGPMAAIONKQCE-UHFFFAOYSA-N 0 0 398.850 3.706 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000102749621 884401392 /nfs/dbraw/zinc/40/13/92/884401392.db2.gz DPQGHORKTMLENB-UHFFFAOYSA-N 0 0 380.897 3.764 10 0 GHAERN CCOc1ccc(CN2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)cc1 ZINC000105309960 884705548 /nfs/dbraw/zinc/70/55/48/884705548.db2.gz VEJYTAPDBFDSLC-UHFFFAOYSA-N 0 0 394.849 3.975 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000105369892 884766718 /nfs/dbraw/zinc/76/67/18/884766718.db2.gz ABTVKZFUHDJVGV-HSZRJFAPSA-N 0 0 399.450 3.760 10 0 GHAERN Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2cccc(C)n2)c2ccccc2)cc1 ZINC000105596113 884819394 /nfs/dbraw/zinc/81/93/94/884819394.db2.gz DSMOPUDDYYOYLC-QFIPXVFZSA-N 0 0 387.483 3.876 10 0 GHAERN CC(C)CCc1noc(C[S@](=O)Cc2csc(Br)c2)n1 ZINC000105694091 884834142 /nfs/dbraw/zinc/83/41/42/884834142.db2.gz YEIBBRNHHCSBCS-FQEVSTJZSA-N 0 0 377.329 3.931 10 0 GHAERN COCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccncc1 ZINC000105734448 884846842 /nfs/dbraw/zinc/84/68/42/884846842.db2.gz QVRZLNVWUPKDRO-GFCCVEGCSA-N 0 0 388.497 3.520 10 0 GHAERN C[C@H](c1ccccc1Cl)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000105820198 884859268 /nfs/dbraw/zinc/85/92/68/884859268.db2.gz XLBNRPDNDUQUMN-MRXNPFEDSA-N 0 0 391.968 3.739 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccnn1Cc1ccccc1F ZINC000105973395 884885187 /nfs/dbraw/zinc/88/51/87/884885187.db2.gz IVLWBEFXPOAONS-UHFFFAOYSA-N 0 0 383.471 3.721 10 0 GHAERN Cn1nccc1CNC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000104244500 885362588 /nfs/dbraw/zinc/36/25/88/885362588.db2.gz MULWPGCXZFXTIS-UHFFFAOYSA-N 0 0 388.254 3.888 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000104459118 885453081 /nfs/dbraw/zinc/45/30/81/885453081.db2.gz DROHVIAUUWWFOQ-OALUTQOASA-N 0 0 396.531 3.619 10 0 GHAERN CSCc1nc2ccccc2n1CC(=O)Nc1cccc(-c2ncon2)c1 ZINC000101525790 885943555 /nfs/dbraw/zinc/94/35/55/885943555.db2.gz PUPWVXGQGSKLRX-UHFFFAOYSA-N 0 0 379.445 3.588 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ncon4)c3)C2)cc1 ZINC000101525329 885943884 /nfs/dbraw/zinc/94/38/84/885943884.db2.gz QMNDXUAMPGEXDG-SFHVURJKSA-N 0 0 390.443 3.536 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)N1CCC(n2cncn2)CC1 ZINC000101750436 885953816 /nfs/dbraw/zinc/95/38/16/885953816.db2.gz KWPCOZZECJEIPZ-UHFFFAOYSA-N 0 0 398.854 3.988 10 0 GHAERN O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104348728 886002471 /nfs/dbraw/zinc/00/24/71/886002471.db2.gz BHYSPMMFKUNCJF-GOSISDBHSA-N 0 0 375.432 3.712 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H](COCC(C)C)c2ccco2)c2ccccc2)[nH]1 ZINC000105219365 886012952 /nfs/dbraw/zinc/01/29/52/886012952.db2.gz ZAJXCNHEVMYJPH-IEBWSBKVSA-N 0 0 397.479 3.509 10 0 GHAERN C[C@H](Cc1cccs1)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000028412528 886113706 /nfs/dbraw/zinc/11/37/06/886113706.db2.gz FEGFIRBAFJYZPB-MRXNPFEDSA-N 0 0 377.554 3.503 10 0 GHAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000109884082 886159909 /nfs/dbraw/zinc/15/99/09/886159909.db2.gz WHIMCYRNYSKWFZ-SJLPKXTDSA-N 0 0 397.544 3.999 10 0 GHAERN O=C(NCc1cc2ccccc2o1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112389596 886261196 /nfs/dbraw/zinc/26/11/96/886261196.db2.gz RTTVUDNYACXLRX-UHFFFAOYSA-N 0 0 383.473 3.552 10 0 GHAERN CN1CCCc2cc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)ccc21 ZINC000112421486 886262741 /nfs/dbraw/zinc/26/27/41/886262741.db2.gz UBAVWSLXFQUZNO-UHFFFAOYSA-N 0 0 398.532 3.511 10 0 GHAERN Cc1nc2ccccc2n1CCCNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114819778 886328814 /nfs/dbraw/zinc/32/88/14/886328814.db2.gz HCGDDJBJICSBHE-INIZCTEOSA-N 0 0 383.521 3.781 10 0 GHAERN COC(=O)c1cc(CNC(=O)N(Cc2ccco2)C2CCCC2)ccc1OC ZINC000105140030 886386954 /nfs/dbraw/zinc/38/69/54/886386954.db2.gz WALYAPKMDHDLBX-UHFFFAOYSA-N 0 0 386.448 3.729 10 0 GHAERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cccc1C(=O)N1CCSCC1 ZINC000117638591 886389459 /nfs/dbraw/zinc/38/94/59/886389459.db2.gz PFZZPCFDFQBYRS-MGPUTAFESA-N 0 0 396.512 3.687 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000117636039 886389543 /nfs/dbraw/zinc/38/95/43/886389543.db2.gz CCRXIBYADMGVCT-QVKFZJNVSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cccc1C(=O)N1CCSCC1 ZINC000117638590 886389898 /nfs/dbraw/zinc/38/98/98/886389898.db2.gz PFZZPCFDFQBYRS-YWZLYKJASA-N 0 0 396.512 3.687 10 0 GHAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)CCO1 ZINC000332711208 886539216 /nfs/dbraw/zinc/53/92/16/886539216.db2.gz LUYUJTDPBNTBTK-XIRDDKMYSA-N 0 0 389.521 3.583 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1)CCC2 ZINC000332707166 886539506 /nfs/dbraw/zinc/53/95/06/886539506.db2.gz IQDRUCDZLFMKCQ-SJORKVTESA-N 0 0 388.537 3.521 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)c2ccccc21 ZINC000332748811 886541321 /nfs/dbraw/zinc/54/13/21/886541321.db2.gz IPOHUKHZZGXXCL-JAXLGGSGSA-N 0 0 378.472 3.768 10 0 GHAERN CON(C)C(=O)c1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000123768430 886671308 /nfs/dbraw/zinc/67/13/08/886671308.db2.gz XOHZMNNFYRGCSM-UHFFFAOYSA-N 0 0 383.423 3.780 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c2ccccc2F)no1 ZINC000124489708 886755302 /nfs/dbraw/zinc/75/53/02/886755302.db2.gz AGJQKLKSSMFBCZ-PXNSSMCTSA-N 0 0 394.450 3.881 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000124635517 886776115 /nfs/dbraw/zinc/77/61/15/886776115.db2.gz XBNGJXACEODQRH-IBGZPJMESA-N 0 0 382.485 3.634 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCc3ccc(F)cc3C2)c2ccccc2F)no1 ZINC000124671066 886782024 /nfs/dbraw/zinc/78/20/24/886782024.db2.gz HYUOFFVNSHFCBB-GOSISDBHSA-N 0 0 384.386 3.514 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000125467890 886869304 /nfs/dbraw/zinc/86/93/04/886869304.db2.gz QXLYVTHKHMTOHW-JXMROGBWSA-N 0 0 384.863 3.522 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@@H](C)c3nc(-c4ccccc4)no3)nc21 ZINC000125554908 886879142 /nfs/dbraw/zinc/87/91/42/886879142.db2.gz QBDXZZJJASWZMB-OAHLLOKOSA-N 0 0 389.459 3.774 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000043698020 886879381 /nfs/dbraw/zinc/87/93/81/886879381.db2.gz BMSOZEFCBOGHTD-AWEZNQCLSA-N 0 0 399.524 3.896 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(-c3ccncc3)o2)cc1 ZINC000126020404 886925020 /nfs/dbraw/zinc/92/50/20/886925020.db2.gz GTFVVIXWROJLEV-KRWDZBQOSA-N 0 0 396.472 3.596 10 0 GHAERN O=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccccn1 ZINC000045855893 887104348 /nfs/dbraw/zinc/10/43/48/887104348.db2.gz CMRNFLUSPUIDCH-UHFFFAOYSA-N 0 0 399.494 3.635 10 0 GHAERN CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1cccnc1-n1cccn1 ZINC000046094847 887142322 /nfs/dbraw/zinc/14/23/22/887142322.db2.gz YMWJWHABTGJEOL-UHFFFAOYSA-N 0 0 390.274 3.916 10 0 GHAERN COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2C)CC1 ZINC000128917763 887242519 /nfs/dbraw/zinc/24/25/19/887242519.db2.gz JOJDGLAXCQNLNI-PMACEKPBSA-N 0 0 392.499 3.984 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](c3ncc[nH]3)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000129253887 887274609 /nfs/dbraw/zinc/27/46/09/887274609.db2.gz GPKDJPJOVAIEMX-NFBKMPQASA-N 0 0 388.471 3.696 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cc(F)ccc1F ZINC000129545390 887316582 /nfs/dbraw/zinc/31/65/82/887316582.db2.gz WGLAGHXBHHFEEM-GOSISDBHSA-N 0 0 376.451 3.814 10 0 GHAERN CCOc1cc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000047581791 887341289 /nfs/dbraw/zinc/34/12/89/887341289.db2.gz CXDBCMVWFKATHM-HNNXBMFYSA-N 0 0 395.463 3.548 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000129854943 887359520 /nfs/dbraw/zinc/35/95/20/887359520.db2.gz FZYAZWCLOZAYEJ-QGZVFWFLSA-N 0 0 394.441 3.558 10 0 GHAERN COc1ccncc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000131430563 887541944 /nfs/dbraw/zinc/54/19/44/887541944.db2.gz YBCKJFJBYFUTQA-QGZVFWFLSA-N 0 0 389.455 3.734 10 0 GHAERN CCCCc1ccc([C@@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105092433 887558663 /nfs/dbraw/zinc/55/86/63/887558663.db2.gz KPAZRQIKWYENPM-HXUWFJFHSA-N 0 0 385.533 3.712 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000134291942 887850826 /nfs/dbraw/zinc/85/08/26/887850826.db2.gz RHBPPCINMGEVQF-BLLLJJGKSA-N 0 0 389.908 3.874 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000134296070 887850834 /nfs/dbraw/zinc/85/08/34/887850834.db2.gz ISEASWXWXVNCEU-APWZRJJASA-N 0 0 375.538 3.557 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000134325447 887860559 /nfs/dbraw/zinc/86/05/59/887860559.db2.gz SKSWGJUSMFUIJQ-QFBILLFUSA-N 0 0 387.549 3.726 10 0 GHAERN CCCOCc1ccccc1CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000054038267 888262540 /nfs/dbraw/zinc/26/25/40/888262540.db2.gz RCPPRCBGQSEBHU-LJQANCHMSA-N 0 0 384.501 3.733 10 0 GHAERN O=C(c1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)c2ccccn2)CC1 ZINC000055603520 888325128 /nfs/dbraw/zinc/32/51/28/888325128.db2.gz QFSXXGYPIOHPLU-UHFFFAOYSA-N 0 0 385.467 3.737 10 0 GHAERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000137088896 888330530 /nfs/dbraw/zinc/33/05/30/888330530.db2.gz YQCUAPRZMJGWMT-SFHVURJKSA-N 0 0 382.464 3.670 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccs1 ZINC000056441473 888361033 /nfs/dbraw/zinc/36/10/33/888361033.db2.gz WVCVQBHLHBHKMF-UHFFFAOYSA-N 0 0 379.485 3.573 10 0 GHAERN O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000061460968 888489161 /nfs/dbraw/zinc/48/91/61/888489161.db2.gz SYHHMXXAMMZQLB-UHFFFAOYSA-N 0 0 381.819 3.692 10 0 GHAERN O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000062573391 888507435 /nfs/dbraw/zinc/50/74/35/888507435.db2.gz ZMVXVAHCLFHIRK-MRXNPFEDSA-N 0 0 390.405 3.526 10 0 GHAERN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000193743502 888520167 /nfs/dbraw/zinc/52/01/67/888520167.db2.gz KYAOJESRJZATSX-VOQZNFBZSA-N 0 0 390.487 3.955 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(Cc1cccnc1)C(C)(C)C ZINC000193861163 888532315 /nfs/dbraw/zinc/53/23/15/888532315.db2.gz IUCLYXUXAYZYDK-NRFANRHFSA-N 0 0 379.504 3.745 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(Cc1cccnc1)C(C)(C)C ZINC000193861179 888532676 /nfs/dbraw/zinc/53/26/76/888532676.db2.gz IUCLYXUXAYZYDK-OAQYLSRUSA-N 0 0 379.504 3.745 10 0 GHAERN O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1csc(-c2ccsc2)n1 ZINC000194652388 888602147 /nfs/dbraw/zinc/60/21/47/888602147.db2.gz DQVVXXMFFAPYAT-UHFFFAOYSA-N 0 0 384.530 3.661 10 0 GHAERN Cc1noc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)C2)n1 ZINC000195137826 888649996 /nfs/dbraw/zinc/64/99/96/888649996.db2.gz PVJCRYBYLNUILK-HNNXBMFYSA-N 0 0 394.479 3.866 10 0 GHAERN O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000195174914 888651869 /nfs/dbraw/zinc/65/18/69/888651869.db2.gz HCRNLTCXKVEHED-UHFFFAOYSA-N 0 0 392.434 3.707 10 0 GHAERN CNC(=O)c1ccc(C=CC(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)cc1 ZINC000195373277 888657209 /nfs/dbraw/zinc/65/72/09/888657209.db2.gz UWORDFVYLQAASM-GPVYEGESSA-N 0 0 388.471 3.608 10 0 GHAERN O=C(Nc1ccc(F)cc1NC(=O)[C@@H]1CCCc2cccnc21)c1ccccn1 ZINC000195430454 888663355 /nfs/dbraw/zinc/66/33/55/888663355.db2.gz HCNFQMGRKCTMMO-MRXNPFEDSA-N 0 0 390.418 3.927 10 0 GHAERN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000245700068 889279843 /nfs/dbraw/zinc/27/98/43/889279843.db2.gz NDTYMKRCMRKOIB-LNSITVRQSA-N 0 0 380.560 3.510 10 0 GHAERN Cc1cccc([C@H](NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)C(C)(C)C)c1 ZINC000245702665 889300619 /nfs/dbraw/zinc/30/06/19/889300619.db2.gz VSISPTWEDFWASK-AQNXPRMDSA-N 0 0 398.551 3.971 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2)C[C@@H](C)O1 ZINC000245820574 889789392 /nfs/dbraw/zinc/78/93/92/889789392.db2.gz LTUYLJMZSYCAER-MBOZVWFJSA-N 0 0 399.560 3.772 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245920352 890016350 /nfs/dbraw/zinc/01/63/50/890016350.db2.gz GRWGBCFZWKSKOP-XSDIEEQYSA-N 0 0 381.520 3.619 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000245971805 890107811 /nfs/dbraw/zinc/10/78/11/890107811.db2.gz VZPYUCZCYKFOLI-LVQVYYBASA-N 0 0 377.531 3.573 10 0 GHAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H](C)O1 ZINC000246017293 890186935 /nfs/dbraw/zinc/18/69/35/890186935.db2.gz JGXQDJNDTKTBMQ-MBNYWOFBSA-N 0 0 387.858 3.724 10 0 GHAERN C[C@H](O)c1ccc(CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246312342 890995276 /nfs/dbraw/zinc/99/52/76/890995276.db2.gz BIUVKEAPTGSEJM-ONGXBYRLSA-N 0 0 386.467 3.677 10 0 GHAERN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cccc(C=O)c3)co2)cc1 ZINC000068332173 891177230 /nfs/dbraw/zinc/17/72/30/891177230.db2.gz UXYDUIPBBQSKCV-INIZCTEOSA-N 0 0 378.428 3.589 10 0 GHAERN CN(Cc1ccccc1)c1ccccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000069660251 891204162 /nfs/dbraw/zinc/20/41/62/891204162.db2.gz JOVAKZFXGHMHTB-UHFFFAOYSA-N 0 0 390.491 3.784 10 0 GHAERN CN1CCOc2ccc(NC(=O)N3CCC[C@H]3C[C@@H](O)c3cccs3)cc21 ZINC000246442906 891242335 /nfs/dbraw/zinc/24/23/35/891242335.db2.gz DQTAVPYMAQMRTK-DOTOQJQBSA-N 0 0 387.505 3.697 10 0 GHAERN Cc1ccc(C(=O)N[C@@H](CC(=O)NCc2cscn2)c2ccccc2)cc1 ZINC000105581081 891267344 /nfs/dbraw/zinc/26/73/44/891267344.db2.gz NWOBMXFWFBQQJK-IBGZPJMESA-N 0 0 379.485 3.629 10 0 GHAERN O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246577325 891289154 /nfs/dbraw/zinc/28/91/54/891289154.db2.gz VTSQDBIVSMLQJN-BZUAXINKSA-N 0 0 381.875 3.769 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2C(F)(F)F)cc1 ZINC000246626913 891293859 /nfs/dbraw/zinc/29/38/59/891293859.db2.gz CAQWLHBVYAJMGC-UAGQMJEPSA-N 0 0 393.409 3.887 10 0 GHAERN COc1ccc([C@@H]2CCN(C(=O)Nc3ccc(N4CCO[C@@H](C)C4)cc3)C2)cc1 ZINC000246726438 891301832 /nfs/dbraw/zinc/30/18/32/891301832.db2.gz MMHSHSHTINNRDI-PKOBYXMFSA-N 0 0 395.503 3.942 10 0 GHAERN Cn1ccnc1SCc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)o1 ZINC000247025161 891334276 /nfs/dbraw/zinc/33/42/76/891334276.db2.gz RPRUKUABLMSLNW-ZHALLVOQSA-N 0 0 379.485 3.621 10 0 GHAERN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000247217293 891356371 /nfs/dbraw/zinc/35/63/71/891356371.db2.gz XKSNVSYRXZTCGV-HZPDHXFCSA-N 0 0 398.469 3.596 10 0 GHAERN O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247388367 891373695 /nfs/dbraw/zinc/37/36/95/891373695.db2.gz LMABDDLXCHZUTO-MJBXVCDLSA-N 0 0 396.369 3.835 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)CC1 ZINC000247623790 891389332 /nfs/dbraw/zinc/38/93/32/891389332.db2.gz UCVQSWIFQRAWKG-ILZDJORESA-N 0 0 385.508 3.638 10 0 GHAERN CN1CC[C@H](CNC(=O)N2CCSC[C@H]2c2nccs2)c2ccccc21 ZINC000248558811 891428864 /nfs/dbraw/zinc/42/88/64/891428864.db2.gz DQEULOHYHYJEDI-PBHICJAKSA-N 0 0 388.562 3.566 10 0 GHAERN Cc1cc(C)c(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400744 891432595 /nfs/dbraw/zinc/43/25/95/891432595.db2.gz LEBVKCGLARUDLS-RDJZCZTQSA-N 0 0 379.838 3.805 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248693675 891458494 /nfs/dbraw/zinc/45/84/94/891458494.db2.gz BYUIKHYQLQDZIC-DJKXOVBDSA-N 0 0 375.488 3.839 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)C1 ZINC000248826845 891473444 /nfs/dbraw/zinc/47/34/44/891473444.db2.gz GVRTWJPCTJNKDW-QSGSBWRWSA-N 0 0 398.290 3.852 10 0 GHAERN C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000248890818 891480293 /nfs/dbraw/zinc/48/02/93/891480293.db2.gz WFGIFSTXXFHYRZ-QKLQHJQFSA-N 0 0 379.504 3.749 10 0 GHAERN C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCC(Cn2cncn2)CC1)c1ccc(Cl)cc1 ZINC000249286163 891484323 /nfs/dbraw/zinc/48/43/23/891484323.db2.gz SJTWQWKZHGTWOQ-ZMYBRWDISA-N 0 0 387.915 3.750 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cc(Br)ncc1Cl ZINC000251557901 891625637 /nfs/dbraw/zinc/62/56/37/891625637.db2.gz GHAULADDRBDFOZ-CUOATXAZSA-N 0 0 385.689 3.575 10 0 GHAERN O=c1nc(CN2CCS[C@@H]3COCC[C@H]32)[nH]c2sc(-c3ccccc3)cc21 ZINC000253553549 891879712 /nfs/dbraw/zinc/87/97/12/891879712.db2.gz CGGSTYOHENAYGO-NVXWUHKLSA-N 0 0 399.541 3.770 10 0 GHAERN O=c1nc(CN2CCS[C@H]3COCC[C@H]32)[nH]c2sc(-c3ccccc3)cc21 ZINC000253553550 891879758 /nfs/dbraw/zinc/87/97/58/891879758.db2.gz CGGSTYOHENAYGO-WBVHZDCISA-N 0 0 399.541 3.770 10 0 GHAERN C[C@@H]1C[N@@H+](C2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCO1 ZINC000079490755 892407835 /nfs/dbraw/zinc/40/78/35/892407835.db2.gz AWGPPZDRCXTHGN-OAHLLOKOSA-N 0 0 375.513 3.634 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000163024330 893075741 /nfs/dbraw/zinc/07/57/41/893075741.db2.gz WZILRFKHVGNCTF-ABAIWWIYSA-N 0 0 396.361 3.635 10 0 GHAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCc3ccc(F)cc32)C1 ZINC000332950081 893325950 /nfs/dbraw/zinc/32/59/50/893325950.db2.gz WYOCGBUCIZOCFB-FUHWJXTLSA-N 0 0 375.488 3.539 10 0 GHAERN C[C@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000152209248 895019997 /nfs/dbraw/zinc/01/99/97/895019997.db2.gz VTNIOZWIZSEQNH-STQMWFEESA-N 0 0 379.917 3.563 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3nc(C(C)C)ncc3Cl)C2)c1 ZINC000102383947 898007799 /nfs/dbraw/zinc/00/77/99/898007799.db2.gz UXAGDXNKTUHVLY-AWEZNQCLSA-N 0 0 388.899 3.518 10 0 GHAERN COc1cc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc(Cl)c1OC ZINC000102918372 898048716 /nfs/dbraw/zinc/04/87/16/898048716.db2.gz LDWHEENHPCKBNT-UHFFFAOYSA-N 0 0 393.871 3.741 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000104266528 898134602 /nfs/dbraw/zinc/13/46/02/898134602.db2.gz FPHLFZAVPGNUBH-RDTXWAMCSA-N 0 0 389.459 3.812 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCSc3ccc(F)cc31)C2 ZINC000112741409 898924675 /nfs/dbraw/zinc/92/46/75/898924675.db2.gz UCSSEUVVHIKNAQ-OAHLLOKOSA-N 0 0 388.512 3.987 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)C2)n(C)n1 ZINC000333063274 899931070 /nfs/dbraw/zinc/93/10/70/899931070.db2.gz BJAMUZATTWDRCO-OXFYSEKESA-N 0 0 381.524 3.635 10 0 GHAERN C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2)C1 ZINC000333259314 901948599 /nfs/dbraw/zinc/94/85/99/901948599.db2.gz FLFYFVSAZKBRSK-HUYLIWGRSA-N 0 0 385.508 3.524 10 0 GHAERN Cn1cc(NC(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)c(C2CCCCC2)n1 ZINC000333676916 902264137 /nfs/dbraw/zinc/26/41/37/902264137.db2.gz OSTCLCDVNVBRCQ-MRXNPFEDSA-N 0 0 389.544 3.626 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334024893 902508967 /nfs/dbraw/zinc/50/89/67/902508967.db2.gz GLBYTZWKKNMLGO-XXBNENTESA-N 0 0 376.456 3.884 10 0 GHAERN CCOCCOCCOC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103644259 904397552 /nfs/dbraw/zinc/39/75/52/904397552.db2.gz PLAGPSOSQQRCKG-CVEARBPZSA-N 0 0 375.490 3.942 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000177349655 906114460 /nfs/dbraw/zinc/11/44/60/906114460.db2.gz OJLGSRRSRAQCMR-YOEHRIQHSA-N 0 0 378.432 3.544 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184084027 907513211 /nfs/dbraw/zinc/51/32/11/907513211.db2.gz WDUYRSSSBMYWQT-INIZCTEOSA-N 0 0 389.419 3.767 10 0 GHAERN Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000185355669 907756507 /nfs/dbraw/zinc/75/65/07/907756507.db2.gz YOUXFNRDLNRZDU-INIZCTEOSA-N 0 0 384.484 3.857 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccnc(N3CCCCC3)c2)cs1 ZINC000186223649 907892140 /nfs/dbraw/zinc/89/21/40/907892140.db2.gz RECWQIZMYXVVAL-SFHVURJKSA-N 0 0 385.537 3.884 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189085568 908281174 /nfs/dbraw/zinc/28/11/74/908281174.db2.gz JVGLBCSMOUIEFQ-GXTWGEPZSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000189114107 908285149 /nfs/dbraw/zinc/28/51/49/908285149.db2.gz AGKXCEVJCSBCCP-RBUKOAKNSA-N 0 0 379.416 3.773 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccnn2Cc2cccs2)cs1 ZINC000189795057 908375700 /nfs/dbraw/zinc/37/57/00/908375700.db2.gz LFMRHRZVXYHVAX-INIZCTEOSA-N 0 0 387.534 3.533 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2csc3ccccc23)C1 ZINC000190042452 908409832 /nfs/dbraw/zinc/40/98/32/908409832.db2.gz VIKHRJUKIOFQAV-WBVHZDCISA-N 0 0 385.489 3.904 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Sc2ccccc2Cl)C1 ZINC000190055821 908414778 /nfs/dbraw/zinc/41/47/78/908414778.db2.gz OSOMKWXWHIOAHZ-MPKXVKKWSA-N 0 0 381.885 3.501 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000190069149 908419066 /nfs/dbraw/zinc/41/90/66/908419066.db2.gz GTXALGBSAOZCSV-KDOFPFPSSA-N 0 0 398.850 3.696 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000190069167 908419184 /nfs/dbraw/zinc/41/91/84/908419184.db2.gz GTXALGBSAOZCSV-RDTXWAMCSA-N 0 0 398.850 3.696 10 0 GHAERN CCCCOc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)c(C)c1 ZINC000190123391 908431430 /nfs/dbraw/zinc/43/14/30/908431430.db2.gz VKJQFTGZOBKHBV-SJLPKXTDSA-N 0 0 388.468 3.859 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(C(F)(F)F)c2C)C1 ZINC000190134217 908435479 /nfs/dbraw/zinc/43/54/79/908435479.db2.gz OCXNEMDVKXSLGH-RISCZKNCSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)C1 ZINC000190134716 908435721 /nfs/dbraw/zinc/43/57/21/908435721.db2.gz CZFISJOQQIDEJF-RDJZCZTQSA-N 0 0 397.435 3.644 10 0 GHAERN CCCCOc1cc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190152560 908441158 /nfs/dbraw/zinc/44/11/58/908441158.db2.gz SHYVRABKOZJIPI-DLBZAZTESA-N 0 0 375.469 3.528 10 0 GHAERN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000191780335 908671615 /nfs/dbraw/zinc/67/16/15/908671615.db2.gz XZDFVJBJLUTLCE-DOMZBBRYSA-N 0 0 393.875 3.631 10 0 GHAERN CCS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000192462636 908789591 /nfs/dbraw/zinc/78/95/91/908789591.db2.gz XIISDQREWZSIHU-OAHLLOKOSA-N 0 0 380.554 3.654 10 0 GHAERN CCCNC(=O)Nc1cccc(OC(=O)Cc2c(C)nn(CC(C)C)c2C)c1 ZINC000103833579 911587863 /nfs/dbraw/zinc/58/78/63/911587863.db2.gz IGTGBFPDJAAYBJ-UHFFFAOYSA-N 0 0 386.496 3.836 10 0 GHAERN O=C(C1CCS(=O)(=O)CC1)N1CC[C@H](c2cccc(Oc3ccccc3)c2)C1 ZINC000369887127 923710176 /nfs/dbraw/zinc/71/01/76/923710176.db2.gz IZEWUAAASYGKIM-IBGZPJMESA-N 0 0 399.512 3.620 10 0 GHAERN O=C(c1csc(I)c1)N1CCC[C@@H]1c1nccs1 ZINC000372127994 925176675 /nfs/dbraw/zinc/17/66/75/925176675.db2.gz IJYRRYXTBXWAHB-SECBINFHSA-N 0 0 390.271 3.787 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000375415712 928280255 /nfs/dbraw/zinc/28/02/55/928280255.db2.gz NBZSHNALORQCFX-USCONSEESA-N 0 0 375.472 3.980 10 0 GHAERN O=C([O-])c1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(Br)c1 ZINC000716223324 977820981 /nfs/dbraw/zinc/82/09/81/977820981.db2.gz ROFFFYOBRXPUHL-QGZVFWFLSA-N 0 0 389.293 3.511 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N1CCc2c1cccc2-c1ccccc1 ZINC000184274151 1014572314 /nfs/dbraw/zinc/57/23/14/1014572314.db2.gz PWLJPWNSROAFQR-UHFFFAOYSA-N 0 0 396.454 3.602 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccco2)c2ccc(F)cc2C1 ZINC000184029694 1014571387 /nfs/dbraw/zinc/57/13/87/1014571387.db2.gz AZHUVLKDFRNLFA-RTBURBONSA-N 0 0 385.439 3.759 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2(c3ccccc3F)CC2)c2ccc(F)cc2C1 ZINC000185249507 1014577510 /nfs/dbraw/zinc/57/75/10/1014577510.db2.gz QBWMACMBLOTFHM-FQEVSTJZSA-N 0 0 399.441 3.747 10 0 GHAERN CCO[C@@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185527533 1014585278 /nfs/dbraw/zinc/58/52/78/1014585278.db2.gz KULRPNCXGQSCOR-LEWJYISDSA-N 0 0 384.451 3.513 10 0 GHAERN COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[C@H](C)CC2 ZINC000001965157 206396453 /nfs/dbraw/zinc/39/64/53/206396453.db2.gz OBLWPQNSQUXTAX-LLVKDONJSA-N 0 0 389.473 3.929 10 0 GHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000006725086 206666672 /nfs/dbraw/zinc/66/66/72/206666672.db2.gz ILZRRURGSORJTI-VBOPQPRHSA-N 0 0 393.487 3.825 10 0 GHAERN O=C(Nc1ccc2c(c1)CN(C(=O)[C@@H]1CCOC1)CC2)c1ccccc1Cl ZINC000012701350 206926485 /nfs/dbraw/zinc/92/64/85/206926485.db2.gz KYEVJMUSJOPPGN-OAHLLOKOSA-N 0 0 384.863 3.514 10 0 GHAERN O=C(CN1C(=O)CCc2cc(Br)ccc21)Nc1ccc(F)c(F)c1 ZINC000015785381 207061033 /nfs/dbraw/zinc/06/10/33/207061033.db2.gz QFUZXARSJGXSAL-UHFFFAOYSA-N 0 0 395.203 3.645 10 0 GHAERN COc1cc(-c2cnnc(NCC[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)cc(OC)c1OC ZINC000019742662 207158247 /nfs/dbraw/zinc/15/82/47/207158247.db2.gz GPSFZZRTBJABDC-QLFBSQMISA-N 0 0 382.464 3.579 10 0 GHAERN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)nc1 ZINC000020403163 207192193 /nfs/dbraw/zinc/19/21/93/207192193.db2.gz ZBMMDKRSYPNYBE-QHHAFSJGSA-N 0 0 378.259 3.877 10 0 GHAERN CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1 ZINC000021867630 207239674 /nfs/dbraw/zinc/23/96/74/207239674.db2.gz FPEZQZCTJSGOMM-UHFFFAOYSA-N 0 0 393.422 3.709 10 0 GHAERN COc1cc(Nc2cc(C)nc3nc(Cc4cccc(F)c4)nn32)cc(OC)c1 ZINC000021941599 207243733 /nfs/dbraw/zinc/24/37/33/207243733.db2.gz FTIQMBKUJRGMAA-UHFFFAOYSA-N 0 0 393.422 3.923 10 0 GHAERN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000022481234 207254787 /nfs/dbraw/zinc/25/47/87/207254787.db2.gz WESYJZPSJBEZCT-IBGZPJMESA-N 0 0 390.462 3.816 10 0 GHAERN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000022481231 207255404 /nfs/dbraw/zinc/25/54/04/207255404.db2.gz WESYJZPSJBEZCT-LJQANCHMSA-N 0 0 390.462 3.816 10 0 GHAERN COc1ccccc1CNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12 ZINC000033251428 207443976 /nfs/dbraw/zinc/44/39/76/207443976.db2.gz PPIQIVVKZCWOHY-UHFFFAOYSA-N 0 0 397.481 3.923 10 0 GHAERN Nc1cc(S(=O)(=O)Nc2ccc(F)cc2Br)ccc1Cl ZINC000034940572 207482367 /nfs/dbraw/zinc/48/23/67/207482367.db2.gz UOMJONWMJVDVSC-UHFFFAOYSA-N 0 0 379.638 3.625 10 0 GHAERN O=C(NCc1ccco1)c1cccc2c1CCN2C(=O)Nc1ccc(F)cc1 ZINC000064758073 207809254 /nfs/dbraw/zinc/80/92/54/207809254.db2.gz VDERWQINWXTZPT-UHFFFAOYSA-N 0 0 379.391 3.943 10 0 GHAERN O=C(Cc1cccs1)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1 ZINC000065203043 207843546 /nfs/dbraw/zinc/84/35/46/207843546.db2.gz CJRLFGIBWSGQBJ-SFHVURJKSA-N 0 0 396.516 3.764 10 0 GHAERN CCOC(=O)CC1CCC(c2ccc(-c3c(C)nc4ncnn4c3N)cc2)CC1 ZINC000087493416 208102652 /nfs/dbraw/zinc/10/26/52/208102652.db2.gz BOESBXQVYRBWAN-UHFFFAOYSA-N 0 0 393.491 3.909 10 0 GHAERN CCc1c2ccn(S(=O)(=O)c3ccc(C)cc3)c2ncc1Br ZINC000095080349 208152960 /nfs/dbraw/zinc/15/29/60/208152960.db2.gz SGNZNYWOXOXCSF-UHFFFAOYSA-N 0 0 379.279 3.907 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)Cc1cnc(Cl)s1 ZINC000095086753 208155855 /nfs/dbraw/zinc/15/58/55/208155855.db2.gz JYSOCYSYNYMJFW-NSHDSACASA-N 0 0 394.946 3.501 10 0 GHAERN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCc1ccc(F)cc1Cl)C2 ZINC000096310497 208304016 /nfs/dbraw/zinc/30/40/16/208304016.db2.gz DBWLNHUXGQIBMQ-CYBMUJFWSA-N 0 0 390.890 3.537 10 0 GHAERN CC1CCN(c2cncnc2-n2cc(NC(=O)CC3CCCCC3)cn2)CC1 ZINC000065282984 136162545 /nfs/dbraw/zinc/16/25/45/136162545.db2.gz YVCQGAAUIUHCBN-UHFFFAOYSA-N 0 0 382.512 3.808 10 0 GHAERN C[C@H]1CN(c2nc3ccccc3nc2NC2CC2)CCN1C(=O)OC(C)(C)C ZINC000095090753 136177718 /nfs/dbraw/zinc/17/77/18/136177718.db2.gz RKDUVPKHCRWRLY-AWEZNQCLSA-N 0 0 383.496 3.650 10 0 GHAERN COC(=O)c1sccc1NC(=S)N1CCN(c2cc(C)ccc2F)CC1 ZINC000085345063 522449808 /nfs/dbraw/zinc/44/98/08/522449808.db2.gz PFFKRODZOPSYPL-UHFFFAOYSA-N 0 0 393.509 3.501 10 0 GHAERN CCCC[C@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000003831136 560189815 /nfs/dbraw/zinc/18/98/15/560189815.db2.gz OJLOPKGSLYJEMD-MOQBZOKSSA-N 0 0 382.541 3.954 10 0 in-vitro GHAERN CC(=O)N1C[C@@H](C(=O)N(C)Cc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034715463 570319064 /nfs/dbraw/zinc/31/90/64/570319064.db2.gz LIUVHOZEFHZYFR-RTWAWAEBSA-N 0 0 382.479 3.745 10 0 GHAERN CCN(C)C(=O)[C@H]1CN(C(=O)CC(C)C)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042321 570559928 /nfs/dbraw/zinc/55/99/28/570559928.db2.gz VNHUWEWBAMGRHP-IRXDYDNUSA-N 0 0 384.442 3.772 10 0 GHAERN CCOc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000006805989 570606619 /nfs/dbraw/zinc/60/66/19/570606619.db2.gz BLOJIOOKESLJQO-HNNXBMFYSA-N 0 0 397.504 3.583 10 0 GHAERN Cc1cccc(C(=O)N2CCc3ccc(CN4C(=O)c5ccccc5C4=O)cc32)c1 ZINC000045796028 570649136 /nfs/dbraw/zinc/64/91/36/570649136.db2.gz YLBYKAPZADCIOX-UHFFFAOYSA-N 0 0 396.446 3.994 10 0 GHAERN CCc1nc2cccnc2n1-c1ccc(CC(=O)NCc2cccc(F)c2)cc1 ZINC000006900952 570696976 /nfs/dbraw/zinc/69/69/76/570696976.db2.gz URSVXKZGJDSLLT-UHFFFAOYSA-N 0 0 388.446 3.981 10 0 GHAERN COC(=O)c1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)ncc2C1 ZINC000065168977 570719296 /nfs/dbraw/zinc/71/92/96/570719296.db2.gz SEDDDLCZASPGMN-UHFFFAOYSA-N 0 0 388.427 3.520 10 0 GHAERN CCOc1ccccc1C(=O)Nc1ccc(N2CCN(C3CCCC3)C2=O)nc1 ZINC000065272472 570778405 /nfs/dbraw/zinc/77/84/05/570778405.db2.gz AQBBEAGOCCOLNO-UHFFFAOYSA-N 0 0 394.475 3.917 10 0 GHAERN CCOC(=O)C1CCC(CNC(=O)Nc2ccc(-c3noc(C)n3)cc2)CC1 ZINC000033077094 570801966 /nfs/dbraw/zinc/80/19/66/570801966.db2.gz IAAPJSKDQZLUIL-UHFFFAOYSA-N 0 0 386.452 3.536 10 0 GHAERN Cc1ccc(C(=O)NCC(C)C)c(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000037554237 571030536 /nfs/dbraw/zinc/03/05/36/571030536.db2.gz ZLGLRBHQHFMEFR-UHFFFAOYSA-N 0 0 379.504 3.796 10 0 GHAERN O=C(CCc1cccs1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000105045593 837511951 /nfs/dbraw/zinc/51/19/51/837511951.db2.gz WSSRLEFBULBVMS-UHFFFAOYSA-N 0 0 383.439 3.833 10 0 GHAERN CC(C)(C)c1cc(NC(=O)NC2CCN(c3ncccn3)CC2)n(C(C)(C)C)n1 ZINC000105341466 837538181 /nfs/dbraw/zinc/53/81/81/837538181.db2.gz OCBJOGCFCDLJMA-UHFFFAOYSA-N 0 0 399.543 3.516 10 0 GHAERN CCc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000105689749 837582246 /nfs/dbraw/zinc/58/22/46/837582246.db2.gz RRZCIFOLNVEENY-OHZJNBGDSA-N 0 0 397.500 3.883 10 0 GHAERN O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000329473014 835101411 /nfs/dbraw/zinc/10/14/11/835101411.db2.gz SLEORBRHNCSFSV-BLLLJJGKSA-N 0 0 391.443 3.528 10 0 GHAERN O=C(NCC1(CO)CCOCC1)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000157844154 835117120 /nfs/dbraw/zinc/11/71/20/835117120.db2.gz NECVAUXBZDYKGE-QGZVFWFLSA-N 0 0 394.924 3.579 10 0 GHAERN COCCN(Cc1sccc1Br)C(=O)/C=C\c1cncc(C)c1 ZINC000588586358 835227772 /nfs/dbraw/zinc/22/77/72/835227772.db2.gz VQXBFLVMDFUOPB-ARJAWSKDSA-N 0 0 395.322 3.902 10 0 GHAERN CC(C)(CNC(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1(O)CCOCC1 ZINC000333119053 844038011 /nfs/dbraw/zinc/03/80/11/844038011.db2.gz AHLJYUPOSIJUEP-ACDBMABISA-N 0 0 386.536 3.674 10 0 GHAERN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1cccc(-c2ncon2)c1 ZINC000101525259 835306277 /nfs/dbraw/zinc/30/62/77/835306277.db2.gz WAJBAVINFOWKQE-UHFFFAOYSA-N 0 0 393.378 3.887 10 0 GHAERN O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000030371092 835444370 /nfs/dbraw/zinc/44/43/70/835444370.db2.gz WKGSDNKECXSFFL-XOQVKLMPSA-N 0 0 394.515 3.767 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000246078658 835962432 /nfs/dbraw/zinc/96/24/32/835962432.db2.gz GHLVMEUQEJJYCJ-RDTXWAMCSA-N 0 0 385.430 3.905 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)NC(=O)CC2CCCCC2)n1 ZINC000332702097 836469784 /nfs/dbraw/zinc/46/97/84/836469784.db2.gz STXOWJIIBUBIOC-NVXWUHKLSA-N 0 0 377.554 3.980 10 0 GHAERN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332728727 836491248 /nfs/dbraw/zinc/49/12/48/836491248.db2.gz XDTCFEMJFRZDJG-MEDUHNTESA-N 0 0 396.318 3.823 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N[C@@H]1CCCOc3ccccc31)C2 ZINC000332806409 836653712 /nfs/dbraw/zinc/65/37/12/836653712.db2.gz CEZMKBKVXJUDOC-NVXWUHKLSA-N 0 0 382.508 3.709 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[C@@H](c3cccc(F)c3)C1)C2 ZINC000332814659 836678827 /nfs/dbraw/zinc/67/88/27/836678827.db2.gz UPDGTENDDNRADN-SJLPKXTDSA-N 0 0 384.499 3.834 10 0 GHAERN COC[C@H]1CN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC(C)(C)O1 ZINC000332815468 836685688 /nfs/dbraw/zinc/68/56/88/836685688.db2.gz XJZCJAIOEVUNDX-AEFFLSMTSA-N 0 0 388.508 3.658 10 0 GHAERN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCC[C@H]1c1nc[nH]n1 ZINC000253558616 844203179 /nfs/dbraw/zinc/20/31/79/844203179.db2.gz JKNIPHVOIWVCQV-BZPMIXESSA-N 0 0 398.536 3.928 10 0 GHAERN NC(=O)CSc1ccccc1NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103299869 837299429 /nfs/dbraw/zinc/29/94/29/837299429.db2.gz CYPQRBHGEFGFNP-HXUWFJFHSA-N 0 0 392.484 3.570 10 0 GHAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000105244668 837972031 /nfs/dbraw/zinc/97/20/31/837972031.db2.gz MPYJGOYMGOSRNR-WOJBJXKFSA-N 0 0 377.573 3.881 10 0 GHAERN CC(C)n1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c2ccccc2c1=O ZINC000408062293 838285821 /nfs/dbraw/zinc/28/58/21/838285821.db2.gz HAAYSPQJASDAIU-PWHSHALESA-N 0 0 397.519 3.523 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N[C@H]3CCC(=O)NC34CCC4)sc2C1 ZINC000407986201 838400705 /nfs/dbraw/zinc/40/07/05/838400705.db2.gz SCJLRXFTYUXYID-WFASDCNBSA-N 0 0 390.553 3.617 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888786 838423280 /nfs/dbraw/zinc/42/32/80/838423280.db2.gz JTVDBOWMASUPNA-GOSISDBHSA-N 0 0 379.464 3.535 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl)CCCC2 ZINC000408025392 838685537 /nfs/dbraw/zinc/68/55/37/838685537.db2.gz BHRKEMCWJYXSBZ-INIZCTEOSA-N 0 0 397.903 3.617 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000115633067 838722665 /nfs/dbraw/zinc/72/26/65/838722665.db2.gz WZMOFXIYKWCFJW-AWEZNQCLSA-N 0 0 388.320 3.565 10 0 GHAERN CC1CCN(C(=O)c2ccc(N3CCC[C@@H]3[C@@H]3CCCC[C@@]3(C)O)nc2)CC1 ZINC000408033696 838978704 /nfs/dbraw/zinc/97/87/04/838978704.db2.gz APTVDDRQVLNWQW-MIZPHKNDSA-N 0 0 385.552 3.864 10 0 GHAERN COc1ccc([C@H](NC(=O)N2Cc3cccc(Cl)c3C2)c2nccn2C)cc1 ZINC000377346506 839348306 /nfs/dbraw/zinc/34/83/06/839348306.db2.gz ONGGMHAWPZPCDS-IBGZPJMESA-N 0 0 396.878 3.897 10 0 GHAERN Cc1csc(N(C(=O)[C@@H]2CCCN(c3ncccn3)C2)c2ccccc2)n1 ZINC000027596449 839407062 /nfs/dbraw/zinc/40/70/62/839407062.db2.gz CHVOHVXYXLFHSN-MRXNPFEDSA-N 0 0 379.489 3.823 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000152993551 839562943 /nfs/dbraw/zinc/56/29/43/839562943.db2.gz ZKQWJBMDBFTTSN-FQEVSTJZSA-N 0 0 379.508 3.776 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000588383509 839879843 /nfs/dbraw/zinc/87/98/43/839879843.db2.gz VKELKWQGAXBASH-SJORKVTESA-N 0 0 389.503 3.627 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C(=O)N1CCCC[C@@H]1C ZINC000247072516 839998848 /nfs/dbraw/zinc/99/88/48/839998848.db2.gz QGFKMSBEIHUGAA-LNLFQRSKSA-N 0 0 399.535 3.912 10 0 GHAERN O=C(C=Cc1ccnc(Cl)c1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392258 840370132 /nfs/dbraw/zinc/37/01/32/840370132.db2.gz HIXJOQUVTAPFFV-XZVRFQMRSA-N 0 0 393.878 3.940 10 0 GHAERN Cc1c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2cccnc21 ZINC000333292472 844535492 /nfs/dbraw/zinc/53/54/92/844535492.db2.gz BCDUGTCJFGAFST-MIVHDCIWSA-N 0 0 387.487 3.632 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000106221969 840806004 /nfs/dbraw/zinc/80/60/04/840806004.db2.gz AYGJKXXTEGDCPM-DZGCQCFKSA-N 0 0 387.484 3.604 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000332889750 844611876 /nfs/dbraw/zinc/61/18/76/844611876.db2.gz SOKKQQRFUGKCIO-JJTUDDRGSA-N 0 0 396.457 3.851 10 0 GHAERN CCOc1cc(C=CC(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)ccc1O ZINC000588412390 841406979 /nfs/dbraw/zinc/40/69/79/841406979.db2.gz QINIXJNTLIDMIZ-WZUFQYTHSA-N 0 0 391.427 3.502 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408185124 842004794 /nfs/dbraw/zinc/00/47/94/842004794.db2.gz BJFQJVZPKXJNAW-ZIBATOQPSA-N 0 0 383.300 3.960 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000408305137 842182517 /nfs/dbraw/zinc/18/25/17/842182517.db2.gz HHZLCRFZJALESE-CQSZACIVSA-N 0 0 392.171 3.725 10 0 GHAERN C[C@@H]1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@@H](c2ccco2)C1 ZINC000247458592 842327285 /nfs/dbraw/zinc/32/72/85/842327285.db2.gz QESMXSPWEXIVTF-ASKKUZCQSA-N 0 0 379.522 3.778 10 0 GHAERN CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1C1CC1 ZINC000007618481 842366762 /nfs/dbraw/zinc/36/67/62/842366762.db2.gz AMOQTFMEFCOLPG-UHFFFAOYSA-N 0 0 387.465 3.535 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000588434081 842454419 /nfs/dbraw/zinc/45/44/19/842454419.db2.gz UFZUFTZUKIFASK-PLNGDYQASA-N 0 0 384.476 3.661 10 0 GHAERN Cc1nc(C2CCCC2)sc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434347 842479058 /nfs/dbraw/zinc/47/90/58/842479058.db2.gz FSXLJZFGRILVAS-FPLPWBNLSA-N 0 0 379.526 3.920 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1nc2ccc(OCC(F)(F)F)cc2s1 ZINC000588436705 842588969 /nfs/dbraw/zinc/58/89/69/842588969.db2.gz DOCSMXRSESFCAD-RJRFIUFISA-N 0 0 380.351 3.679 10 0 GHAERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000408352392 842750373 /nfs/dbraw/zinc/75/03/73/842750373.db2.gz PWSHQAYUSIBUPX-IINYFYTJSA-N 0 0 380.279 3.688 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)/C(C)=C\c3ccc(OC)c(F)c3)CCO2)c1 ZINC000588446858 842874184 /nfs/dbraw/zinc/87/41/84/842874184.db2.gz LRHPZSYCWLWLGO-RITIIEIYSA-N 0 0 385.435 3.846 10 0 GHAERN Cn1cnnc1C1CCN(C(=O)Nc2ncccc2OCC2CCCCC2)CC1 ZINC000163186189 842977463 /nfs/dbraw/zinc/97/74/63/842977463.db2.gz UOJDUGWDITZTSA-UHFFFAOYSA-N 0 0 398.511 3.581 10 0 GHAERN COc1cc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc(OC)c1OC ZINC000162529163 843263395 /nfs/dbraw/zinc/26/33/95/843263395.db2.gz UVEOEULPJFDAJV-ORAYPTAESA-N 0 0 382.464 3.579 10 0 GHAERN O=C(Nc1cccc(OC(F)F)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112419015 843349519 /nfs/dbraw/zinc/34/95/19/843349519.db2.gz SUIYCCFTEZQRPS-UHFFFAOYSA-N 0 0 395.431 3.730 10 0 GHAERN C[C@@H]1CCc2c(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)csc2C1 ZINC000021496990 843485022 /nfs/dbraw/zinc/48/50/22/843485022.db2.gz PGYBDPIIXWIWTO-MLGOLLRUSA-N 0 0 375.515 3.521 10 0 GHAERN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1 ZINC000330299449 843594303 /nfs/dbraw/zinc/59/43/03/843594303.db2.gz HZULLRAGASOADE-JXFKEZNVSA-N 0 0 390.549 3.654 10 0 GHAERN CN(C(=O)/C=C\c1ccc(O)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000588466210 843716576 /nfs/dbraw/zinc/71/65/76/843716576.db2.gz UQNQNMDJSZZHFB-IJBOHHQRSA-N 0 0 386.492 3.794 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000125201391 843805397 /nfs/dbraw/zinc/80/53/97/843805397.db2.gz WNBOEPZEQKYKBA-LJQANCHMSA-N 0 0 375.476 3.696 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000333065644 843957734 /nfs/dbraw/zinc/95/77/34/843957734.db2.gz TZUWBBRYKMQSCB-RUXDESIVSA-N 0 0 380.476 3.852 10 0 GHAERN O=C(CCSc1ccccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052965804 844992748 /nfs/dbraw/zinc/99/27/48/844992748.db2.gz MKVFAKCTWOIKSX-UHFFFAOYSA-N 0 0 392.540 3.949 10 0 GHAERN O=C(CNC(=O)c1ccccc1C(F)(F)F)N1CC=C(c2ccccc2)CC1 ZINC000150906989 845078296 /nfs/dbraw/zinc/07/82/96/845078296.db2.gz DRFKRFBTDUNYAH-UHFFFAOYSA-N 0 0 388.389 3.751 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000248984644 845485843 /nfs/dbraw/zinc/48/58/43/845485843.db2.gz UUJPLPMLTWBCEB-LESCRADOSA-N 0 0 387.480 3.566 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)CSc3nc4ccccc4o3)C2)c1 ZINC000102382849 845518122 /nfs/dbraw/zinc/51/81/22/845518122.db2.gz CKBYNSULKDBICM-OAHLLOKOSA-N 0 0 397.500 3.571 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2cncn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333010900 845519719 /nfs/dbraw/zinc/51/97/19/845519719.db2.gz RHCKBSYOFLRRNQ-CVDGIAQOSA-N 0 0 386.540 3.544 10 0 GHAERN O=S(=O)(c1sc2ccccc2c1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333492447 845570207 /nfs/dbraw/zinc/57/02/07/845570207.db2.gz ZPQAENMRHFGNBY-SJKOYZFVSA-N 0 0 385.938 3.870 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3csc(Cc4ccc(F)cc4)n3)CCO2)o1 ZINC000151743531 845629069 /nfs/dbraw/zinc/62/90/69/845629069.db2.gz LHEZYOBIGYNXJT-SFHVURJKSA-N 0 0 386.448 3.988 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000151739476 845637108 /nfs/dbraw/zinc/63/71/08/845637108.db2.gz LYMHYDJBNZFBGB-ZBFHGGJFSA-N 0 0 388.489 3.509 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000151747945 845639567 /nfs/dbraw/zinc/63/95/67/845639567.db2.gz CPKFKQFPCANOBE-CRAIPNDOSA-N 0 0 393.487 3.997 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)cc1 ZINC000151886808 845949605 /nfs/dbraw/zinc/94/96/05/845949605.db2.gz VMAMXLIDMHHIBF-PBHICJAKSA-N 0 0 379.460 3.990 10 0 GHAERN CC(C)CCn1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nn1 ZINC000151956620 846067618 /nfs/dbraw/zinc/06/76/18/846067618.db2.gz HQKLVUDXTACPGN-GOSISDBHSA-N 0 0 392.507 3.734 10 0 GHAERN COc1cc(/C=C/C(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1F ZINC000152324281 846688479 /nfs/dbraw/zinc/68/84/79/846688479.db2.gz KILWAMKXKQYNBQ-UXBLZVDNSA-N 0 0 396.462 3.577 10 0 GHAERN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128243217 846820953 /nfs/dbraw/zinc/82/09/53/846820953.db2.gz JGSCCDOKOGBHDZ-ABAIWWIYSA-N 0 0 397.846 3.675 10 0 GHAERN COCCN(C(=O)/C=C\c1ccnc(Cl)c1)c1cccc(Br)n1 ZINC000588514429 846923920 /nfs/dbraw/zinc/92/39/20/846923920.db2.gz VWXBMWXYERKJRK-WAYWQWQTSA-N 0 0 396.672 3.585 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)C2)cc1 ZINC000152710831 847643704 /nfs/dbraw/zinc/64/37/04/847643704.db2.gz BNNXDEHAPDOIDS-YPMHNXCESA-N 0 0 395.381 3.812 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329637645 861858759 /nfs/dbraw/zinc/85/87/59/861858759.db2.gz VQRRARODTXFEQG-LMNJBCLMSA-N 0 0 383.492 3.635 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N[C@H](C)c1ccncc1OC)O[C@H](C)C2 ZINC000588550627 848445463 /nfs/dbraw/zinc/44/54/63/848445463.db2.gz MBFLDKZVGAUZOX-YOVCOIKASA-N 0 0 382.460 3.703 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000153451592 848509790 /nfs/dbraw/zinc/50/97/90/848509790.db2.gz JZIFSWADUYELFX-SSVWKNEZSA-N 0 0 384.432 3.770 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CCO2)o1 ZINC000153587013 848704633 /nfs/dbraw/zinc/70/46/33/848704633.db2.gz XMSHPTAHNWTVIW-FQEVSTJZSA-N 0 0 397.475 3.820 10 0 GHAERN COCCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCCC3(C2)CCCCCC3)cn1 ZINC000329679562 862011100 /nfs/dbraw/zinc/01/11/00/862011100.db2.gz XKGWTXDCHKWWBB-VQTJNVASSA-N 0 0 389.540 3.570 10 0 GHAERN CCn1cc(C2CCN(C(=O)NC3CCN(c4cccs4)CC3)CC2)cn1 ZINC000155651216 849594111 /nfs/dbraw/zinc/59/41/11/849594111.db2.gz YXIKPMJAMWGSMW-UHFFFAOYSA-N 0 0 387.553 3.523 10 0 GHAERN Cc1cnn(Cc2cc(C(=O)Nc3cnccc3-c3cccc(F)c3)no2)c1 ZINC000155697482 849604493 /nfs/dbraw/zinc/60/44/93/849604493.db2.gz VHVJMLCUAJXZAO-UHFFFAOYSA-N 0 0 377.379 3.681 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000156454119 849919303 /nfs/dbraw/zinc/91/93/03/849919303.db2.gz XCEHZTBQRHQFOO-UHFFFAOYSA-N 0 0 395.276 3.808 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000164011737 851224258 /nfs/dbraw/zinc/22/42/58/851224258.db2.gz AJFKIADJFOKICA-OAQYLSRUSA-N 0 0 377.488 3.526 10 0 GHAERN COc1ccc(Cl)cc1CN(C)C(=O)NCCCc1nc(C(C)C)no1 ZINC000101609484 851728593 /nfs/dbraw/zinc/72/85/93/851728593.db2.gz CFEIFRFCQHYDLP-UHFFFAOYSA-N 0 0 380.876 3.629 10 0 GHAERN COc1ccc(CNC(=O)N(C)Cc2ccc(F)cc2)cc1Br ZINC000101624837 851744581 /nfs/dbraw/zinc/74/45/81/851744581.db2.gz DGKJDQXFLKTPAZ-UHFFFAOYSA-N 0 0 381.245 3.938 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)[C@@H]1C ZINC000329747787 862286924 /nfs/dbraw/zinc/28/69/24/862286924.db2.gz SOYBDLNYBBJQQZ-QQXKLLMISA-N 0 0 390.572 3.858 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000101735000 851858365 /nfs/dbraw/zinc/85/83/65/851858365.db2.gz VEEQLZHSZRGWRO-CYBMUJFWSA-N 0 0 396.329 3.854 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000101771482 851898847 /nfs/dbraw/zinc/89/88/47/851898847.db2.gz ZAIPKZCOHLMFHN-HUUCEWRRSA-N 0 0 379.932 3.983 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)C2)c1 ZINC000111805997 851949771 /nfs/dbraw/zinc/94/97/71/851949771.db2.gz MIFLWWUTKYDMAT-RXVVDRJESA-N 0 0 398.507 3.707 10 0 GHAERN O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000101843155 851951250 /nfs/dbraw/zinc/95/12/50/851951250.db2.gz LKUXADOCACCLTP-INIZCTEOSA-N 0 0 391.406 3.553 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3cc(Cl)cc(Cl)c3)C2)no1 ZINC000171357388 852567078 /nfs/dbraw/zinc/56/70/78/852567078.db2.gz CQLQMSANHXDUTH-AWEZNQCLSA-N 0 0 397.306 3.892 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853921 862374580 /nfs/dbraw/zinc/37/45/80/862374580.db2.gz SHBPTZPOSZXWOF-YOEHRIQHSA-N 0 0 388.899 3.831 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125269506 852952178 /nfs/dbraw/zinc/95/21/78/852952178.db2.gz MBKCLBWZEJREQG-WMZOPIPTSA-N 0 0 394.519 3.682 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000123044808 854303720 /nfs/dbraw/zinc/30/37/20/854303720.db2.gz LWNAGOHPPZAYHN-WBCYEJBOSA-N 0 0 380.467 3.557 10 0 GHAERN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H](n2cccn2)C1 ZINC000328685018 854508323 /nfs/dbraw/zinc/50/83/23/854508323.db2.gz FJPUREUSMDOWTE-BBRMVZONSA-N 0 0 390.896 3.853 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)CCO2)n1 ZINC000328736922 854521909 /nfs/dbraw/zinc/52/19/09/854521909.db2.gz LLCXFHKPPGZLKR-FHWLQOOXSA-N 0 0 386.517 3.828 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCC3(CCC3)C2)n1C[C@H]1CCCO1 ZINC000328740007 854523423 /nfs/dbraw/zinc/52/34/23/854523423.db2.gz IGRQIYXXYVNSAU-SQNIBIBYSA-N 0 0 388.556 3.756 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)[nH]1 ZINC000328744640 854525156 /nfs/dbraw/zinc/52/51/56/854525156.db2.gz OXEHTWUEQJJUNI-XHSDSOJGSA-N 0 0 389.297 3.733 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)[nH]1 ZINC000328760812 854531199 /nfs/dbraw/zinc/53/11/99/854531199.db2.gz XNCMFOCHNCNYNP-YCPHGPKFSA-N 0 0 378.398 3.989 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)[nH]1 ZINC000328760809 854531742 /nfs/dbraw/zinc/53/17/42/854531742.db2.gz XNCMFOCHNCNYNP-FMKPAKJESA-N 0 0 378.398 3.989 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000330108534 862579629 /nfs/dbraw/zinc/57/96/29/862579629.db2.gz NTVDUPRFZAENGE-OXFYSEKESA-N 0 0 395.434 3.846 10 0 GHAERN CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1c1ccccc1 ZINC000328865770 854586670 /nfs/dbraw/zinc/58/66/70/854586670.db2.gz GMFFMVBPGSKTMH-RTBURBONSA-N 0 0 383.513 3.600 10 0 GHAERN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000330113665 862583120 /nfs/dbraw/zinc/58/31/20/862583120.db2.gz DDYGECOSHHRZGA-HRCADAONSA-N 0 0 393.516 3.870 10 0 GHAERN O=S(=O)(c1cccc(N[C@@H]2CCCCC23CCCC3)c1)N1CCC(O)CC1 ZINC000328900159 854601192 /nfs/dbraw/zinc/60/11/92/854601192.db2.gz ZMNGZZDNSQXVMO-HXUWFJFHSA-N 0 0 392.565 3.747 10 0 GHAERN Cc1cc([C@H](C)NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c(C)o1 ZINC000127227512 854943834 /nfs/dbraw/zinc/94/38/34/854943834.db2.gz RNZLKZLWNJFPKL-GWCFXTLKSA-N 0 0 381.398 3.996 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000190144656 855419927 /nfs/dbraw/zinc/41/99/27/855419927.db2.gz WXCINKAVBXXTAN-HOCLYGCPSA-N 0 0 396.274 3.923 10 0 GHAERN CC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)s2)CC1)c1cccs1 ZINC000057234195 855430942 /nfs/dbraw/zinc/43/09/42/855430942.db2.gz KYXNEMXYDMFZNC-AWEZNQCLSA-N 0 0 377.535 3.737 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)C2)n1 ZINC000246997074 855433205 /nfs/dbraw/zinc/43/32/05/855433205.db2.gz SYXIEYULDSGRLO-QRQLOZEOSA-N 0 0 397.544 3.767 10 0 GHAERN O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182225460 855626052 /nfs/dbraw/zinc/62/60/52/855626052.db2.gz DMJUTBONOFGIDU-RJFAQORQSA-N 0 0 383.540 3.676 10 0 GHAERN COc1ccc(-c2noc(CSc3nncn3-c3ccccc3)n2)cc1OC ZINC000008457549 855699077 /nfs/dbraw/zinc/69/90/77/855699077.db2.gz BIMULDYCHLLHGK-UHFFFAOYSA-N 0 0 395.444 3.627 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ncc(C(C)C)s3)CC2)n1 ZINC000192399598 855797654 /nfs/dbraw/zinc/79/76/54/855797654.db2.gz ICTIORLNSQTVJE-UHFFFAOYSA-N 0 0 388.541 3.842 10 0 GHAERN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000194490647 856011811 /nfs/dbraw/zinc/01/18/11/856011811.db2.gz FLWXPIVKNLOODA-ZDUSSCGKSA-N 0 0 386.323 3.926 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC1CCC(c3ccccc3)CC1)CC2 ZINC000156167931 856082252 /nfs/dbraw/zinc/08/22/52/856082252.db2.gz FMPXUVCXBUCCME-CTWPCTMYSA-N 0 0 381.524 3.742 10 0 GHAERN CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc(F)c(F)c2)(c2ccccc2)CC1 ZINC000032697311 856250950 /nfs/dbraw/zinc/25/09/50/856250950.db2.gz MZYBRYSPAVLKGX-OAHLLOKOSA-N 0 0 386.442 3.722 10 0 GHAERN O=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003281544 856267352 /nfs/dbraw/zinc/26/73/52/856267352.db2.gz UNYJFTIEHFQUOO-HXUWFJFHSA-N 0 0 388.398 3.672 10 0 GHAERN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000155722267 862780432 /nfs/dbraw/zinc/78/04/32/862780432.db2.gz LFUBRZKUOWSMSP-JGFGOQIWSA-N 0 0 392.368 3.905 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)c2ccccc21 ZINC000185716493 856413936 /nfs/dbraw/zinc/41/39/36/856413936.db2.gz LVQDGFRPNFKFQU-DNVCBOLYSA-N 0 0 384.501 3.624 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c(C)o1 ZINC000185915210 856473201 /nfs/dbraw/zinc/47/32/01/856473201.db2.gz KZPUXLWCYLVZPB-MRXNPFEDSA-N 0 0 385.512 3.711 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000131501468 857754191 /nfs/dbraw/zinc/75/41/91/857754191.db2.gz JXHJBGZXBRRRPG-MDZRGWNJSA-N 0 0 394.462 3.664 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)CC2 ZINC000133743705 858817669 /nfs/dbraw/zinc/81/76/69/858817669.db2.gz LMCYRSOTGINDQT-BZUAXINKSA-N 0 0 392.425 3.655 10 0 GHAERN O=C(N[C@H]1CCCc2sccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000136569730 859505471 /nfs/dbraw/zinc/50/54/71/859505471.db2.gz CBQMLZSJZKOXTQ-HOTGVXAUSA-N 0 0 385.537 3.990 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H](c3ccccc3)CC1)CC2 ZINC000161512172 859668472 /nfs/dbraw/zinc/66/84/72/859668472.db2.gz WOTSFUFQEVIZSG-RBUKOAKNSA-N 0 0 381.524 3.696 10 0 GHAERN O=C(N[C@H]1CCc2c1cccc2F)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272410570 859681447 /nfs/dbraw/zinc/68/14/47/859681447.db2.gz FKDQUMYQOBZEKD-ZWKOTPCHSA-N 0 0 383.471 3.678 10 0 GHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1C ZINC000161577362 859727150 /nfs/dbraw/zinc/72/71/50/859727150.db2.gz JXMISMUAWXMPAD-MOPGFXCFSA-N 0 0 381.524 3.880 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163301912 859874223 /nfs/dbraw/zinc/87/42/23/859874223.db2.gz RLWVUVCHRVUREY-QAPCUYQASA-N 0 0 383.471 3.788 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccncc1 ZINC000017792426 860188081 /nfs/dbraw/zinc/18/80/81/860188081.db2.gz DYZBRCQRFWGOFV-KRWDZBQOSA-N 0 0 387.483 3.964 10 0 GHAERN O=C(C[C@H]1CCc2ccccc2C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000267773097 860420643 /nfs/dbraw/zinc/42/06/43/860420643.db2.gz ZNAOJXTZDYLSAM-FXAWDEMLSA-N 0 0 378.520 3.863 10 0 GHAERN Cc1cccc(C)c1OC[C@@H](C)NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000171869386 860430177 /nfs/dbraw/zinc/43/01/77/860430177.db2.gz XRGLFWDGACCPHT-QGZVFWFLSA-N 0 0 384.524 3.696 10 0 GHAERN Cn1cc(CN2CCCN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CC2)cn1 ZINC000172139630 860432137 /nfs/dbraw/zinc/43/21/37/860432137.db2.gz QRBYPIVYOCGIBE-JOCHJYFZSA-N 0 0 395.551 3.569 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000172352894 860432813 /nfs/dbraw/zinc/43/28/13/860432813.db2.gz RBCQYXCTYAVLCV-QFBILLFUSA-N 0 0 382.435 3.954 10 0 GHAERN CN(C(=O)c1cccc2c3c([nH]c21)CCCC3)[C@@H]1CCCN(c2cccnn2)C1 ZINC000173590364 860441314 /nfs/dbraw/zinc/44/13/14/860441314.db2.gz MDJDTZPZLKNFMT-MRXNPFEDSA-N 0 0 389.503 3.578 10 0 GHAERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000173779033 860443397 /nfs/dbraw/zinc/44/33/97/860443397.db2.gz OWLKPODMLYKLRB-GOSISDBHSA-N 0 0 381.476 3.726 10 0 GHAERN CC(C)c1nc(C2(NCC(=O)N3CCSc4ccccc43)CCCC2)no1 ZINC000174244199 860447117 /nfs/dbraw/zinc/44/71/17/860447117.db2.gz PNWRPSFVAOHCJP-UHFFFAOYSA-N 0 0 386.521 3.691 10 0 GHAERN Cc1cccc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000102751772 860578440 /nfs/dbraw/zinc/57/84/40/860578440.db2.gz VXCPZXVIAYUNIP-LJQANCHMSA-N 0 0 397.544 3.519 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 ZINC000173074030 860695772 /nfs/dbraw/zinc/69/57/72/860695772.db2.gz UYBZSYKVTPLCHE-MOPGFXCFSA-N 0 0 397.544 3.710 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N[C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000102545640 860761893 /nfs/dbraw/zinc/76/18/93/860761893.db2.gz LHLVEUCUHRPRCK-LSDHHAIUSA-N 0 0 389.446 3.860 10 0 GHAERN COCC[C@H]1CCCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1 ZINC000329015342 860948697 /nfs/dbraw/zinc/94/86/97/860948697.db2.gz GCJZLFSPZLDTOU-QWFCFKBJSA-N 0 0 377.529 3.597 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000329071578 860993735 /nfs/dbraw/zinc/99/37/35/860993735.db2.gz ZAHFWAXZBWOEQI-HLAWJBBLSA-N 0 0 389.540 3.739 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc(C)cs2)C1 ZINC000329113729 861032378 /nfs/dbraw/zinc/03/23/78/861032378.db2.gz RZSAXZCCTCFCKV-XIRDDKMYSA-N 0 0 377.554 3.790 10 0 GHAERN CC(C)[C@H](c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C1=O ZINC000329220461 861162278 /nfs/dbraw/zinc/16/22/78/861162278.db2.gz BJNFIEJWNWXXHL-JWWIWJDOSA-N 0 0 384.476 3.750 10 0 GHAERN C[C@H](NC(=O)NCc1ccnn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103184207 863905376 /nfs/dbraw/zinc/90/53/76/863905376.db2.gz PMRQDHMAKJZYDE-HNNXBMFYSA-N 0 0 382.439 3.699 10 0 GHAERN Cc1ccc(NC(=O)CSCC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103130074 863927749 /nfs/dbraw/zinc/92/77/49/863927749.db2.gz WPRWLODFGIKFNR-UHFFFAOYSA-N 0 0 395.528 3.815 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000103854447 864073219 /nfs/dbraw/zinc/07/32/19/864073219.db2.gz AAGLBLCWJFNMQD-UHFFFAOYSA-N 0 0 383.492 3.796 10 0 GHAERN C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc2ccccc21 ZINC000103735291 864076337 /nfs/dbraw/zinc/07/63/37/864076337.db2.gz CDTJJNGSZPDLMS-ZDUSSCGKSA-N 0 0 377.835 3.960 10 0 GHAERN Cn1nnc2cc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)ccc21 ZINC000103737642 864076536 /nfs/dbraw/zinc/07/65/36/864076536.db2.gz DFBQOGYZTPXJSL-UHFFFAOYSA-N 0 0 389.381 3.840 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1Br ZINC000103747038 864081416 /nfs/dbraw/zinc/08/14/16/864081416.db2.gz SYGBYIZZUFUKOX-UHFFFAOYSA-N 0 0 392.644 3.639 10 0 GHAERN Cc1ccc(CN2C[C@H](C(=O)N[C@H](c3ccco3)c3ccccc3)CC2=O)cc1 ZINC000105003055 864805179 /nfs/dbraw/zinc/80/51/79/864805179.db2.gz PGCYFGWUUFZBAN-OFNKIYASSA-N 0 0 388.467 3.842 10 0 GHAERN COCc1nc2n(n1)CCC[C@@H]2Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000301653093 865478212 /nfs/dbraw/zinc/47/82/12/865478212.db2.gz KMXWCEZLYGVRRB-SFHVURJKSA-N 0 0 386.459 3.982 10 0 GHAERN CNC(=O)c1ccc(NC(=O)C(C)(C)c2cccc(Br)c2)cc1 ZINC000102219004 881890784 /nfs/dbraw/zinc/89/07/84/881890784.db2.gz LAHXKPNQTRZPOX-UHFFFAOYSA-N 0 0 375.266 3.725 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)CCO2)cn1 ZINC000189659359 881964217 /nfs/dbraw/zinc/96/42/17/881964217.db2.gz IRPSOSSEFQZZGC-WOJBJXKFSA-N 0 0 382.508 3.700 10 0 GHAERN Cc1cnn([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)c1 ZINC000111361541 866677144 /nfs/dbraw/zinc/67/71/44/866677144.db2.gz MIGCQYYPIURPRY-SNVBAGLBSA-N 0 0 380.322 3.586 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)n1 ZINC000113201466 866751773 /nfs/dbraw/zinc/75/17/73/866751773.db2.gz IKXRRCJEVJRFDE-HOTGVXAUSA-N 0 0 391.581 3.696 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000114571770 866768680 /nfs/dbraw/zinc/76/86/80/866768680.db2.gz LIHVEABOFMNJAE-UXHICEINSA-N 0 0 398.507 3.964 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000114826340 866773352 /nfs/dbraw/zinc/77/33/52/866773352.db2.gz XMVLZKLYNUDHEC-DOTOQJQBSA-N 0 0 398.532 3.920 10 0 GHAERN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C(C)C)c1 ZINC000170890868 882067777 /nfs/dbraw/zinc/06/77/77/882067777.db2.gz FQGFIZICNRDYJZ-ZWKOTPCHSA-N 0 0 385.533 3.612 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000171645582 882121280 /nfs/dbraw/zinc/12/12/80/882121280.db2.gz IHGVASZZROODLM-WBVHZDCISA-N 0 0 391.924 3.770 10 0 GHAERN CC(=O)N(c1nc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(F)cc1 ZINC000172067896 882167212 /nfs/dbraw/zinc/16/72/12/882167212.db2.gz LPJGPLWKEFGHBC-UXHICEINSA-N 0 0 397.475 3.715 10 0 GHAERN O=C(Nc1ccc(OCC2CC2)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000172228619 882189788 /nfs/dbraw/zinc/18/97/88/882189788.db2.gz SLQLDVBJEKTRNX-UHFFFAOYSA-N 0 0 399.516 3.917 10 0 GHAERN O=C(NCc1ccccc1N1CCOCC1)N1CC=C(c2cccs2)CC1 ZINC000172282712 882194323 /nfs/dbraw/zinc/19/43/23/882194323.db2.gz LGEURXDMODJCCN-UHFFFAOYSA-N 0 0 383.517 3.584 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3csc(-c4cnccn4)n3)C2)cc1 ZINC000172440119 882276642 /nfs/dbraw/zinc/27/66/42/882276642.db2.gz SNWHEFIACIONMB-HIFRSBDPSA-N 0 0 380.473 3.627 10 0 GHAERN CN(C)c1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c(C(F)(F)F)c1 ZINC000172460548 882277719 /nfs/dbraw/zinc/27/77/19/882277719.db2.gz ZZVLWUFZVPGIRA-IRXDYDNUSA-N 0 0 379.382 3.551 10 0 GHAERN Cc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1NC(=O)Nc1ccccc1 ZINC000125848205 869303575 /nfs/dbraw/zinc/30/35/75/869303575.db2.gz AHTVJRRERSYRHG-FQEVSTJZSA-N 0 0 392.503 3.949 10 0 GHAERN CC(C)C[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000172520094 882292460 /nfs/dbraw/zinc/29/24/60/882292460.db2.gz LZFKTBKPTIRBSI-HXUWFJFHSA-N 0 0 384.524 3.552 10 0 GHAERN C[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cc2ccccc2s1 ZINC000172560732 882295649 /nfs/dbraw/zinc/29/56/49/882295649.db2.gz CZRFEBZXZSILAW-LBPRGKRZSA-N 0 0 392.440 3.767 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccccc2F)CC1 ZINC000172597153 882298635 /nfs/dbraw/zinc/29/86/35/882298635.db2.gz CNQWHZHDOPLESU-UXHICEINSA-N 0 0 380.463 3.612 10 0 GHAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172601117 882298838 /nfs/dbraw/zinc/29/88/38/882298838.db2.gz AVAGFPUPZRERQU-YJBOKZPZSA-N 0 0 392.507 3.769 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000172621199 882299418 /nfs/dbraw/zinc/29/94/18/882299418.db2.gz QALGOLOZYBCESN-VXKWHMMOSA-N 0 0 375.472 3.636 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000172621274 882299452 /nfs/dbraw/zinc/29/94/52/882299452.db2.gz VHKHRHJVXIDSBY-IRLDBZIGSA-N 0 0 375.472 3.636 10 0 GHAERN C[C@@H](c1ccccc1Cl)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172753094 882306362 /nfs/dbraw/zinc/30/63/62/882306362.db2.gz TVZJSUZAMCHVPF-HNNXBMFYSA-N 0 0 385.895 3.807 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172985522 882327983 /nfs/dbraw/zinc/32/79/83/882327983.db2.gz BLQCXISKFOZCQP-PMACEKPBSA-N 0 0 376.456 3.640 10 0 GHAERN Cc1noc(C)c1CN1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173257382 882344656 /nfs/dbraw/zinc/34/46/56/882344656.db2.gz CDZLDZSIGBPTOV-UHFFFAOYSA-N 0 0 386.883 3.918 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)cc1 ZINC000173307046 882353817 /nfs/dbraw/zinc/35/38/17/882353817.db2.gz KUTGSQZOCUEZBL-VQIMIIECSA-N 0 0 391.475 3.745 10 0 GHAERN Cc1csc([C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)n1 ZINC000173394907 882358417 /nfs/dbraw/zinc/35/84/17/882358417.db2.gz IHVRYRZETZPEJP-MRXNPFEDSA-N 0 0 389.546 3.633 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CC[C@H](Nc4ccccc4)C3)cc2)CCO1 ZINC000173429379 882359701 /nfs/dbraw/zinc/35/97/01/882359701.db2.gz MNSYMHWCPBAVHO-PXNSSMCTSA-N 0 0 380.492 3.630 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000173489588 882364476 /nfs/dbraw/zinc/36/44/76/882364476.db2.gz YTVPDQXYYSWJGQ-XXBNENTESA-N 0 0 394.540 3.717 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)c3cccc(N4CCNC4=O)c3C)C2)n1 ZINC000173739799 882370941 /nfs/dbraw/zinc/37/09/41/882370941.db2.gz UQBUTAKUHCFZFU-HNNXBMFYSA-N 0 0 398.532 3.563 10 0 GHAERN Brc1cccc(-c2cnc(CN3CCC(n4cncn4)CC3)o2)c1 ZINC000173599961 882383092 /nfs/dbraw/zinc/38/30/92/882383092.db2.gz JIUSCJDCOFGRDM-UHFFFAOYSA-N 0 0 388.269 3.533 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)cc1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000173606478 882385627 /nfs/dbraw/zinc/38/56/27/882385627.db2.gz PNIQOCIXBMPPAH-LJQANCHMSA-N 0 0 382.533 3.958 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cs1 ZINC000187115182 870247053 /nfs/dbraw/zinc/24/70/53/870247053.db2.gz LUYXKRMZDWLNSJ-APWZRJJASA-N 0 0 383.517 3.785 10 0 GHAERN O=C(NCc1ccnc(N2CCCC2)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000173676253 882391498 /nfs/dbraw/zinc/39/14/98/882391498.db2.gz QGGWCNYBJHYTFZ-UHFFFAOYSA-N 0 0 397.498 3.607 10 0 GHAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c12 ZINC000046489721 870435716 /nfs/dbraw/zinc/43/57/16/870435716.db2.gz VNRZIEJCDGXOMT-DLBZAZTESA-N 0 0 396.516 3.789 10 0 GHAERN Cn1cc(/C=C/C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c2ccccc21 ZINC000173895219 882413145 /nfs/dbraw/zinc/41/31/45/882413145.db2.gz BGDWNQYTOLSRGK-VAWYXSNFSA-N 0 0 393.531 3.879 10 0 GHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)ccc12 ZINC000194711846 870522729 /nfs/dbraw/zinc/52/27/29/870522729.db2.gz GYILCOFTZVQNOU-WOJBJXKFSA-N 0 0 376.460 3.513 10 0 GHAERN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174088257 882424173 /nfs/dbraw/zinc/42/41/73/882424173.db2.gz ZQUNOHMBHOECIP-UHFFFAOYSA-N 0 0 395.478 3.665 10 0 GHAERN O=C(CCc1ccc2c(c1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000174085183 882424194 /nfs/dbraw/zinc/42/41/94/882424194.db2.gz DIAJESKFQZYFQH-UHFFFAOYSA-N 0 0 384.451 3.633 10 0 GHAERN O=C(Cc1csc(-c2cccnc2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000174091692 882425405 /nfs/dbraw/zinc/42/54/05/882425405.db2.gz ASHJJVZBHJIGKU-UHFFFAOYSA-N 0 0 396.491 3.990 10 0 GHAERN Cc1sc2ncnc(SCCC(=O)N3CCO[C@@H]4CCCC[C@H]43)c2c1C ZINC000065786181 870647585 /nfs/dbraw/zinc/64/75/85/870647585.db2.gz QHPYKWUSIGYROM-HUUCEWRRSA-N 0 0 391.562 3.960 10 0 GHAERN O=C(NCc1cccc(OCC(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114828246 870769564 /nfs/dbraw/zinc/76/95/64/870769564.db2.gz CFCRCKFTMHMJDC-CQSZACIVSA-N 0 0 381.448 3.876 10 0 GHAERN O=C(c1ccc(N2CCCCC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000174023996 882448029 /nfs/dbraw/zinc/44/80/29/882448029.db2.gz BWUYLJVOWVMJIQ-UHFFFAOYSA-N 0 0 397.563 3.932 10 0 GHAERN CCOC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000174365235 882458771 /nfs/dbraw/zinc/45/87/71/882458771.db2.gz JDENNJFGBNBFGB-ZWKOTPCHSA-N 0 0 385.468 3.781 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000103045101 871138961 /nfs/dbraw/zinc/13/89/61/871138961.db2.gz RVZDFAORHOSHNU-MGPUTAFESA-N 0 0 392.455 3.736 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000093385932 882524221 /nfs/dbraw/zinc/52/42/21/882524221.db2.gz FCUJDKLEFHMQTH-UHFFFAOYSA-N 0 0 394.500 3.679 10 0 GHAERN NC(=O)C[C@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000175332700 882543311 /nfs/dbraw/zinc/54/33/11/882543311.db2.gz RSZNRPWFRBWSHZ-ACJLOTCBSA-N 0 0 391.924 3.788 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3c3cccn3C)CC2)nc1 ZINC000175564163 882597254 /nfs/dbraw/zinc/59/72/54/882597254.db2.gz CAAUAVKWTWKMFI-FQEVSTJZSA-N 0 0 381.524 3.634 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CCC(c3nc(C)cs3)CC2)cc1F ZINC000175950446 882617960 /nfs/dbraw/zinc/61/79/60/882617960.db2.gz ULWNDSUUVJTPQS-UHFFFAOYSA-N 0 0 390.480 3.968 10 0 GHAERN C[C@@H](OC(=O)CN1C(=O)CSc2ccccc21)c1cnc2ccccc2c1 ZINC000102132593 872623811 /nfs/dbraw/zinc/62/38/11/872623811.db2.gz GHZVWQHBSIVLEW-CQSZACIVSA-N 0 0 378.453 3.978 10 0 GHAERN COc1ccc(CCC(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102143397 872640392 /nfs/dbraw/zinc/64/03/92/872640392.db2.gz IGJPMRXSGWGPDS-GOSISDBHSA-N 0 0 385.460 3.625 10 0 GHAERN COc1ccccc1N1CCC(NC(=O)CCc2nc3c(cccc3C)[nH]2)CC1 ZINC000175952161 882650720 /nfs/dbraw/zinc/65/07/20/882650720.db2.gz WZZNMMNDMFMDCS-UHFFFAOYSA-N 0 0 392.503 3.598 10 0 GHAERN CCc1nc(CCNC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cs1 ZINC000102377976 872984375 /nfs/dbraw/zinc/98/43/75/872984375.db2.gz LZKBHJNIHIZTTJ-UHFFFAOYSA-N 0 0 389.521 3.703 10 0 GHAERN COc1ccccc1CC1CCN(Cn2c(=S)nc3nc(C)cc(C)n32)CC1 ZINC000102393379 872994661 /nfs/dbraw/zinc/99/46/61/872994661.db2.gz RPMDMLFBIYEUOK-UHFFFAOYSA-N 0 0 397.548 3.798 10 0 GHAERN O=C(c1ncncc1Cl)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000176294982 882674469 /nfs/dbraw/zinc/67/44/69/882674469.db2.gz TUAJDIASPACIGR-ZDUSSCGKSA-N 0 0 390.629 3.790 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)C12CCOCC2 ZINC000248736463 882676284 /nfs/dbraw/zinc/67/62/84/882676284.db2.gz QUYUNWCWEMFNAD-QLIIJSOBSA-N 0 0 390.499 3.892 10 0 GHAERN COc1cc(NC2CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)cc(OC)c1 ZINC000176307618 882677487 /nfs/dbraw/zinc/67/74/87/882677487.db2.gz FTZALEMWSFRUQZ-QGZVFWFLSA-N 0 0 387.307 3.691 10 0 GHAERN COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000176340426 882681044 /nfs/dbraw/zinc/68/10/44/882681044.db2.gz UHMOKTPFKQEMTH-CQSZACIVSA-N 0 0 393.285 3.659 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCc3c2cccc3Cl)CC1 ZINC000176339836 882681243 /nfs/dbraw/zinc/68/12/43/882681243.db2.gz OPUCYVKLYWDTJQ-UHFFFAOYSA-N 0 0 386.854 3.921 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3c(C)noc3Cl)C2)c1 ZINC000176387265 882687067 /nfs/dbraw/zinc/68/70/67/882687067.db2.gz OETBLQWCGLCWFT-ZDUSSCGKSA-N 0 0 378.856 3.602 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000176725734 882707043 /nfs/dbraw/zinc/70/70/43/882707043.db2.gz PGCOHEWXQKXRKP-ZDUSSCGKSA-N 0 0 381.542 3.661 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H](c3ncccc3C)C(C)C)CC2)n1 ZINC000116960240 873798804 /nfs/dbraw/zinc/79/88/04/873798804.db2.gz OICRLOBMUGKSAD-FQEVSTJZSA-N 0 0 381.524 3.759 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 ZINC000177682001 882841873 /nfs/dbraw/zinc/84/18/73/882841873.db2.gz MEEQMQBYGVOKDZ-KOEDOTQGSA-N 0 0 393.422 3.577 10 0 GHAERN O=C(c1ccccc1COC1CCOCC1)N1CCC(Cc2ccccn2)CC1 ZINC000177896525 882869484 /nfs/dbraw/zinc/86/94/84/882869484.db2.gz BWORYIIZLVVREA-UHFFFAOYSA-N 0 0 394.515 3.872 10 0 GHAERN O=C(/C=C(/c1ccc(Cl)cc1)C(F)(F)F)N1CCC(n2cncn2)CC1 ZINC000178267798 882880943 /nfs/dbraw/zinc/88/09/43/882880943.db2.gz VWUMNGZPHIAVFT-DHDCSXOGSA-N 0 0 384.789 3.741 10 0 GHAERN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178306015 882883809 /nfs/dbraw/zinc/88/38/09/882883809.db2.gz MFXSZSIWKDJLHV-BEFAXECRSA-N 0 0 386.810 3.831 10 0 GHAERN CS(=O)(=O)CCc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000119423853 875241293 /nfs/dbraw/zinc/24/12/93/875241293.db2.gz XEILQVBMRINIIK-UHFFFAOYSA-N 0 0 390.530 3.656 10 0 GHAERN O=C(CN1CCS[C@H]2COCC[C@@H]21)Nc1c(Cl)cccc1C(F)(F)F ZINC000178581128 882923368 /nfs/dbraw/zinc/92/33/68/882923368.db2.gz ABWUPJYWVYQVHF-STQMWFEESA-N 0 0 394.846 3.504 10 0 GHAERN CCN(CCc1ccccc1)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000178890138 882961354 /nfs/dbraw/zinc/96/13/54/882961354.db2.gz LWUVLTAUPYPYCM-LJQANCHMSA-N 0 0 382.439 3.881 10 0 GHAERN COc1cc2c(cc1OC)C(=O)N[C@@H](c1ccc(-c3ccncc3)cc1F)N2 ZINC000178893798 882962593 /nfs/dbraw/zinc/96/25/93/882962593.db2.gz SBEVLXBAVTTZNA-FQEVSTJZSA-N 0 0 379.391 3.759 10 0 GHAERN O=C(Cc1c[nH]c2ncccc12)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000120446951 876033344 /nfs/dbraw/zinc/03/33/44/876033344.db2.gz YYQBLYQKQBHHID-QGZVFWFLSA-N 0 0 385.471 3.902 10 0 GHAERN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000120476361 876037908 /nfs/dbraw/zinc/03/79/08/876037908.db2.gz GMLGQCJBTBAITF-UHFFFAOYSA-N 0 0 394.493 3.753 10 0 GHAERN O=C(COC(c1ccccc1)c1ccccc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179339976 882991259 /nfs/dbraw/zinc/99/12/59/882991259.db2.gz CHXZMRREAXNTOF-LJQANCHMSA-N 0 0 376.460 3.665 10 0 GHAERN O=C(N1CCC[C@H](c2nccs2)C1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000179478239 883001866 /nfs/dbraw/zinc/00/18/66/883001866.db2.gz USALKIWZSKLNPG-AWEZNQCLSA-N 0 0 392.471 3.876 10 0 GHAERN CC(C)Cn1ncnc1C[S@@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000180125677 883022760 /nfs/dbraw/zinc/02/27/60/883022760.db2.gz WDICGSCZAXJTDK-RUZDIDTESA-N 0 0 378.885 3.691 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000179798468 883027694 /nfs/dbraw/zinc/02/76/94/883027694.db2.gz SXOLHOPQGXEPED-LJQANCHMSA-N 0 0 394.450 3.873 10 0 GHAERN COc1cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)ccc1O ZINC000180082973 883049447 /nfs/dbraw/zinc/04/94/47/883049447.db2.gz ZVSBHVKDQZLMPV-UHFFFAOYSA-N 0 0 379.378 3.913 10 0 GHAERN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000121239862 876675821 /nfs/dbraw/zinc/67/58/21/876675821.db2.gz DADVORNZWKNOPG-OLZOCXBDSA-N 0 0 380.366 3.889 10 0 GHAERN O=c1cc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)nc2ccccn12 ZINC000180411699 883056521 /nfs/dbraw/zinc/05/65/21/883056521.db2.gz UILLAFANVZEFCZ-UHFFFAOYSA-N 0 0 380.835 3.873 10 0 GHAERN O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)Cc1ccc(CO)cc1 ZINC000180157890 883063837 /nfs/dbraw/zinc/06/38/37/883063837.db2.gz ATCXBHLPXFSQKT-UHFFFAOYSA-N 0 0 377.849 3.602 10 0 GHAERN O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC(n2cncn2)CC1 ZINC000180714492 883095462 /nfs/dbraw/zinc/09/54/62/883095462.db2.gz PFUUFVFJYNZDDT-QGZVFWFLSA-N 0 0 393.413 3.795 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCC[C@H]3c3cccc(Br)c3)cnc21 ZINC000180955882 883112053 /nfs/dbraw/zinc/11/20/53/883112053.db2.gz FQJRPFJSIJSPBO-INIZCTEOSA-N 0 0 385.265 3.708 10 0 GHAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181009370 883117100 /nfs/dbraw/zinc/11/71/00/883117100.db2.gz ICJCDCMRCIEUFF-BOFPYLFWSA-N 0 0 388.826 3.551 10 0 GHAERN C[C@H]1N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCC12CCOCC2 ZINC000368814226 877625546 /nfs/dbraw/zinc/62/55/46/877625546.db2.gz PTFMWNYIXSDLIC-WBMJQRKESA-N 0 0 394.924 3.561 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000121927355 878048084 /nfs/dbraw/zinc/04/80/84/878048084.db2.gz ZECGCOACBKMKHG-OXQOHEQNSA-N 0 0 380.488 3.805 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000122014747 878225291 /nfs/dbraw/zinc/22/52/91/878225291.db2.gz BDAKBGQNTZHVJA-MAUKXSAKSA-N 0 0 380.444 3.670 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122035070 878237309 /nfs/dbraw/zinc/23/73/09/878237309.db2.gz UYGXHEOECGGKKW-DOTOQJQBSA-N 0 0 387.501 3.507 10 0 GHAERN COc1ccc([C@H](NC(=O)c2ccc(Cl)nc2Cl)c2nccn2C)cc1 ZINC000122372239 878781153 /nfs/dbraw/zinc/78/11/53/878781153.db2.gz LMWXCWQEYQJOHF-HNNXBMFYSA-N 0 0 391.258 3.650 10 0 GHAERN CCCN1C(=O)CCc2cc(NC(=O)N3CCO[C@@H](c4ccc(C)o4)C3)ccc21 ZINC000181491702 883158253 /nfs/dbraw/zinc/15/82/53/883158253.db2.gz NKUISRIMMVTOFT-HXUWFJFHSA-N 0 0 397.475 3.883 10 0 GHAERN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(C)cc(C)nc3Cl)c2)n1 ZINC000181799087 883185325 /nfs/dbraw/zinc/18/53/25/883185325.db2.gz DIDVACZRMNZXMV-UHFFFAOYSA-N 0 0 382.851 3.917 10 0 GHAERN O=C(c1ccccc1Nc1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000181934851 883193639 /nfs/dbraw/zinc/19/36/39/883193639.db2.gz KPAQJSADIFHDNQ-UHFFFAOYSA-N 0 0 390.487 3.639 10 0 GHAERN CC(C)c1cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c(O)c(C(C)C)c1 ZINC000181932047 883193796 /nfs/dbraw/zinc/19/37/96/883193796.db2.gz WJRUZIKNAVMIGB-UHFFFAOYSA-N 0 0 399.535 3.848 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)NCCc3ccc(Cl)s3)C2)c1 ZINC000102445101 883209595 /nfs/dbraw/zinc/20/95/95/883209595.db2.gz YBSFEYGDPDHRAP-AWEZNQCLSA-N 0 0 393.940 3.778 10 0 GHAERN O=C(Nc1ccccc1)c1nnc(CN2CCC[C@H](c3nccs3)C2)s1 ZINC000182423043 883219903 /nfs/dbraw/zinc/21/99/03/883219903.db2.gz XMQGPFWZSHYBPY-ZDUSSCGKSA-N 0 0 385.518 3.627 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cnn(C)c2)cc1 ZINC000182480004 883223288 /nfs/dbraw/zinc/22/32/88/883223288.db2.gz ABVXWGWKMBZRDG-SFHVURJKSA-N 0 0 399.495 3.554 10 0 GHAERN O=C(CN1CCCC[C@H]1c1nc[nH]n1)Nc1c(Cl)cccc1C(F)(F)F ZINC000182760616 883234802 /nfs/dbraw/zinc/23/48/02/883234802.db2.gz LSSHAMMQJSNKQL-LBPRGKRZSA-N 0 0 387.793 3.643 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)n1 ZINC000183219267 883272651 /nfs/dbraw/zinc/27/26/51/883272651.db2.gz SSWXATYYEGATRU-LLVKDONJSA-N 0 0 396.310 3.643 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)CCc2cccs2)c2ccc(F)cc2C1 ZINC000184013846 883298244 /nfs/dbraw/zinc/29/82/44/883298244.db2.gz YIXQZBGRLUOJNR-IBGZPJMESA-N 0 0 389.496 3.565 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)/C(C)=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184112006 883320847 /nfs/dbraw/zinc/32/08/47/883320847.db2.gz LJTFXQKLDZNUHT-KVDXNUTJSA-N 0 0 384.426 3.978 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1 ZINC000184053268 883330787 /nfs/dbraw/zinc/33/07/87/883330787.db2.gz KPZYWAGRVOSGPF-UHFFFAOYSA-N 0 0 395.507 3.810 10 0 GHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184705786 883379654 /nfs/dbraw/zinc/37/96/54/883379654.db2.gz MFDYPHSLLVMGIJ-QUCCMNQESA-N 0 0 378.557 3.613 10 0 GHAERN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000184807045 883382449 /nfs/dbraw/zinc/38/24/49/883382449.db2.gz GKVGYLRKZLDEFO-WBMJQRKESA-N 0 0 395.431 3.693 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184830743 883385465 /nfs/dbraw/zinc/38/54/65/883385465.db2.gz UDSANELXCSQWRY-GOSISDBHSA-N 0 0 377.366 3.719 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000184795493 883394178 /nfs/dbraw/zinc/39/41/78/883394178.db2.gz GWLXUPIJAWATSS-FQEVSTJZSA-N 0 0 396.487 3.706 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185518236 883550414 /nfs/dbraw/zinc/55/04/14/883550414.db2.gz BFUFWLAPMALYPQ-NRFANRHFSA-N 0 0 384.451 3.513 10 0 GHAERN O=C(NCCCOC1CCCC1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102563891 883553027 /nfs/dbraw/zinc/55/30/27/883553027.db2.gz QSTXHKFRQVKNMP-UHFFFAOYSA-N 0 0 375.444 3.672 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C)n(C3CC3)c2C)c2ccc(F)cc2C1 ZINC000185541365 883553705 /nfs/dbraw/zinc/55/37/05/883553705.db2.gz CCWSCAVXVROERQ-OAQYLSRUSA-N 0 0 383.467 3.802 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000185547132 883554221 /nfs/dbraw/zinc/55/42/21/883554221.db2.gz IDPKNIASEAGAMS-QFIPXVFZSA-N 0 0 382.479 3.985 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)c2ccc(F)cc2C1 ZINC000185546000 883554394 /nfs/dbraw/zinc/55/43/94/883554394.db2.gz UWXBAVSEAHNZMB-VFNWGFHPSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CSc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185561535 883557237 /nfs/dbraw/zinc/55/72/37/883557237.db2.gz YRHSVVHWYMIJRF-HXUWFJFHSA-N 0 0 386.492 3.836 10 0 GHAERN CCOCCC1(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000185567707 883558097 /nfs/dbraw/zinc/55/80/97/883558097.db2.gz FMXULMWDPBRMHY-FQEVSTJZSA-N 0 0 390.499 3.722 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC2(Cc3ccccc3)CC2)c2ccccc2F)no1 ZINC000185698409 883573764 /nfs/dbraw/zinc/57/37/64/883573764.db2.gz VWERNYQWFHFYEV-SFHVURJKSA-N 0 0 380.423 3.681 10 0 GHAERN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1ncc(-c2ccccc2)cn1 ZINC000186051024 883608186 /nfs/dbraw/zinc/60/81/86/883608186.db2.gz YTFMNCLUIXHQRI-CQSZACIVSA-N 0 0 381.867 3.699 10 0 GHAERN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2c(O)cccc21 ZINC000186335382 883632495 /nfs/dbraw/zinc/63/24/95/883632495.db2.gz VVEFNYBYFPIHMT-AWEZNQCLSA-N 0 0 384.501 3.846 10 0 GHAERN COc1ccccc1[C@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000186289622 883636327 /nfs/dbraw/zinc/63/63/27/883636327.db2.gz FGRCMKVUWDLBEN-UTKZUKDTSA-N 0 0 383.469 3.886 10 0 GHAERN Cc1cc(Br)cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1N ZINC000186528139 883661383 /nfs/dbraw/zinc/66/13/83/883661383.db2.gz KFYZYGTZRNLQTA-LBPRGKRZSA-N 0 0 392.228 3.543 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccccc2)O1 ZINC000186574530 883664507 /nfs/dbraw/zinc/66/45/07/883664507.db2.gz CYVGMGFQBYQDRQ-KUHUBIRLSA-N 0 0 380.448 3.658 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3OCC3CC3)ccc2NC1=O ZINC000186616815 883675040 /nfs/dbraw/zinc/67/50/40/883675040.db2.gz MTXBQXPZGJNTAI-UHFFFAOYSA-N 0 0 380.448 3.774 10 0 GHAERN CN1Cc2cc(NC(=O)NCCc3nc(C(F)(F)F)cs3)ccc2NC1=O ZINC000186647768 883680231 /nfs/dbraw/zinc/68/02/31/883680231.db2.gz OCNWSMUXSZKNTA-UHFFFAOYSA-N 0 0 399.398 3.503 10 0 GHAERN Cc1ccccc1OCCCN(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186654529 883682301 /nfs/dbraw/zinc/68/23/01/883682301.db2.gz WVKWNSDTCOISFH-UHFFFAOYSA-N 0 0 382.464 3.905 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000186835501 883721382 /nfs/dbraw/zinc/72/13/82/883721382.db2.gz MNCSBCXSMNTTGW-LLVKDONJSA-N 0 0 378.454 3.719 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000186850960 883723523 /nfs/dbraw/zinc/72/35/23/883723523.db2.gz VOYNQATWMDPWHX-AAEUAGOBSA-N 0 0 380.491 3.899 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)NC2CCC(O)(c3cccnc3)CC2)cc1 ZINC000187286143 883777077 /nfs/dbraw/zinc/77/70/77/883777077.db2.gz YRBVUUNOQSADQX-JXMROGBWSA-N 0 0 380.488 3.829 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3cccc(C4SCCS4)c3)CC2)n[nH]1 ZINC000187513209 883798315 /nfs/dbraw/zinc/79/83/15/883798315.db2.gz WFTFPQWMWJTJOY-UHFFFAOYSA-N 0 0 389.550 3.551 10 0 GHAERN Cc1ccc(SC[C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000187600307 883802084 /nfs/dbraw/zinc/80/20/84/883802084.db2.gz OPWGHIRFVRDMIB-QGZVFWFLSA-N 0 0 397.544 3.539 10 0 GHAERN COc1cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c(SC)cc1OC ZINC000188487047 883853329 /nfs/dbraw/zinc/85/33/29/883853329.db2.gz FNEWNVNIKUBIRZ-CYBMUJFWSA-N 0 0 376.526 3.717 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188505641 883853858 /nfs/dbraw/zinc/85/38/58/883853858.db2.gz HEYDRSFPTMXMFB-UHFFFAOYSA-N 0 0 387.509 3.846 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(Br)s1)[C@@H]2C ZINC000188710513 883863368 /nfs/dbraw/zinc/86/33/68/883863368.db2.gz ZKONALDYSIJJHX-OKPNEXGHSA-N 0 0 395.326 3.842 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000188683221 883869978 /nfs/dbraw/zinc/86/99/78/883869978.db2.gz UQNHEOIMMFPPEU-HNNXBMFYSA-N 0 0 378.350 3.592 10 0 GHAERN CCOC(=O)c1sc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1C ZINC000188799395 883873037 /nfs/dbraw/zinc/87/30/37/883873037.db2.gz ITEDUZIMZULGPH-UHFFFAOYSA-N 0 0 394.522 3.798 10 0 GHAERN Cc1nc(NC(=O)N2CCC(Nc3nccs3)CC2)ccc1Br ZINC000189382285 883942846 /nfs/dbraw/zinc/94/28/46/883942846.db2.gz GLDNCPHJUFOFMB-UHFFFAOYSA-N 0 0 396.314 3.717 10 0 GHAERN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189644899 883976542 /nfs/dbraw/zinc/97/65/42/883976542.db2.gz DXUNFYOSFMZSHC-CYBMUJFWSA-N 0 0 384.382 3.933 10 0 GHAERN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)Nc1cn(C)nc1C ZINC000189662132 883983907 /nfs/dbraw/zinc/98/39/07/883983907.db2.gz FTCMBZANESKJEL-OAHLLOKOSA-N 0 0 393.285 3.869 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C[C@@H]1C ZINC000189882608 884004939 /nfs/dbraw/zinc/00/49/39/884004939.db2.gz AUBUVWDWRWDSEC-WDEREUQCSA-N 0 0 394.884 3.521 10 0 GHAERN O=C(c1ccc(-n2cc[nH]c2=S)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189856606 884017179 /nfs/dbraw/zinc/01/71/79/884017179.db2.gz PMSOTTLEOLFJTG-UHFFFAOYSA-N 0 0 391.496 3.870 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152858 884048835 /nfs/dbraw/zinc/04/88/35/884048835.db2.gz CCRLKUGASUYYCJ-NQIIRXRSSA-N 0 0 389.459 3.679 10 0 GHAERN COc1ccc(Br)c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190397061 884058786 /nfs/dbraw/zinc/05/87/86/884058786.db2.gz XOKZBAKFIIFSHP-UHFFFAOYSA-N 0 0 396.310 3.631 10 0 GHAERN O=C(c1cnc(-c2ncccn2)s1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190278135 884063269 /nfs/dbraw/zinc/06/32/69/884063269.db2.gz NCXXTCLCEZMDRP-LBPRGKRZSA-N 0 0 386.427 3.898 10 0 GHAERN Cn1cnc(-c2ccc(C(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)cc2)n1 ZINC000190276962 884063377 /nfs/dbraw/zinc/06/33/77/884063377.db2.gz SXHWPKLVKAAINA-MRXNPFEDSA-N 0 0 382.414 3.780 10 0 GHAERN COc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1-c1ccccn1 ZINC000190368616 884072883 /nfs/dbraw/zinc/07/28/83/884072883.db2.gz FTOSLSQCAMRITN-UHFFFAOYSA-N 0 0 394.500 3.930 10 0 GHAERN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190392191 884075077 /nfs/dbraw/zinc/07/50/77/884075077.db2.gz WDRKRPQCXCEDSS-UHFFFAOYSA-N 0 0 388.518 3.814 10 0 GHAERN CC(C)c1c(C(=O)N2CCC(n3cncn3)CC2)cnn1-c1ccccc1Cl ZINC000190792379 884123643 /nfs/dbraw/zinc/12/36/43/884123643.db2.gz MZACROAGKPDMMD-UHFFFAOYSA-N 0 0 398.898 3.718 10 0 GHAERN CCc1ccc([C@H]2CN(C(=O)c3cccc(CN4CCCC4=O)c3)CCO2)cc1 ZINC000190913706 884131627 /nfs/dbraw/zinc/13/16/27/884131627.db2.gz MBQKEDWVPNCMPB-JOCHJYFZSA-N 0 0 392.499 3.585 10 0 GHAERN CCOc1ccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000190922715 884131863 /nfs/dbraw/zinc/13/18/63/884131863.db2.gz AETXKXRCNFNSHK-UHFFFAOYSA-N 0 0 396.487 3.872 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CC2(CCOCC2)c2ccccc21 ZINC000191106804 884154069 /nfs/dbraw/zinc/15/40/69/884154069.db2.gz MHECFTRYHUYZQF-IBGZPJMESA-N 0 0 391.515 3.791 10 0 GHAERN COCCc1cc(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)n(C)n1 ZINC000192237208 884259740 /nfs/dbraw/zinc/25/97/40/884259740.db2.gz ISOFCLJVLFCYED-UHFFFAOYSA-N 0 0 382.468 3.562 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000102695939 884281886 /nfs/dbraw/zinc/28/18/86/884281886.db2.gz MXFBYTDNUZDSAG-UONOGXRCSA-N 0 0 376.884 3.885 10 0 GHAERN O=C(Nc1cccc(C(F)F)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192927068 884301444 /nfs/dbraw/zinc/30/14/44/884301444.db2.gz PNOMKPZYLBQWJP-UHFFFAOYSA-N 0 0 386.398 3.658 10 0 GHAERN Cn1nccc1C1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1 ZINC000124735341 884343167 /nfs/dbraw/zinc/34/31/67/884343167.db2.gz LAFWBHNGOGWVRM-UHFFFAOYSA-N 0 0 393.487 3.830 10 0 GHAERN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000193390092 884346981 /nfs/dbraw/zinc/34/69/81/884346981.db2.gz ZSBZAZMPIMKHGV-LJQANCHMSA-N 0 0 385.552 3.750 10 0 GHAERN COc1cc(CNC(=O)Nc2ccc(F)cc2C(F)(F)F)cc(OC)c1O ZINC000102800607 884464994 /nfs/dbraw/zinc/46/49/94/884464994.db2.gz CFNOGLPAQJVRQA-UHFFFAOYSA-N 0 0 388.317 3.889 10 0 GHAERN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2cccc(C)n2)c2ccccc2)cc1 ZINC000105596116 884819587 /nfs/dbraw/zinc/81/95/87/884819587.db2.gz DSMOPUDDYYOYLC-JOCHJYFZSA-N 0 0 387.483 3.876 10 0 GHAERN O=C(NC1CC1)c1ccc(CN(C(=O)c2cccc3ncccc32)C2CC2)cc1 ZINC000105759925 884854892 /nfs/dbraw/zinc/85/48/92/884854892.db2.gz RNFRWKGRVCLIBK-UHFFFAOYSA-N 0 0 385.467 3.932 10 0 GHAERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1 ZINC000103241582 884869642 /nfs/dbraw/zinc/86/96/42/884869642.db2.gz GKNQAEQSEUQWDH-CQSZACIVSA-N 0 0 385.899 3.918 10 0 GHAERN CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1F ZINC000106033701 884934864 /nfs/dbraw/zinc/93/48/64/884934864.db2.gz MWIHUNLCWHAPGB-SFHVURJKSA-N 0 0 385.439 3.537 10 0 GHAERN COc1ccccc1CCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000104459106 885453139 /nfs/dbraw/zinc/45/31/39/885453139.db2.gz IYCUXYHUGDHTJV-OAQYLSRUSA-N 0 0 394.515 3.557 10 0 GHAERN COc1cccc2c1CCN(C(=O)Nc1ccc(N3CCO[C@@H](C)C3)cc1)CC2 ZINC000193569981 885628850 /nfs/dbraw/zinc/62/88/50/885628850.db2.gz OSMQWLRWYVKMGP-KRWDZBQOSA-N 0 0 395.503 3.553 10 0 GHAERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc4[nH]ccc4c3)C2)n1 ZINC000103580652 885996961 /nfs/dbraw/zinc/99/69/61/885996961.db2.gz NFGWIAKNNUAVMY-INIZCTEOSA-N 0 0 377.448 3.754 10 0 GHAERN C[C@@H](Cc1cccs1)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000028412525 886113634 /nfs/dbraw/zinc/11/36/34/886113634.db2.gz FEGFIRBAFJYZPB-INIZCTEOSA-N 0 0 377.554 3.503 10 0 GHAERN CC(C)c1c(C(=O)N2CCC(n3cncn3)CC2)cnn1-c1cccc(Cl)c1 ZINC000109696938 886150811 /nfs/dbraw/zinc/15/08/11/886150811.db2.gz XOPUBUTXSADZIA-UHFFFAOYSA-N 0 0 398.898 3.718 10 0 GHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)C1 ZINC000109999188 886166986 /nfs/dbraw/zinc/16/69/86/886166986.db2.gz LPMMEZBLXRWFOF-GNISGLHKSA-N 0 0 375.476 3.827 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc3ccccc3c2O)CC1 ZINC000112394622 886261244 /nfs/dbraw/zinc/26/12/44/886261244.db2.gz QOQZTHVRPPNCPF-UHFFFAOYSA-N 0 0 380.469 3.595 10 0 GHAERN O=C(Nc1cccc(Cl)c1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112415393 886262044 /nfs/dbraw/zinc/26/20/44/886262044.db2.gz HPILSAZGVFVDFS-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000112912686 886277496 /nfs/dbraw/zinc/27/74/96/886277496.db2.gz CIEIHOFYZVJCJD-CVEARBPZSA-N 0 0 390.455 3.505 10 0 GHAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218131 886286453 /nfs/dbraw/zinc/28/64/53/886286453.db2.gz VCDPCBLDRBIHGB-IBGZPJMESA-N 0 0 398.470 3.677 10 0 GHAERN COc1ccc(CCCNC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000114826301 886328455 /nfs/dbraw/zinc/32/84/55/886328455.db2.gz QNRHPBLNSFQRNO-INIZCTEOSA-N 0 0 389.521 3.682 10 0 GHAERN COCCOc1ccc(F)cc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114814000 886328490 /nfs/dbraw/zinc/32/84/90/886328490.db2.gz XXKZWWVFGMIHLC-CYBMUJFWSA-N 0 0 379.457 3.719 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114811949 886329080 /nfs/dbraw/zinc/32/90/80/886329080.db2.gz UENIFDHPNCQBFN-ZDUSSCGKSA-N 0 0 379.457 3.719 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(C2CC2)no1 ZINC000114828870 886330411 /nfs/dbraw/zinc/33/04/11/886330411.db2.gz BWJWOBYFUHTYAZ-ZIAGYGMSSA-N 0 0 375.498 3.690 10 0 GHAERN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CC=C(c2cccs2)CC1 ZINC000117724431 886393101 /nfs/dbraw/zinc/39/31/01/886393101.db2.gz DXJCZKRLVBQQKR-UHFFFAOYSA-N 0 0 379.485 3.623 10 0 GHAERN Cc1noc([C@@H](NC(=O)N[C@H]2c3ccccc3CCC2(C)C)C2CCOCC2)n1 ZINC000332790376 886545364 /nfs/dbraw/zinc/54/53/64/886545364.db2.gz LFYLKCJIWAJZOG-OALUTQOASA-N 0 0 398.507 3.859 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@]2(CCOC2)C1)c1c(Cl)ccc(F)c1Cl ZINC000332811142 886550745 /nfs/dbraw/zinc/55/07/45/886550745.db2.gz XXRQTOGKHADAIN-PSVSLLHZSA-N 0 0 391.270 3.831 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC2(c3cccc(F)c3)CC2)c2ccccc2F)no1 ZINC000124317206 886730843 /nfs/dbraw/zinc/73/08/43/886730843.db2.gz BMANYUJJOKSCTL-KRWDZBQOSA-N 0 0 384.386 3.734 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@H]2CCc3ccccc3C2)c2ccccc2F)no1 ZINC000124566669 886766658 /nfs/dbraw/zinc/76/66/58/886766658.db2.gz IXHNKPNIVJQOLR-PXNSSMCTSA-N 0 0 394.450 3.805 10 0 GHAERN CCCOc1ccccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000043452514 886863010 /nfs/dbraw/zinc/86/30/10/886863010.db2.gz SLFSYFTVGZYKTL-INIZCTEOSA-N 0 0 379.464 3.930 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000125410630 886863667 /nfs/dbraw/zinc/86/36/67/886863667.db2.gz UNWXKSWJCPJNER-IRLDBZIGSA-N 0 0 396.535 3.552 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000125623788 886886230 /nfs/dbraw/zinc/88/62/30/886886230.db2.gz KYLUZQNCITVYQX-DHZHZOJOSA-N 0 0 398.890 3.783 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000126011017 886924975 /nfs/dbraw/zinc/92/49/75/886924975.db2.gz FJCJPDTVFMPFEK-LPHOPBHVSA-N 0 0 381.501 3.593 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000126500237 886974034 /nfs/dbraw/zinc/97/40/34/886974034.db2.gz RKZZHIOBNFKDQV-IAGOWNOFSA-N 0 0 390.553 3.724 10 0 GHAERN Cc1ccc(CCCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000044523690 886975667 /nfs/dbraw/zinc/97/56/67/886975667.db2.gz IBQINGYGYWBOFF-UHFFFAOYSA-N 0 0 382.479 3.878 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H](C)c2oc3ccccc3c2C)CC1 ZINC000128370589 887177612 /nfs/dbraw/zinc/17/76/12/887177612.db2.gz JEVKTELCBGHGSD-CQSZACIVSA-N 0 0 395.459 3.767 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000046517987 887206172 /nfs/dbraw/zinc/20/61/72/887206172.db2.gz GMVLYUZTNYUIDZ-UHFFFAOYSA-N 0 0 388.414 3.854 10 0 GHAERN CCOc1cc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000047581793 887341460 /nfs/dbraw/zinc/34/14/60/887341460.db2.gz CXDBCMVWFKATHM-OAHLLOKOSA-N 0 0 395.463 3.548 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)n1 ZINC000130499487 887439541 /nfs/dbraw/zinc/43/95/41/887439541.db2.gz YMQMPYKPLQVUCO-CQSZACIVSA-N 0 0 394.470 3.669 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000131058154 887503965 /nfs/dbraw/zinc/50/39/65/887503965.db2.gz VNHYWODPNWSPLH-OALUTQOASA-N 0 0 388.471 3.950 10 0 GHAERN O=C(NCCCCNc1ccccn1)NCc1cc(F)cc(Br)c1 ZINC000105171071 887765435 /nfs/dbraw/zinc/76/54/35/887765435.db2.gz MKJMVIFQUQJAPM-UHFFFAOYSA-N 0 0 395.276 3.675 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CCO2)o1 ZINC000134101290 887835295 /nfs/dbraw/zinc/83/52/95/887835295.db2.gz VWVGETYETUURCH-NRFANRHFSA-N 0 0 379.460 3.533 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000134333799 887860889 /nfs/dbraw/zinc/86/08/89/887860889.db2.gz YKMSMERWCGTFHH-HIFRSBDPSA-N 0 0 399.438 3.618 10 0 GHAERN O=C(NCCc1cc2ccccc2[nH]1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000136710273 888311163 /nfs/dbraw/zinc/31/11/63/888311163.db2.gz ZQKRHXMTFYDXCK-UHFFFAOYSA-N 0 0 396.535 3.535 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cc2)n1 ZINC000137315552 888348004 /nfs/dbraw/zinc/34/80/04/888348004.db2.gz YKEGNGLDKYHRII-SFHVURJKSA-N 0 0 393.447 3.940 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2Br)CC1)c1cccs1 ZINC000056440153 888360689 /nfs/dbraw/zinc/36/06/89/888360689.db2.gz YKQUDGKKYBACFI-UHFFFAOYSA-N 0 0 393.306 3.545 10 0 GHAERN COc1ccc(N(C)C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1Cl ZINC000137791260 888369920 /nfs/dbraw/zinc/36/99/20/888369920.db2.gz CIEYNHBSPRJOBS-INIZCTEOSA-N 0 0 376.865 3.815 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCOCCc1ccccc1 ZINC000057379817 888401778 /nfs/dbraw/zinc/40/17/78/888401778.db2.gz NDZYCKBESJLYDU-HXUWFJFHSA-N 0 0 398.528 3.645 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)/C=C/c3cccc4cccnc34)CC2)CC1 ZINC000058567960 888441722 /nfs/dbraw/zinc/44/17/22/888441722.db2.gz UBWXAKGPIAZJDD-BQYQJAHWSA-N 0 0 391.515 3.745 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1sccc1Br ZINC000060453754 888471654 /nfs/dbraw/zinc/47/16/54/888471654.db2.gz CALVSBOZOPWJBL-GFCCVEGCSA-N 0 0 397.319 3.630 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000195122265 888648052 /nfs/dbraw/zinc/64/80/52/888648052.db2.gz NWXXSTQFQMVEOM-UHFFFAOYSA-N 0 0 376.460 3.843 10 0 GHAERN COc1ccc(-c2noc(CN3CCC[C@@H](c4nccs4)C3)n2)c(OC)c1 ZINC000195441486 888665390 /nfs/dbraw/zinc/66/53/90/888665390.db2.gz FYWGADNMVILWFJ-CYBMUJFWSA-N 0 0 386.477 3.590 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000245404951 888745851 /nfs/dbraw/zinc/74/58/51/888745851.db2.gz RENJOMVJFPLXHU-PDIWNELESA-N 0 0 390.483 3.939 10 0 GHAERN COCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901401 889977130 /nfs/dbraw/zinc/97/71/30/889977130.db2.gz UENSTZARUJCIIW-RBUKOAKNSA-N 0 0 375.419 3.678 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000245974674 890115022 /nfs/dbraw/zinc/11/50/22/890115022.db2.gz WTTUZPSAAXUCAO-HZPDHXFCSA-N 0 0 390.530 3.647 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CCO1 ZINC000245983034 890124261 /nfs/dbraw/zinc/12/42/61/890124261.db2.gz PPSNBPKXBSGNQU-QYZOEREBSA-N 0 0 399.539 3.602 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436591 891240898 /nfs/dbraw/zinc/24/08/98/891240898.db2.gz DBYGUOYAFMERRZ-JKSUJKDBSA-N 0 0 379.551 3.666 10 0 GHAERN C[C@@H](C(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1)n1cccn1 ZINC000246717971 891300224 /nfs/dbraw/zinc/30/02/24/891300224.db2.gz NXWXTKVQWQIWII-SIFCLUCFSA-N 0 0 390.443 3.586 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cc2)CCO1 ZINC000246751115 891304076 /nfs/dbraw/zinc/30/40/76/891304076.db2.gz PMQFETUFRXPHKU-IIBYNOLFSA-N 0 0 399.466 3.656 10 0 GHAERN O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccco1)Nc1ccccc1Br ZINC000246752131 891304237 /nfs/dbraw/zinc/30/42/37/891304237.db2.gz VOICPURBDWDCLT-CZUORRHYSA-N 0 0 393.281 3.569 10 0 GHAERN CC1(C)[C@H](NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)[C@@H]2CCO[C@H]21 ZINC000247338512 891368233 /nfs/dbraw/zinc/36/82/33/891368233.db2.gz YKNIBCBPJYQLRP-DOIPELPJSA-N 0 0 391.467 3.684 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000247792751 891396234 /nfs/dbraw/zinc/39/62/34/891396234.db2.gz AYRNYSRVTTUKSV-XMMPIXPASA-N 0 0 399.494 3.856 10 0 GHAERN COC(=O)Nc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc(C(F)(F)F)c1 ZINC000248232704 891417625 /nfs/dbraw/zinc/41/76/25/891417625.db2.gz RMRZZIUJJODZIO-RRFJBIMHSA-N 0 0 386.370 3.571 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000248663964 891454722 /nfs/dbraw/zinc/45/47/22/891454722.db2.gz KKCWZKASXAWKDE-FMKPAKJESA-N 0 0 380.485 3.639 10 0 GHAERN CCCc1cc(=O)n2nc(N3C[C@H](c4cc(C)ccc4C)OC[C@H]3C)sc2n1 ZINC000248668102 891455888 /nfs/dbraw/zinc/45/58/88/891455888.db2.gz QRTIRXHPUQORGE-CRAIPNDOSA-N 0 0 398.532 3.687 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC(N(C)c3ccccc3)CC2)c1 ZINC000248779635 891468046 /nfs/dbraw/zinc/46/80/46/891468046.db2.gz PXOOXBBIPHAWBS-RBBKRZOGSA-N 0 0 394.515 3.935 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000249036121 891489186 /nfs/dbraw/zinc/48/91/86/891489186.db2.gz XLLQSEIIJFTLTB-OQMKEHIESA-N 0 0 396.274 3.777 10 0 GHAERN Cc1cc(C)c(N2CC[C@@H](N3CCC[C@@H](c4nncn4C(C)C)C3)C2=O)c(C)c1 ZINC000249045320 891490933 /nfs/dbraw/zinc/49/09/33/891490933.db2.gz HHEAWPJGCWRZQS-WOJBJXKFSA-N 0 0 395.551 3.769 10 0 GHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249141861 891498468 /nfs/dbraw/zinc/49/84/68/891498468.db2.gz YDDHFDFWJHSDGR-UAGQMJEPSA-N 0 0 376.522 3.508 10 0 GHAERN CC(C)c1ccc(OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000253607633 891883174 /nfs/dbraw/zinc/88/31/74/891883174.db2.gz MSNAWXBDEDWSEX-UHFFFAOYSA-N 0 0 386.536 3.830 10 0 GHAERN Cc1nnc([C@H]2CCCN(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)C2)[nH]1 ZINC000332961146 893342529 /nfs/dbraw/zinc/34/25/29/893342529.db2.gz LFYJPGZDAVYFQR-WMZOPIPTSA-N 0 0 395.507 3.839 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCO[C@@H](c2nccs2)C1 ZINC000111808324 898831658 /nfs/dbraw/zinc/83/16/58/898831658.db2.gz OZWNEXJMJMFPNT-UONOGXRCSA-N 0 0 379.482 3.602 10 0 GHAERN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)[C@@H]1CCc2ccccc21 ZINC000333026670 899902339 /nfs/dbraw/zinc/90/23/39/899902339.db2.gz GOEXXKXBBPSZEI-PKOBYXMFSA-N 0 0 395.503 3.969 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@H](C)c4ccccc43)C2)n(C)n1 ZINC000333063267 899930957 /nfs/dbraw/zinc/93/09/57/899930957.db2.gz BJAMUZATTWDRCO-KNBMTAEXSA-N 0 0 381.524 3.635 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333140777 899993610 /nfs/dbraw/zinc/99/36/10/899993610.db2.gz JIPZKOSKIJKALG-GQIGUUNPSA-N 0 0 387.549 3.754 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000333196023 900027988 /nfs/dbraw/zinc/02/79/88/900027988.db2.gz UDHLRLSICDJALX-LAVFITLUSA-N 0 0 387.505 3.782 10 0 GHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCO[C@@]2(CCCOC2)C1 ZINC000333505334 902141804 /nfs/dbraw/zinc/14/18/04/902141804.db2.gz KZDDRKUBWXCRQA-CRFBAAHOSA-N 0 0 399.318 3.688 10 0 GHAERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000333810774 902342178 /nfs/dbraw/zinc/34/21/78/902342178.db2.gz GNALPXUAMIENQE-RDTXWAMCSA-N 0 0 393.478 3.679 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N3CC[C@H](O)CC34CCC4)c2o1 ZINC000333818467 902347363 /nfs/dbraw/zinc/34/73/63/902347363.db2.gz HBHZNSRGHCCXID-LBPRGKRZSA-N 0 0 394.269 3.810 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000334016038 902503662 /nfs/dbraw/zinc/50/36/62/902503662.db2.gz YXGUVPYBNCMNAC-MIALQEHNSA-N 0 0 377.488 3.616 10 0 GHAERN O=C(CCOc1ccccc1-c1ccccc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181358243 906981523 /nfs/dbraw/zinc/98/15/23/906981523.db2.gz UVLZLXTZTSFSHO-IBGZPJMESA-N 0 0 376.460 3.994 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183425764 907386233 /nfs/dbraw/zinc/38/62/33/907386233.db2.gz YTXOOFDJCFYPJC-HNNXBMFYSA-N 0 0 390.875 3.956 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184084002 907513666 /nfs/dbraw/zinc/51/36/66/907513666.db2.gz WDUYRSSSBMYWQT-MRXNPFEDSA-N 0 0 389.419 3.767 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(-c2nc(C3CC3)no2)c1 ZINC000186346529 907912013 /nfs/dbraw/zinc/91/20/13/907912013.db2.gz DUOBTJCDEQCSQB-MRXNPFEDSA-N 0 0 393.451 3.800 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Br)cs1 ZINC000188024477 908168279 /nfs/dbraw/zinc/16/82/79/908168279.db2.gz CVXDWZFKKWUPFT-ZDUSSCGKSA-N 0 0 387.324 3.740 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188754505 908244883 /nfs/dbraw/zinc/24/48/83/908244883.db2.gz TZSGVRVLUUDTJG-SJCJKPOMSA-N 0 0 388.493 3.794 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000189132055 908287227 /nfs/dbraw/zinc/28/72/27/908287227.db2.gz HHNYLMOTVBCSHE-GXFFZTMASA-N 0 0 389.761 3.652 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000189424841 908319535 /nfs/dbraw/zinc/31/95/35/908319535.db2.gz VHNORYYXEBKUID-GXFFZTMASA-N 0 0 388.321 3.530 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3oc(C4CC4)nc3c2)cs1 ZINC000189446020 908324221 /nfs/dbraw/zinc/32/42/21/908324221.db2.gz KFJUPNQZMAZXIH-INIZCTEOSA-N 0 0 396.472 3.772 10 0 GHAERN COc1cc(-c2ccccc2)sc1C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190022243 908405342 /nfs/dbraw/zinc/40/53/42/908405342.db2.gz OUHOGHWBVGVSOE-GJZGRUSLSA-N 0 0 399.472 3.717 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 ZINC000190030544 908408283 /nfs/dbraw/zinc/40/82/83/908408283.db2.gz JLVYYLXSBHERTJ-ZSZQSSIHSA-N 0 0 386.496 3.745 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 ZINC000190127336 908432537 /nfs/dbraw/zinc/43/25/37/908432537.db2.gz GOIIAYBDOVVRSE-IEBWSBKVSA-N 0 0 397.479 3.983 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000190126006 908432726 /nfs/dbraw/zinc/43/27/26/908432726.db2.gz VANKDOABNDDQFU-AAEUAGOBSA-N 0 0 382.873 3.747 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OCCC(C)C)cc2)C1 ZINC000190132582 908434254 /nfs/dbraw/zinc/43/42/54/908434254.db2.gz RCJMYWCQXLONEV-MSOLQXFVSA-N 0 0 388.468 3.797 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000190149634 908439906 /nfs/dbraw/zinc/43/99/06/908439906.db2.gz YBLRICIXOQHVKB-RTBURBONSA-N 0 0 380.448 3.836 10 0 GHAERN Cc1nn2cc(CCCOC(=O)Cc3c(C)nn(CC(C)C)c3C)cnc2c1C ZINC000103817695 911240399 /nfs/dbraw/zinc/24/03/99/911240399.db2.gz CHILIDRJVZNAKL-UHFFFAOYSA-N 0 0 397.523 3.534 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1ccccc1F ZINC000363181949 917874259 /nfs/dbraw/zinc/87/42/59/917874259.db2.gz LYLRRIMLOMWKON-UHFFFAOYSA-N 0 0 394.368 3.879 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC(C(C)C)CC2)c2ccc(F)cc2C1 ZINC000185253057 1014576966 /nfs/dbraw/zinc/57/69/66/1014576966.db2.gz FIDYUCFLHSBBHO-HXUWFJFHSA-N 0 0 375.488 3.697 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2c2cccn2C)c2ccc(F)cc2C1 ZINC000185254017 1014577310 /nfs/dbraw/zinc/57/73/10/1014577310.db2.gz JSJLEPKRWGZNNO-PZJWPPBQSA-N 0 0 398.482 3.504 10 0 GHAERN CC(C)Oc1ccc2ccccc2c1CNC(=O)N1CCC(n2cncn2)CC1 ZINC000185437492 1014579180 /nfs/dbraw/zinc/57/91/80/1014579180.db2.gz KRWVPXJSALABSC-UHFFFAOYSA-N 0 0 393.491 3.765 10 0 GHAERN CCOc1c(F)cccc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185529333 1014585134 /nfs/dbraw/zinc/58/51/34/1014585134.db2.gz HHQYCFIFCHEORZ-LJQANCHMSA-N 0 0 388.414 3.587 10 0 GHAERN Cc1ccc(Cn2c(SCC(=O)NC(C)(C)C)nc3ccccc3c2=O)cc1 ZINC000003491785 209118374 /nfs/dbraw/zinc/11/83/74/209118374.db2.gz PKUSABXTEZGIAE-UHFFFAOYSA-N 0 0 395.528 3.760 10 0 GHAERN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccoc1I ZINC000090624532 206299486 /nfs/dbraw/zinc/29/94/86/206299486.db2.gz FGOWAXSNEFHYPO-UHFFFAOYSA-N 0 0 394.212 3.646 10 0 GHAERN COc1cccc(C(=O)Nc2cc3c(cc2Br)OCCCO3)c1 ZINC000000634146 206311183 /nfs/dbraw/zinc/31/11/83/206311183.db2.gz OILVVJOPMWSBKK-UHFFFAOYSA-N 0 0 378.222 3.871 10 0 GHAERN O=c1[nH]c(-c2cc(Cl)ccc2O)nc2ccc(I)cc12 ZINC000035050259 206305742 /nfs/dbraw/zinc/30/57/42/206305742.db2.gz YKUWEBOLBFABEK-UHFFFAOYSA-N 0 0 398.587 3.554 10 0 GHAERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O ZINC000001002935 206340663 /nfs/dbraw/zinc/34/06/63/206340663.db2.gz OMDGPBKEAHNZFQ-VHDJGTGISA-N 0 0 396.493 3.885 10 0 GHAERN COC(=O)c1c2c(sc1NC(=O)c1cc(OC)cc(OC)c1)C[C@@H](C)CC2 ZINC000001965156 206395524 /nfs/dbraw/zinc/39/55/24/206395524.db2.gz OBLWPQNSQUXTAX-NSHDSACASA-N 0 0 389.473 3.929 10 0 GHAERN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccc(O)cc1 ZINC000003109847 206459252 /nfs/dbraw/zinc/45/92/52/206459252.db2.gz LMDCMTQKMVIYNI-DHDCSXOGSA-N 0 0 388.832 3.721 10 0 GHAERN CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)[C@H]1CC13CCCCC3)CC2 ZINC000014741001 207027662 /nfs/dbraw/zinc/02/76/62/207027662.db2.gz YPWBRSZGBUNZAN-QGZVFWFLSA-N 0 0 387.524 3.571 10 0 GHAERN Cc1ncc(-c2ccc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)cc2)o1 ZINC000015777609 207061111 /nfs/dbraw/zinc/06/11/11/207061111.db2.gz QXAMOJWFUVUQMN-UHFFFAOYSA-N 0 0 386.473 3.916 10 0 GHAERN Cc1ccc(NC(=S)N(CCN2CCOCC2)C[C@H]2CC=CCC2)cc1C ZINC000017079164 207084124 /nfs/dbraw/zinc/08/41/24/207084124.db2.gz GPRZAYCDCKKGCL-FQEVSTJZSA-N 0 0 387.593 3.991 10 0 GHAERN COC(=O)CN1C(=O)S/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C1=O ZINC000018043885 207092518 /nfs/dbraw/zinc/09/25/18/207092518.db2.gz NFKBXPSOGYRPSL-DHDCSXOGSA-N 0 0 390.848 3.648 10 0 GHAERN C[C@H](Cc1cc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)on1)c1ccccc1 ZINC000020294724 207187280 /nfs/dbraw/zinc/18/72/80/207187280.db2.gz AGMFFJZZTKGHCY-QGZVFWFLSA-N 0 0 395.503 3.638 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)cc1C ZINC000020369809 207189999 /nfs/dbraw/zinc/18/99/99/207189999.db2.gz NCFUAWNXWITRBG-SFHVURJKSA-N 0 0 393.487 3.751 10 0 GHAERN CC(=O)N1CCOc2ccc(CN(C(=O)C(C)C)c3ccc(C)cc3)cc2C1 ZINC000021654030 207233709 /nfs/dbraw/zinc/23/37/09/207233709.db2.gz SZBSCRSBUALBCG-UHFFFAOYSA-N 0 0 380.488 3.925 10 0 GHAERN CNS(=O)(=O)c1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038003265 207249279 /nfs/dbraw/zinc/24/92/79/207249279.db2.gz KXJRKAAGLGIAIJ-VIFPVBQESA-N 0 0 375.313 3.592 10 0 GHAERN Cc1ccccc1CC(=O)N1CCO[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000022351606 207252305 /nfs/dbraw/zinc/25/23/05/207252305.db2.gz NBAXQYIFOLHPSR-IBGZPJMESA-N 0 0 393.405 3.863 10 0 GHAERN Cc1ccc(S(=O)(=O)Nc2cc(N)ccc2Cl)c(Br)c1 ZINC000038033762 207259754 /nfs/dbraw/zinc/25/97/54/207259754.db2.gz IYDAZYSRTHAZIC-UHFFFAOYSA-N 0 0 375.675 3.794 10 0 GHAERN O=C(/C=C\c1ccc(F)cc1)NCCCCNC(=O)/C=C\c1ccc(F)cc1 ZINC000033456711 207459108 /nfs/dbraw/zinc/45/91/08/207459108.db2.gz RGHUTMSLXLNMHM-PVRNWPCDSA-N 0 0 384.426 3.704 10 0 GHAERN CCOc1ccc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000058962458 207781632 /nfs/dbraw/zinc/78/16/32/207781632.db2.gz DZSOYVAYTMOPPD-QDZPFRKQSA-N 0 0 398.440 3.878 10 0 GHAERN CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(C)c3)[nH]c2=O)cn1 ZINC000072236004 207990930 /nfs/dbraw/zinc/99/09/30/207990930.db2.gz ZEMGXIUGBTZQPZ-UHFFFAOYSA-N 0 0 376.460 3.844 10 0 GHAERN COc1cc(/C=C\c2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O ZINC000083313002 208084799 /nfs/dbraw/zinc/08/47/99/208084799.db2.gz LGLDWERJNHENLY-BENRWUELSA-N 0 0 386.407 3.976 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H](COc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084071 208152105 /nfs/dbraw/zinc/15/21/05/208152105.db2.gz HCNXWVZRXGAVAC-CQSZACIVSA-N 0 0 384.480 3.840 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084284 208152774 /nfs/dbraw/zinc/15/27/74/208152774.db2.gz QEITVLLVUUXOTD-MZHQLVBMSA-N 0 0 395.912 3.648 10 0 GHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1Cc1ccc(Br)nc1 ZINC000095087420 208154939 /nfs/dbraw/zinc/15/49/39/208154939.db2.gz IEAPXQRSRBNVQN-AWEZNQCLSA-N 0 0 384.318 3.723 10 0 GHAERN CCN(CC)c1ccc(NC(=O)c2cc3ccccc3cc2OCC(N)=O)cc1 ZINC000020608682 208816115 /nfs/dbraw/zinc/81/61/15/208816115.db2.gz ZQJWVTVZMNRCOQ-UHFFFAOYSA-N 0 0 391.471 3.802 10 0 GHAERN CCCN1c2cc(C(=O)Nc3cccc(CC)c3)ccc2N2C(=O)CC[C@H]2C1=O ZINC000065202183 136160023 /nfs/dbraw/zinc/16/00/23/136160023.db2.gz QYGOEWCMOMVYHP-IBGZPJMESA-N 0 0 391.471 3.753 10 0 GHAERN CCCN1c2cc(C(=O)Nc3cccc(CC)c3)ccc2N2C(=O)CC[C@@H]2C1=O ZINC000065202180 136160050 /nfs/dbraw/zinc/16/00/50/136160050.db2.gz QYGOEWCMOMVYHP-LJQANCHMSA-N 0 0 391.471 3.753 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCCN(c3cnc4nccnc4c3)C2)cc1Cl ZINC000065226984 136160379 /nfs/dbraw/zinc/16/03/79/136160379.db2.gz MUFOYHRENLHKON-CQSZACIVSA-N 0 0 381.867 3.842 10 0 GHAERN CCCc1nc2sccc2c(N2CCN(C3=NCC(C)(C)S3)CC2)n1 ZINC000095080575 136177694 /nfs/dbraw/zinc/17/76/94/136177694.db2.gz SSSKRLNHZJRRDE-UHFFFAOYSA-N 0 0 375.567 3.647 10 0 GHAERN Nc1ncnc2c1nc(SCc1nc3ccccc3[nH]1)n2Cc1ccccc1 ZINC000033373794 570407570 /nfs/dbraw/zinc/40/75/70/570407570.db2.gz GYHVKQKBJRRWLM-UHFFFAOYSA-N 0 0 387.472 3.625 10 0 GHAERN CCn1c(C)cc(C(=O)CN(c2ccncc2)S(=O)(=O)c2ccccc2)c1C ZINC000011887863 570443270 /nfs/dbraw/zinc/44/32/70/570443270.db2.gz VHFOBXIEDBUCQP-UHFFFAOYSA-N 0 0 397.500 3.598 10 0 GHAERN C[C@@H]1CCC[C@@H](NC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccccc2)[C@@H]1C ZINC000006725087 570490266 /nfs/dbraw/zinc/49/02/66/570490266.db2.gz ILZRRURGSORJTI-ZYFHCTRVSA-N 0 0 393.487 3.825 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060381 570524713 /nfs/dbraw/zinc/52/47/13/570524713.db2.gz VQDVNEWLHHALHS-FCHUYYIVSA-N 0 0 394.515 3.552 10 0 GHAERN COC(=O)CCC(=O)NC[C@@H]1Cc2cc(C)cc(-c3ccc(Cl)cc3)c2O1 ZINC000012283629 570632861 /nfs/dbraw/zinc/63/28/61/570632861.db2.gz OCPFGKDMEWRANC-KRWDZBQOSA-N 0 0 387.863 3.688 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1ccncc1)CC2 ZINC000275929957 570700507 /nfs/dbraw/zinc/70/05/07/570700507.db2.gz KNHAFOZTZXLEOT-SFHVURJKSA-N 0 0 384.505 3.578 10 0 GHAERN COCCNC(=O)c1cc2cc(NC(=O)C3CCC3)ccc2n1CCC(C)C ZINC000105557100 570929677 /nfs/dbraw/zinc/92/96/77/570929677.db2.gz VVGDXNUAWCWJOL-UHFFFAOYSA-N 0 0 385.508 3.802 10 0 GHAERN CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(C)cc2C)CC1 ZINC000045967166 571008113 /nfs/dbraw/zinc/00/81/13/571008113.db2.gz BXDVLOSVTSEITF-UHFFFAOYSA-N 0 0 390.487 3.608 10 0 GHAERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1 ZINC000106041034 837664535 /nfs/dbraw/zinc/66/45/35/837664535.db2.gz TUISPPHCNXVVQK-MRXNPFEDSA-N 0 0 376.460 3.892 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000105995326 837673827 /nfs/dbraw/zinc/67/38/27/837673827.db2.gz RIKAKUBOKVVBRO-YGRLFVJLSA-N 0 0 398.315 3.932 10 0 GHAERN Cc1csc(C2CCN(CCCOc3ccc(S(C)(=O)=O)cc3)CC2)n1 ZINC000156782620 834553319 /nfs/dbraw/zinc/55/33/19/834553319.db2.gz LORVHCVULRJTIH-UHFFFAOYSA-N 0 0 394.562 3.504 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2c(C)cc(N(C)C)cc2C)c2ccccc2)[nH]1 ZINC000156941457 834658037 /nfs/dbraw/zinc/65/80/37/834658037.db2.gz FJHITBTXFFIDHV-LJQANCHMSA-N 0 0 378.480 3.707 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)nc1 ZINC000157708930 835062362 /nfs/dbraw/zinc/06/23/62/835062362.db2.gz PXHOAPYKOJTMGN-UHFFFAOYSA-N 0 0 376.504 3.979 10 0 GHAERN CC(=O)c1ccc(OCCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000157806917 835106214 /nfs/dbraw/zinc/10/62/14/835106214.db2.gz OVPIBPWOEDUCSH-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN COCCN(Cc1sccc1Br)C(=O)/C=C\c1cccnc1 ZINC000588586364 835228735 /nfs/dbraw/zinc/22/87/35/835228735.db2.gz YPEUWAFYMHWKAS-PLNGDYQASA-N 0 0 381.295 3.594 10 0 GHAERN Cc1cc(C[C@@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]n1 ZINC000158215267 835276740 /nfs/dbraw/zinc/27/67/40/835276740.db2.gz DXKZLVFPTQSDBI-QAPCUYQASA-N 0 0 392.507 3.628 10 0 GHAERN O=C(CCc1ccccc1O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000101520969 835298614 /nfs/dbraw/zinc/29/86/14/835298614.db2.gz YUEWMXFSSMFCGU-GOSISDBHSA-N 0 0 390.277 3.687 10 0 GHAERN Cc1ccc(-c2noc(CCC(=O)Nc3cccc(-c4ncon4)c3)n2)cc1F ZINC000101525086 835305868 /nfs/dbraw/zinc/30/58/68/835305868.db2.gz LSUGANVUQFIYPN-UHFFFAOYSA-N 0 0 393.378 3.805 10 0 GHAERN CCCN(CC1CC1)S(=O)(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000329630705 835468612 /nfs/dbraw/zinc/46/86/12/835468612.db2.gz RALPNLYCHUQVOU-INIZCTEOSA-N 0 0 385.599 3.813 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)N1CCCN(c2cccnn2)CC1 ZINC000158967665 835665033 /nfs/dbraw/zinc/66/50/33/835665033.db2.gz JNNGJMSEDKOCIV-UHFFFAOYSA-N 0 0 379.436 3.536 10 0 GHAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)CC3CCC(c4ccccc4)CC3)C2)n[nH]1 ZINC000329681257 835670432 /nfs/dbraw/zinc/67/04/32/835670432.db2.gz WUNFLIFUHUWJOW-NKELODKYSA-N 0 0 394.519 3.579 10 0 GHAERN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000152704260 835675096 /nfs/dbraw/zinc/67/50/96/835675096.db2.gz AXOMFVRALPGBBW-VQIMIIECSA-N 0 0 378.538 3.510 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CCO2)o1 ZINC000159187668 835752984 /nfs/dbraw/zinc/75/29/84/835752984.db2.gz JDNOKRNDGAFIRS-HNNXBMFYSA-N 0 0 379.338 3.629 10 0 GHAERN O=C(NCCSCc1cccc2ccccc21)N1CCC(n2cncn2)CC1 ZINC000101991873 835765314 /nfs/dbraw/zinc/76/53/14/835765314.db2.gz SPRPREPUSFQFGT-UHFFFAOYSA-N 0 0 395.532 3.711 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)C[C@H]1C ZINC000187956329 835808714 /nfs/dbraw/zinc/80/87/14/835808714.db2.gz YEEBLZVFSQKGRR-TZMCWYRMSA-N 0 0 398.297 3.508 10 0 GHAERN CC(C)(C)c1ccc2cc(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)[nH]c2c1 ZINC000329749193 835862326 /nfs/dbraw/zinc/86/23/26/835862326.db2.gz HHWQBBDOECVNFS-QGZVFWFLSA-N 0 0 377.492 3.654 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnc1N1CCCC[C@@H]1C ZINC000296842246 835942488 /nfs/dbraw/zinc/94/24/88/835942488.db2.gz NYFYANMFPOCDBG-DOTOQJQBSA-N 0 0 383.500 3.646 10 0 GHAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000246059288 835966012 /nfs/dbraw/zinc/96/60/12/835966012.db2.gz YZMKYYTXXADSLH-OAGGEKHMSA-N 0 0 377.558 3.525 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000246124081 835969470 /nfs/dbraw/zinc/96/94/70/835969470.db2.gz KMXJRACKLOGTDV-MUJYYYPQSA-N 0 0 393.915 3.610 10 0 GHAERN O=C(c1cc2c(ccc3ccccc23)[nH]1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000112896047 836302369 /nfs/dbraw/zinc/30/23/69/836302369.db2.gz XDGLHAOXWRYQIU-FQEVSTJZSA-N 0 0 393.512 3.501 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)NCCc2nc(C(C)(C)C)cs2)C1 ZINC000152922664 836412651 /nfs/dbraw/zinc/41/26/51/836412651.db2.gz YUTCMPSLJVKUPV-HNNXBMFYSA-N 0 0 389.569 3.789 10 0 GHAERN C[C@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332728728 836491309 /nfs/dbraw/zinc/49/13/09/836491309.db2.gz XDTCFEMJFRZDJG-ZBEGNZNMSA-N 0 0 396.318 3.823 10 0 GHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000275376242 836944883 /nfs/dbraw/zinc/94/48/83/836944883.db2.gz OLJWDUUCHUASMF-OCCSQVGLSA-N 0 0 375.494 3.593 10 0 GHAERN C[C@@H]1CC(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C[C@@H](C)O1 ZINC000332920683 836986822 /nfs/dbraw/zinc/98/68/22/836986822.db2.gz GAVLCJTXZCFWJY-CLUVUEOHSA-N 0 0 394.924 3.589 10 0 GHAERN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N1CC[C@H](CCO)C1 ZINC000332914750 836990074 /nfs/dbraw/zinc/99/00/74/836990074.db2.gz RIRBKTROFWQGSS-CZUORRHYSA-N 0 0 389.496 3.741 10 0 GHAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000105244674 837972363 /nfs/dbraw/zinc/97/23/63/837972363.db2.gz MPYJGOYMGOSRNR-UXHICEINSA-N 0 0 377.573 3.881 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179436786 838360325 /nfs/dbraw/zinc/36/03/25/838360325.db2.gz TXPQXHRJXAHTIY-UHFFFAOYSA-N 0 0 393.418 3.972 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000178454209 838366817 /nfs/dbraw/zinc/36/68/17/838366817.db2.gz FGOHYORRCNTNCD-JOQOYGCGSA-N 0 0 381.314 3.847 10 0 GHAERN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1nnc(C(C)C)n1C ZINC000588468140 844320552 /nfs/dbraw/zinc/32/05/52/844320552.db2.gz ADDLONPSHCAZLY-KHPPLWFESA-N 0 0 393.491 3.605 10 0 GHAERN CC(=O)Nc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000106311439 838497865 /nfs/dbraw/zinc/49/78/65/838497865.db2.gz SKWMPXHUTDUOEI-UHFFFAOYSA-N 0 0 397.450 3.583 10 0 GHAERN Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2c2cccc(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408062843 838500251 /nfs/dbraw/zinc/50/02/51/838500251.db2.gz OVWDUQIXIYJHMD-DOTOQJQBSA-N 0 0 384.451 3.565 10 0 GHAERN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116776708 839414565 /nfs/dbraw/zinc/41/45/65/839414565.db2.gz DMMBYTKVVOMSCK-QUCCMNQESA-N 0 0 396.535 3.652 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174867824 839625351 /nfs/dbraw/zinc/62/53/51/839625351.db2.gz AUCXMNNYJICSJA-ILZDJORESA-N 0 0 396.512 3.604 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)/C=C/c3ccc(NC(C)=O)cc3)c2)o1 ZINC000175366079 839729435 /nfs/dbraw/zinc/72/94/35/839729435.db2.gz BCKMCFHDIACBFR-FMIVXFBMSA-N 0 0 376.416 3.909 10 0 GHAERN COc1ccc(C2(C(=O)Nc3ncn(-c4ccccn4)n3)CC3(CCC3)C2)cc1 ZINC000377565181 839743055 /nfs/dbraw/zinc/74/30/55/839743055.db2.gz QVMPEYDXUOQOAT-UHFFFAOYSA-N 0 0 389.459 3.512 10 0 GHAERN O=C(NCc1cc(Cl)sc1Cl)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000408085996 840335532 /nfs/dbraw/zinc/33/55/32/840335532.db2.gz FMQRONHZVVEIJK-QMTHXVAHSA-N 0 0 381.350 3.909 10 0 GHAERN O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000109052983 840666046 /nfs/dbraw/zinc/66/60/46/840666046.db2.gz XQYLMLYQNCBOTA-INIZCTEOSA-N 0 0 396.516 3.907 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208389 840761254 /nfs/dbraw/zinc/76/12/54/840761254.db2.gz VPEQBNYYRZXMTP-DZGCQCFKSA-N 0 0 385.537 3.850 10 0 GHAERN Cn1ncc(N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(Br)c1=O ZINC000301714129 841233367 /nfs/dbraw/zinc/23/33/67/841233367.db2.gz LZVXCCWZOPGOJV-CYBMUJFWSA-N 0 0 390.281 3.791 10 0 GHAERN O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408168341 841667728 /nfs/dbraw/zinc/66/77/28/841667728.db2.gz GCMNKXFOMITDRX-GVDBMIGSSA-N 0 0 381.314 3.674 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000588434048 842435492 /nfs/dbraw/zinc/43/54/92/842435492.db2.gz RDUOKDQJYSRVCV-PLNGDYQASA-N 0 0 389.279 3.569 10 0 GHAERN Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000588434619 842511761 /nfs/dbraw/zinc/51/17/61/842511761.db2.gz QMZBIURLAYQBTP-AFNCTOJWSA-N 0 0 382.888 3.613 10 0 GHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000328847233 842575665 /nfs/dbraw/zinc/57/56/65/842575665.db2.gz YAVCKBUYHRBNCF-RBUKOAKNSA-N 0 0 380.444 3.804 10 0 GHAERN CCOc1cc2c(cc1CN1C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C1=O)O[C@H](C)C2 ZINC000329368974 861336726 /nfs/dbraw/zinc/33/67/26/861336726.db2.gz LKVBRUMOBZQLHD-NONVJHHQSA-N 0 0 384.476 3.504 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnn(C4CCOCC4)c3C)C2)cc1 ZINC000163242658 842974249 /nfs/dbraw/zinc/97/42/49/842974249.db2.gz VJEKSHFZTQNPAE-MAUKXSAKSA-N 0 0 383.492 3.570 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CCO1 ZINC000161731380 843131717 /nfs/dbraw/zinc/13/17/17/843131717.db2.gz FDCZUQCYWCOEPF-ZWKOTPCHSA-N 0 0 382.508 3.923 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3nc(C4CCCCC4)no3)CCO2)o1 ZINC000161854477 843144817 /nfs/dbraw/zinc/14/48/17/843144817.db2.gz LPUBPIVJWHNONU-RHSMWYFYSA-N 0 0 388.468 3.863 10 0 GHAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000122760833 843236420 /nfs/dbraw/zinc/23/64/20/843236420.db2.gz KOBVROCNZSJOOP-ABAIWWIYSA-N 0 0 397.846 3.675 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(Cc3nccn3C)CC2)ccc1OC(C)C ZINC000162615370 843286292 /nfs/dbraw/zinc/28/62/92/843286292.db2.gz UYVGHXXTAJWHHY-SOFGYWHQSA-N 0 0 397.519 3.710 10 0 GHAERN COC(=O)c1ccc(NC(=O)/C=C\c2ncccc2C)c(OCC(F)(F)F)c1 ZINC000588452754 843306636 /nfs/dbraw/zinc/30/66/36/843306636.db2.gz TULWYDIMDFCSHF-FPLPWBNLSA-N 0 0 394.349 3.770 10 0 GHAERN COCCc1noc(-c2cc(Cl)ccc2NC(=O)/C=C\c2ncccc2C)n1 ZINC000588453908 843332084 /nfs/dbraw/zinc/33/20/84/843332084.db2.gz WTFLMQLQTZWCBL-FPLPWBNLSA-N 0 0 398.850 3.934 10 0 GHAERN CC(C)(C)C(=O)N1CCN(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000408258568 843617094 /nfs/dbraw/zinc/61/70/94/843617094.db2.gz YJOPEBQABRTDLJ-UHFFFAOYSA-N 0 0 395.906 3.625 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000332957283 844808171 /nfs/dbraw/zinc/80/81/71/844808171.db2.gz CLXIHBHGRAOQPO-DOTOQJQBSA-N 0 0 396.413 3.721 10 0 GHAERN Cc1sc2ncnc(SCCC(=O)N3CCO[C@H]4CCCC[C@@H]43)c2c1C ZINC000329015795 845283551 /nfs/dbraw/zinc/28/35/51/845283551.db2.gz QHPYKWUSIGYROM-GJZGRUSLSA-N 0 0 391.562 3.960 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000248978609 845484181 /nfs/dbraw/zinc/48/41/81/845484181.db2.gz RSCMTBHEYQHHCY-FUMNGEBKSA-N 0 0 377.444 3.623 10 0 GHAERN C[C@@H](NC(=O)Nc1cc([C@H]2CCCO2)nn1C)c1cccc(Br)c1 ZINC000333021909 845588673 /nfs/dbraw/zinc/58/86/73/845588673.db2.gz JIRXXFKIWRBLSR-IAQYHMDHSA-N 0 0 393.285 3.917 10 0 GHAERN COc1ccc(-c2ncc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)s2)cc1 ZINC000151730181 845614365 /nfs/dbraw/zinc/61/43/65/845614365.db2.gz PRXFXTKOENMTJK-KRWDZBQOSA-N 0 0 384.457 3.934 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccccc3S(C)(=O)=O)C2)cc1 ZINC000151783028 845730878 /nfs/dbraw/zinc/73/08/78/845730878.db2.gz LSOMAJKSMYXQAN-HOCLYGCPSA-N 0 0 388.489 3.509 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@@H](O)CC12CCC2 ZINC000333526394 845732664 /nfs/dbraw/zinc/73/26/64/845732664.db2.gz LMCZFAGBRRDFSN-LLVKDONJSA-N 0 0 380.901 3.713 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cccnc1SC(F)(F)F ZINC000151800250 845789533 /nfs/dbraw/zinc/78/95/33/845789533.db2.gz XQZAWYAFEGGTIL-LLVKDONJSA-N 0 0 385.415 3.673 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)cc1 ZINC000151887061 845950344 /nfs/dbraw/zinc/95/03/44/845950344.db2.gz VMAMXLIDMHHIBF-WMLDXEAASA-N 0 0 379.460 3.990 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3cn(C)c4ccccc34)CC2)n1 ZINC000151968584 846064687 /nfs/dbraw/zinc/06/46/87/846064687.db2.gz BHOPFHDRVUAIOX-UHFFFAOYSA-N 0 0 376.504 3.600 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H]2CCN(C)c3ccccc32)cc1 ZINC000151982718 846101552 /nfs/dbraw/zinc/10/15/52/846101552.db2.gz ZDVNVSQACJBHLI-HXUWFJFHSA-N 0 0 393.531 3.655 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@H](Cc3nccn3C)C2)ccc1OC(C)C ZINC000119665790 846198453 /nfs/dbraw/zinc/19/84/53/846198453.db2.gz JKQDMLJTMMAXNV-LHUXKHBRSA-N 0 0 397.519 3.710 10 0 GHAERN C[C@@]12CN(C(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333531965 846229320 /nfs/dbraw/zinc/22/93/20/846229320.db2.gz QGZXSGVDNGUADJ-OADNYAGASA-N 0 0 391.515 3.631 10 0 GHAERN CC(C)Cc1ccc(/C=C/C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cc1 ZINC000152212848 846412282 /nfs/dbraw/zinc/41/22/82/846412282.db2.gz KKOBZUORYIFREM-UVIRAJKCSA-N 0 0 381.520 3.604 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333544905 846510665 /nfs/dbraw/zinc/51/06/65/846510665.db2.gz SRKIIQBISATHQP-XCLVFQIOSA-N 0 0 396.491 3.564 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000588513654 846898809 /nfs/dbraw/zinc/89/88/09/846898809.db2.gz NEDDTKXMNWXIEY-WHLNPGIBSA-N 0 0 375.394 3.817 10 0 GHAERN Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cc1 ZINC000329596708 861731933 /nfs/dbraw/zinc/73/19/33/861731933.db2.gz IUDCXRHJPNXBAW-MRXNPFEDSA-N 0 0 378.476 3.889 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(c2cccc(Cl)c2)CCCC1 ZINC000118670905 847033976 /nfs/dbraw/zinc/03/39/76/847033976.db2.gz FDBHHCGSURCYCM-GOSISDBHSA-N 0 0 384.911 3.727 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c2ccccc21 ZINC000329610771 861772011 /nfs/dbraw/zinc/77/20/11/861772011.db2.gz JKUIOIIWSCSLKZ-GHTZIAJQSA-N 0 0 394.519 3.631 10 0 GHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588554287 848522478 /nfs/dbraw/zinc/52/24/78/848522478.db2.gz QBODEKSMYVGQII-RAXLEYEMSA-N 0 0 397.500 3.601 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121089631 848691504 /nfs/dbraw/zinc/69/15/04/848691504.db2.gz AFTMOIVZWWVYHT-ZPAUEYIPSA-N 0 0 392.368 3.903 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)c1ccncc1 ZINC000154076125 849181782 /nfs/dbraw/zinc/18/17/82/849181782.db2.gz WKYATQPJUGXEII-VGSWGCGISA-N 0 0 385.467 3.526 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 ZINC000329126384 849306390 /nfs/dbraw/zinc/30/63/90/849306390.db2.gz YMTTZIYJDVMSEP-RTBURBONSA-N 0 0 397.544 3.862 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3c2cnn3C)ccc1OC(F)F ZINC000154909230 849404161 /nfs/dbraw/zinc/40/41/61/849404161.db2.gz LPRYSJOUHVKFGU-HQPKTYMTSA-N 0 0 391.418 3.579 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155812705 849657234 /nfs/dbraw/zinc/65/72/34/849657234.db2.gz KJOOXFASRBZQHT-HOTGVXAUSA-N 0 0 393.553 3.527 10 0 GHAERN CC[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc(Cl)c1 ZINC000156182255 849792164 /nfs/dbraw/zinc/79/21/64/849792164.db2.gz OLEPLAHQNFZRJE-SFHVURJKSA-N 0 0 390.915 3.569 10 0 GHAERN NC(=O)[C@@H]1Cc2ccccc2N1Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000101547624 851670545 /nfs/dbraw/zinc/67/05/45/851670545.db2.gz FJGKIRXCMJVNCX-SFHVURJKSA-N 0 0 383.904 3.804 10 0 GHAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000101976901 852062822 /nfs/dbraw/zinc/06/28/22/852062822.db2.gz IDVIBTZUAPXENK-UWJYYQICSA-N 0 0 383.492 3.707 10 0 GHAERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333944390 853250806 /nfs/dbraw/zinc/25/08/06/853250806.db2.gz RXFDMOGMDNNAPL-ZDPZECHZSA-N 0 0 387.499 3.585 10 0 GHAERN CCC(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000003505990 862459036 /nfs/dbraw/zinc/45/90/36/862459036.db2.gz BJDDSJFPQLXBAF-UHFFFAOYSA-N 0 0 380.488 3.624 10 0 GHAERN C[C@@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000046536353 854299073 /nfs/dbraw/zinc/29/90/73/854299073.db2.gz MRSPSGIGILJMMQ-LLVKDONJSA-N 0 0 383.926 3.692 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000328737579 854521698 /nfs/dbraw/zinc/52/16/98/854521698.db2.gz LTWOJJALVPHGJY-OAGGEKHMSA-N 0 0 378.398 3.989 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000328950066 854614055 /nfs/dbraw/zinc/61/40/55/854614055.db2.gz NGXJGJHXTINFGV-UFYCRDLUSA-N 0 0 394.519 3.689 10 0 GHAERN C[C@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000054065022 854859605 /nfs/dbraw/zinc/85/96/05/854859605.db2.gz GRAAYIDYHKTLOD-ZDUSSCGKSA-N 0 0 377.897 3.630 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCC[C@@H]1c1nccs1)C2 ZINC000332934975 854927313 /nfs/dbraw/zinc/92/73/13/854927313.db2.gz HVQCIHUMLZOZQI-HUUCEWRRSA-N 0 0 387.553 3.889 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CC2)on1 ZINC000056420063 855403149 /nfs/dbraw/zinc/40/31/49/855403149.db2.gz DVGQUPNWNAGSJQ-KRWDZBQOSA-N 0 0 384.524 3.869 10 0 GHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000180338331 855455310 /nfs/dbraw/zinc/45/53/10/855455310.db2.gz HWYGUBRLYOBNEA-BDJLRTHQSA-N 0 0 377.286 3.573 10 0 GHAERN Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cccc1N1CCNC1=O ZINC000190662949 855497623 /nfs/dbraw/zinc/49/76/23/855497623.db2.gz HAVXZSWGTCTNIP-OAHLLOKOSA-N 0 0 383.414 3.575 10 0 GHAERN CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cc1 ZINC000156338218 855998744 /nfs/dbraw/zinc/99/87/44/855998744.db2.gz GZPCRJIZSRPSLO-QGZVFWFLSA-N 0 0 375.538 3.556 10 0 GHAERN C[C@@H](NC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1Cl ZINC000103298176 856115534 /nfs/dbraw/zinc/11/55/34/856115534.db2.gz ZUTNQLGGJSGJPA-CYBMUJFWSA-N 0 0 397.857 3.520 10 0 GHAERN CC(=O)Nc1cc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)ccc1C ZINC000104121101 856312556 /nfs/dbraw/zinc/31/25/56/856312556.db2.gz TWIDOIQZGDJTAB-INIZCTEOSA-N 0 0 383.467 3.612 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000135262022 859497011 /nfs/dbraw/zinc/49/70/11/859497011.db2.gz VBWQCLBTJSTIMI-CYZMBNFOSA-N 0 0 379.291 3.902 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000135262064 859497225 /nfs/dbraw/zinc/49/72/25/859497225.db2.gz VBWQCLBTJSTIMI-UHTWSYAYSA-N 0 0 379.291 3.902 10 0 GHAERN Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nncs1 ZINC000021215271 860226460 /nfs/dbraw/zinc/22/64/60/860226460.db2.gz JZVXOJVYRIHKLX-UHFFFAOYSA-N 0 0 375.251 3.923 10 0 GHAERN COc1ccccc1CC1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000102410515 860262636 /nfs/dbraw/zinc/26/26/36/860262636.db2.gz YKUGFHMGKPXNMY-KRWDZBQOSA-N 0 0 384.524 3.754 10 0 GHAERN CN(C(=O)N[C@@H](c1ccccc1)C1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152879143 860298497 /nfs/dbraw/zinc/29/84/97/860298497.db2.gz UYXDTXLGPWXXIZ-FPOVZHCZSA-N 0 0 379.508 3.628 10 0 GHAERN O=C(c1ccccc1Br)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024141751 860314729 /nfs/dbraw/zinc/31/47/29/860314729.db2.gz QLSONOAWALAMJH-UHFFFAOYSA-N 0 0 393.325 3.704 10 0 GHAERN O=C(NCc1ccccc1-n1ccnc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102941027 860912010 /nfs/dbraw/zinc/91/20/10/860912010.db2.gz MOMMMEURMKTWFP-LJQANCHMSA-N 0 0 390.443 3.648 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CCCC1(C)C ZINC000102959749 860920116 /nfs/dbraw/zinc/92/01/16/860920116.db2.gz UAAFYKGSSYMVIL-UHFFFAOYSA-N 0 0 382.302 3.670 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000329020977 860951907 /nfs/dbraw/zinc/95/19/07/860951907.db2.gz HWAGLQAPMUMJJZ-IOASZLSFSA-N 0 0 377.847 3.523 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000329046593 860975168 /nfs/dbraw/zinc/97/51/68/860975168.db2.gz QBMNYFRDSBWCOS-INMHGKMJSA-N 0 0 393.409 3.749 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000329112162 861032130 /nfs/dbraw/zinc/03/21/30/861032130.db2.gz HAELTGSMCZSZDU-NXWXRZEISA-N 0 0 377.529 3.594 10 0 GHAERN CN(C(=O)CCc1nc(-c2ccncc2)no1)[C@@H](c1ccccc1)C(F)(F)F ZINC000103050072 863846142 /nfs/dbraw/zinc/84/61/42/863846142.db2.gz GADCLYUIBWPHTE-KRWDZBQOSA-N 0 0 390.365 3.826 10 0 GHAERN COCCOc1ccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103180004 863903626 /nfs/dbraw/zinc/90/36/26/863903626.db2.gz LYYISQKPHVLDOU-UHFFFAOYSA-N 0 0 381.476 3.543 10 0 GHAERN Cc1cc(NC(=O)C(C)(C)c2cccc(Br)c2)ccc1C(N)=O ZINC000103407456 864011800 /nfs/dbraw/zinc/01/18/00/864011800.db2.gz VPIMLDACLNNZHQ-UHFFFAOYSA-N 0 0 375.266 3.773 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000103856402 864080752 /nfs/dbraw/zinc/08/07/52/864080752.db2.gz IXFJSENKSPDNII-UHFFFAOYSA-N 0 0 383.492 3.818 10 0 GHAERN Cc1ccncc1NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000104455225 864325041 /nfs/dbraw/zinc/32/50/41/864325041.db2.gz HXWWYDXFPOAVTA-UHFFFAOYSA-N 0 0 398.264 3.863 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000248405164 864768915 /nfs/dbraw/zinc/76/89/15/864768915.db2.gz ANICNUJLBAQSEA-HZSPNIEDSA-N 0 0 385.434 3.692 10 0 GHAERN COc1ccccc1/C=C/C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000010027579 865097547 /nfs/dbraw/zinc/09/75/47/865097547.db2.gz GRYVZBBJVAGUAZ-VAWYXSNFSA-N 0 0 379.460 3.521 10 0 GHAERN Cc1nc(-c2ccc(N3CCC(COc4ccccn4)CC3)nc2)[nH]c(=O)c1C ZINC000301594299 865444024 /nfs/dbraw/zinc/44/40/24/865444024.db2.gz ZJBOLBSNYYBZFN-UHFFFAOYSA-N 0 0 391.475 3.551 10 0 GHAERN COc1cc(OC)cc(C2(O)CCN(c3cc(Cl)nc(C4CC4)n3)CC2)c1 ZINC000301920484 865607849 /nfs/dbraw/zinc/60/78/49/865607849.db2.gz FNAMWXJFBGNLNK-UHFFFAOYSA-N 0 0 389.883 3.513 10 0 GHAERN Cc1nc2sc3c(c2c(N2CCC([C@@H](O)c4ncc[nH]4)CC2)n1)CCCC3 ZINC000302739647 865901242 /nfs/dbraw/zinc/90/12/42/865901242.db2.gz CFIXQGKJPAJZEM-QGZVFWFLSA-N 0 0 383.521 3.552 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)n1 ZINC000113201464 866751126 /nfs/dbraw/zinc/75/11/26/866751126.db2.gz IKXRRCJEVJRFDE-CVEARBPZSA-N 0 0 391.581 3.696 10 0 GHAERN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114741450 866770214 /nfs/dbraw/zinc/77/02/14/866770214.db2.gz KHJKILFAVMZUMG-NSHDSACASA-N 0 0 376.425 3.730 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151243153 867088329 /nfs/dbraw/zinc/08/83/29/867088329.db2.gz PJXXSRXMGVUGNS-LIRRHRJNSA-N 0 0 394.302 3.946 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000170818406 882057642 /nfs/dbraw/zinc/05/76/42/882057642.db2.gz JQORTPYJSSKHIG-RTBURBONSA-N 0 0 377.492 3.640 10 0 GHAERN CC(C)[C@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)c1nc(C2CC2)no1 ZINC000170811710 882057767 /nfs/dbraw/zinc/05/77/67/882057767.db2.gz UWDXAJZDLICHHQ-QAPCUYQASA-N 0 0 383.496 3.567 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000245604056 867657385 /nfs/dbraw/zinc/65/73/85/867657385.db2.gz QDQMCCRFJIEBHZ-IFRJNBKVSA-N 0 0 379.859 3.821 10 0 GHAERN O=C(Cc1csc(-c2ccccn2)n1)N1CCC(Cc2ccccn2)CC1 ZINC000171616519 882116618 /nfs/dbraw/zinc/11/66/18/882116618.db2.gz BKWVUMOPHNASFZ-UHFFFAOYSA-N 0 0 378.501 3.624 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615326 882116908 /nfs/dbraw/zinc/11/69/08/882116908.db2.gz RBKAZVSGIKPDBL-LJQANCHMSA-N 0 0 397.544 3.619 10 0 GHAERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000171643496 882119575 /nfs/dbraw/zinc/11/95/75/882119575.db2.gz FARBJFKHMMNACX-CYBMUJFWSA-N 0 0 378.881 3.516 10 0 GHAERN CC(C)CCOC1CCN(C(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000171444095 882126904 /nfs/dbraw/zinc/12/69/04/882126904.db2.gz TVZJSKYKZNTWBP-HXUWFJFHSA-N 0 0 387.524 3.737 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000171554412 882141535 /nfs/dbraw/zinc/14/15/35/882141535.db2.gz IDWCZNLLZNVXAI-OAHLLOKOSA-N 0 0 395.463 3.548 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC(Cc2ccccn2)CC1 ZINC000171613067 882146001 /nfs/dbraw/zinc/14/60/01/882146001.db2.gz DBTINUKPGUWUHR-UHFFFAOYSA-N 0 0 390.487 3.936 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007598002 868679608 /nfs/dbraw/zinc/67/96/08/868679608.db2.gz PDNNBXVGGKBFOZ-NGOBRMJYSA-N 0 0 396.487 3.561 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCc3c(Cl)cccc3C2)CC1 ZINC000172417320 882275418 /nfs/dbraw/zinc/27/54/18/882275418.db2.gz STZKCOXFMMGTCS-UHFFFAOYSA-N 0 0 388.920 3.839 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000172461651 882277509 /nfs/dbraw/zinc/27/75/09/882277509.db2.gz SXRHJQGNVLZNGS-CQSZACIVSA-N 0 0 388.508 3.795 10 0 GHAERN CN(C)c1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c(C(F)(F)F)c1 ZINC000172460554 882277799 /nfs/dbraw/zinc/27/77/99/882277799.db2.gz ZZVLWUFZVPGIRA-DLBZAZTESA-N 0 0 379.382 3.551 10 0 GHAERN C[C@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000172468342 882278837 /nfs/dbraw/zinc/27/88/37/882278837.db2.gz VYNUEHPCBLGIGJ-YOEHRIQHSA-N 0 0 390.443 3.828 10 0 GHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@@H](CCO)c3ccccc3)nc2c1 ZINC000172638385 882281137 /nfs/dbraw/zinc/28/11/37/882281137.db2.gz BMRRQDPAKSGOCL-WIYYLYMNSA-N 0 0 392.503 3.884 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000172635333 882281443 /nfs/dbraw/zinc/28/14/43/882281443.db2.gz OXILIBOURYPTGH-IBGZPJMESA-N 0 0 392.503 3.618 10 0 GHAERN CO[C@@H]1CC[C@H]2OCCN(Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097221 882281616 /nfs/dbraw/zinc/28/16/16/882281616.db2.gz LKHKBAKTTJZNAY-BPQIPLTHSA-N 0 0 375.900 3.509 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc2c(c1)CCCC2 ZINC000172695816 882285395 /nfs/dbraw/zinc/28/53/95/882285395.db2.gz JOFYIMQKNPLKCE-KRWDZBQOSA-N 0 0 391.515 3.690 10 0 GHAERN C[C@@H](NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000172709418 882300593 /nfs/dbraw/zinc/30/05/93/882300593.db2.gz NIZHPNLQRBVNRW-VXGBXAGGSA-N 0 0 395.521 3.907 10 0 GHAERN C[C@@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000172709421 882300909 /nfs/dbraw/zinc/30/09/09/882300909.db2.gz NIZHPNLQRBVNRW-NWDGAFQWSA-N 0 0 395.521 3.907 10 0 GHAERN CC(C)N(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1F ZINC000172822178 882311028 /nfs/dbraw/zinc/31/10/28/882311028.db2.gz JOTZBTGVRNGWGF-UHFFFAOYSA-N 0 0 398.482 3.556 10 0 GHAERN CC(C)n1ncc2ccc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)cc21 ZINC000172912471 882323392 /nfs/dbraw/zinc/32/33/92/882323392.db2.gz WHIHRLAAYGDDLE-UHFFFAOYSA-N 0 0 391.475 3.503 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173368733 882357864 /nfs/dbraw/zinc/35/78/64/882357864.db2.gz ZRDRENAQWBCQNT-UHFFFAOYSA-N 0 0 382.508 3.599 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)n1 ZINC000173431545 882359902 /nfs/dbraw/zinc/35/99/02/882359902.db2.gz SLDNBHCVXGRICM-IAGOWNOFSA-N 0 0 384.501 3.732 10 0 GHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173729265 882369551 /nfs/dbraw/zinc/36/95/51/882369551.db2.gz OEHXVDCPSDCPPA-MAUKXSAKSA-N 0 0 383.496 3.530 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)nc1 ZINC000173734754 882370477 /nfs/dbraw/zinc/37/04/77/882370477.db2.gz FRRDSUHLVFYIDJ-UHFFFAOYSA-N 0 0 397.548 3.860 10 0 GHAERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000114741734 870126807 /nfs/dbraw/zinc/12/68/07/870126807.db2.gz PLCXUBPRORVLSU-LLVKDONJSA-N 0 0 376.425 3.730 10 0 GHAERN COc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173512001 882375143 /nfs/dbraw/zinc/37/51/43/882375143.db2.gz HZPVCOFUHVKPKC-HUUCEWRRSA-N 0 0 375.494 3.508 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)cc1)N1CC[C@H](Nc2ccccc2)C1 ZINC000173606492 882385606 /nfs/dbraw/zinc/38/56/06/882385606.db2.gz PNIQOCIXBMPPAH-IBGZPJMESA-N 0 0 382.533 3.958 10 0 GHAERN O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915959 870242465 /nfs/dbraw/zinc/24/24/65/870242465.db2.gz LBLYRTVSRUVTNS-KBPBESRZSA-N 0 0 385.411 3.543 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cs1 ZINC000187061633 870247548 /nfs/dbraw/zinc/24/75/48/870247548.db2.gz ZWKOBLJZPYLBQI-DYVFJYSZSA-N 0 0 389.908 3.822 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(-n2cccn2)cc1 ZINC000173657086 882389263 /nfs/dbraw/zinc/38/92/63/882389263.db2.gz OTZAZBVTVYYHRE-WBVHZDCISA-N 0 0 381.505 3.979 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)CCOc3ccc(C)c(C)c3)C2)c1 ZINC000102383416 882416746 /nfs/dbraw/zinc/41/67/46/882416746.db2.gz OMDHLSWRRKECMO-IBGZPJMESA-N 0 0 382.504 3.724 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000056762171 870584901 /nfs/dbraw/zinc/58/49/01/870584901.db2.gz UUWWDIVUVYQGKL-FUHWJXTLSA-N 0 0 399.457 3.804 10 0 GHAERN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174073111 882422558 /nfs/dbraw/zinc/42/25/58/882422558.db2.gz SBSXQNQWFVIGRW-IBGZPJMESA-N 0 0 389.515 3.656 10 0 GHAERN O=C(CCc1nc(-c2ccoc2)no1)N1CCC(Nc2ccccc2F)CC1 ZINC000174089176 882425414 /nfs/dbraw/zinc/42/54/14/882425414.db2.gz RGWMXTZLZUJQLT-UHFFFAOYSA-N 0 0 384.411 3.504 10 0 GHAERN COCCCOc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114811544 870636769 /nfs/dbraw/zinc/63/67/69/870636769.db2.gz NFGJALUVUUAOOC-HNNXBMFYSA-N 0 0 375.494 3.970 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)C2)c1 ZINC000109684823 870647791 /nfs/dbraw/zinc/64/77/91/870647791.db2.gz UDVSVJVGSGSLNQ-SFHVURJKSA-N 0 0 389.503 3.652 10 0 GHAERN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000174193954 882433788 /nfs/dbraw/zinc/43/37/88/882433788.db2.gz WAJXQNKKBCOVGM-LBPRGKRZSA-N 0 0 398.454 3.927 10 0 GHAERN CCOc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC(n2cncn2)CC1 ZINC000174412087 882467925 /nfs/dbraw/zinc/46/79/25/882467925.db2.gz KSRRRGAEMAAFNN-IBGZPJMESA-N 0 0 385.512 3.811 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000103045105 871139074 /nfs/dbraw/zinc/13/90/74/871139074.db2.gz GOAJNUVRGICPHF-QRWLVFNGSA-N 0 0 392.455 3.736 10 0 GHAERN C[C@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000174552929 882481165 /nfs/dbraw/zinc/48/11/65/882481165.db2.gz PINTWHBNBKHKKW-PKSQDBQZSA-N 0 0 393.336 3.709 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3N(C)C(=O)C3CC3)c21 ZINC000103128336 871353488 /nfs/dbraw/zinc/35/34/88/871353488.db2.gz XUMRHMDLETVPEP-UHFFFAOYSA-N 0 0 375.472 3.822 10 0 GHAERN CCNC(=O)c1ccc(C)c(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174990896 882512735 /nfs/dbraw/zinc/51/27/35/882512735.db2.gz GNLKHVHTEJSNCG-UHFFFAOYSA-N 0 0 398.482 3.992 10 0 GHAERN O=C(C[C@H](c1ccccc1)C(F)(F)F)OCCn1c(=O)oc2ccccc21 ZINC000103221386 871499113 /nfs/dbraw/zinc/49/91/13/871499113.db2.gz TVYANUFIXZJACQ-CQSZACIVSA-N 0 0 379.334 3.874 10 0 GHAERN Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1ncncc1Cl ZINC000175155410 882529315 /nfs/dbraw/zinc/52/93/15/882529315.db2.gz YDCOLKIEKKHULK-CHWSQXEVSA-N 0 0 386.883 3.809 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3nc(-c4ccco4)oc3C)C2)c1 ZINC000175398526 882550533 /nfs/dbraw/zinc/55/05/33/882550533.db2.gz VSOVHTLHKUSJGY-OAHLLOKOSA-N 0 0 396.443 3.819 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000175237640 882561443 /nfs/dbraw/zinc/56/14/43/882561443.db2.gz KLJIDWHFIFUHJP-AZUAARDMSA-N 0 0 384.545 3.976 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000103444465 872000321 /nfs/dbraw/zinc/00/03/21/872000321.db2.gz IUUZVNNUIAGXAK-UHFFFAOYSA-N 0 0 393.484 3.523 10 0 GHAERN Cc1ccccc1C(C)(C)CNC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000101521900 872063804 /nfs/dbraw/zinc/06/38/04/872063804.db2.gz NETPTIDREKZYCR-ZHACJKMWSA-N 0 0 392.503 3.721 10 0 GHAERN Cc1ccccc1SCC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101532776 872068884 /nfs/dbraw/zinc/06/88/84/872068884.db2.gz UJBPVHIJTLXCFV-UHFFFAOYSA-N 0 0 384.501 3.820 10 0 GHAERN CC(C)(C)[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000175722690 882577816 /nfs/dbraw/zinc/57/78/16/882577816.db2.gz SIBQQMOCVDRLPE-GOSISDBHSA-N 0 0 385.487 3.671 10 0 GHAERN O=C(/C=C/c1ccccc1Br)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175482174 882586160 /nfs/dbraw/zinc/58/61/60/882586160.db2.gz XPOHDVLNTPCUET-IWAYRVGRSA-N 0 0 394.309 3.649 10 0 GHAERN CCOc1ccccc1CNC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000101988263 872460431 /nfs/dbraw/zinc/46/04/31/872460431.db2.gz WBYPMMZSIHJHDE-UHFFFAOYSA-N 0 0 381.476 3.602 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@@H]1CCCOc2ccccc21 ZINC000101990876 872460505 /nfs/dbraw/zinc/46/05/05/872460505.db2.gz WKNUJTJWMNXLDW-HXUWFJFHSA-N 0 0 393.487 3.917 10 0 GHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000175738435 882619675 /nfs/dbraw/zinc/61/96/75/882619675.db2.gz MVZXWKZHACIYFX-CQSZACIVSA-N 0 0 381.900 3.577 10 0 GHAERN COCc1ccc(C(=O)Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)o1 ZINC000102144480 872642078 /nfs/dbraw/zinc/64/20/78/872642078.db2.gz JSJCGLOFPPISPY-UHFFFAOYSA-N 0 0 391.423 3.844 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1F ZINC000175854201 882640698 /nfs/dbraw/zinc/64/06/98/882640698.db2.gz NCFBDWJOMLNLRD-HHHXNRCGSA-N 0 0 393.459 3.811 10 0 GHAERN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)c1ncncc1Cl ZINC000176011873 882658068 /nfs/dbraw/zinc/65/80/68/882658068.db2.gz GXQJXRBPRHKAMY-CYBMUJFWSA-N 0 0 396.672 3.878 10 0 GHAERN Cn1c(=O)oc2ccc(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)cc21 ZINC000102297931 872891521 /nfs/dbraw/zinc/89/15/21/872891521.db2.gz PLQGOGLAVKDLAG-VQHVLOKHSA-N 0 0 379.803 3.985 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243863 873366610 /nfs/dbraw/zinc/36/66/10/873366610.db2.gz FMQPJXYDKYVIRF-AVRDEDQJSA-N 0 0 393.531 3.634 10 0 GHAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCc2cccc(F)c2)cc1C ZINC000102736750 873521804 /nfs/dbraw/zinc/52/18/04/873521804.db2.gz MCCMDENWJJDLEC-IBGZPJMESA-N 0 0 388.464 3.573 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)n(C)n1 ZINC000102744259 873524949 /nfs/dbraw/zinc/52/49/49/873524949.db2.gz IGLSHRLBUQATRS-STQMWFEESA-N 0 0 396.413 3.613 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000116569804 873567463 /nfs/dbraw/zinc/56/74/63/873567463.db2.gz IMFUNHJWLBXHPY-VGSWGCGISA-N 0 0 396.510 3.805 10 0 GHAERN Cn1c(=O)oc2cc(NC(=O)/C=C/c3ccc4ccc(Cl)cc4n3)ccc21 ZINC000102861110 873726747 /nfs/dbraw/zinc/72/67/47/873726747.db2.gz OILYPWWLSFROHV-VQHVLOKHSA-N 0 0 379.803 3.985 10 0 GHAERN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000177383425 882790775 /nfs/dbraw/zinc/79/07/75/882790775.db2.gz JNOOTUQECVWGII-XZYYAGCZSA-N 0 0 399.560 3.750 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@@H]2CCN(C)c3ccccc32)no1 ZINC000177436104 882797573 /nfs/dbraw/zinc/79/75/73/882797573.db2.gz SOPBAUVDTASHAK-MAUKXSAKSA-N 0 0 383.496 3.663 10 0 GHAERN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118043775 874319237 /nfs/dbraw/zinc/31/92/37/874319237.db2.gz PIWIXYVTUABKHI-UHFFFAOYSA-N 0 0 390.530 3.922 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(CCC(F)(F)F)CC3CC3)CC2)n1 ZINC000177294953 882816511 /nfs/dbraw/zinc/81/65/11/882816511.db2.gz JYFYUCJHEIBPJM-UHFFFAOYSA-N 0 0 384.446 3.733 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000177587988 882834161 /nfs/dbraw/zinc/83/41/61/882834161.db2.gz CGSGBHOIDYXPIP-UHFFFAOYSA-N 0 0 399.410 3.615 10 0 GHAERN O=C(CN1CCO[C@@H](c2ccco2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000177692502 882842200 /nfs/dbraw/zinc/84/22/00/882842200.db2.gz BFZQVABDPOSLSB-CQSZACIVSA-N 0 0 388.773 3.964 10 0 GHAERN Cn1cc(Br)cc(NC(=O)N2CC=C(c3cccs3)CC2)c1=O ZINC000177980490 882852588 /nfs/dbraw/zinc/85/25/88/882852588.db2.gz HICFTAAWXUFKKC-UHFFFAOYSA-N 0 0 394.294 3.531 10 0 GHAERN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178306027 882883710 /nfs/dbraw/zinc/88/37/10/882883710.db2.gz MFXSZSIWKDJLHV-KXBFYZLASA-N 0 0 386.810 3.831 10 0 GHAERN O=C(O[C@@H](c1ccccn1)C(F)(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000178801949 882921887 /nfs/dbraw/zinc/92/18/87/882921887.db2.gz HROUWHHQGCKDBF-HNNXBMFYSA-N 0 0 398.406 3.842 10 0 GHAERN CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000105597636 875341951 /nfs/dbraw/zinc/34/19/51/875341951.db2.gz LIZRPVVLGZVWAD-KBOKABMXSA-N 0 0 376.460 3.774 10 0 GHAERN COc1cc(C)c([C@H](C)NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000179144171 882974825 /nfs/dbraw/zinc/97/48/25/882974825.db2.gz KKAFBYQBMKBTGY-MGPUTAFESA-N 0 0 388.464 3.758 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000179775729 883026564 /nfs/dbraw/zinc/02/65/64/883026564.db2.gz XTFWIODMUXIASP-MJGOQNOKSA-N 0 0 395.434 3.705 10 0 GHAERN Cc1ccc([C@@](O)(CC(=O)N2CCC[C@H](c3nccs3)C2)C(F)(F)F)o1 ZINC000180025454 883045785 /nfs/dbraw/zinc/04/57/85/883045785.db2.gz PRAOLOUINFCSHW-LRDDRELGSA-N 0 0 388.411 3.591 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ncccc3C(F)(F)F)C2)c1 ZINC000180221661 883067138 /nfs/dbraw/zinc/06/71/38/883067138.db2.gz JLHMGUZFDIRHBW-LBPRGKRZSA-N 0 0 380.366 3.747 10 0 GHAERN Cc1n[nH]c2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccc12 ZINC000180339897 883075730 /nfs/dbraw/zinc/07/57/30/883075730.db2.gz POXWMWAWSRBEAY-UHFFFAOYSA-N 0 0 380.423 3.501 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cnc(-c4ccccc4)nc3C)CC2)n1 ZINC000121353540 876952174 /nfs/dbraw/zinc/95/21/74/876952174.db2.gz OJEFOTXOVVVLTA-UHFFFAOYSA-N 0 0 387.487 3.554 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1csc(-c2ccccc2Cl)n1 ZINC000180872225 883105351 /nfs/dbraw/zinc/10/53/51/883105351.db2.gz GQISOXMZFNQAFJ-UHFFFAOYSA-N 0 0 384.848 3.766 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000023533997 877511196 /nfs/dbraw/zinc/51/11/96/877511196.db2.gz ZMZBHACPGLAMMF-UHFFFAOYSA-N 0 0 380.444 3.930 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000121878716 877920098 /nfs/dbraw/zinc/92/00/98/877920098.db2.gz XXKVLTXHHQOOIO-UHFFFAOYSA-N 0 0 383.883 3.559 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Cl)s1 ZINC000130355367 878307155 /nfs/dbraw/zinc/30/71/55/878307155.db2.gz OJIDHYCTBKZEDB-JSGCOSHPSA-N 0 0 383.945 3.943 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122464063 878924967 /nfs/dbraw/zinc/92/49/67/878924967.db2.gz BHKFXQSRNRZRDU-IAGOWNOFSA-N 0 0 394.441 3.558 10 0 GHAERN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1cscn1 ZINC000123272712 880175733 /nfs/dbraw/zinc/17/57/33/880175733.db2.gz JMFKZZOHNOWRHT-XHDPSFHLSA-N 0 0 396.310 3.577 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc43)CC2)nc1 ZINC000181201225 883126327 /nfs/dbraw/zinc/12/63/27/883126327.db2.gz GNVYLTKRWHTXMG-UHFFFAOYSA-N 0 0 394.450 3.773 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCc3nc4c(cccc4C)[nH]3)CC2)nc1 ZINC000181189368 883154359 /nfs/dbraw/zinc/15/43/59/883154359.db2.gz QXEPDIITMPGYNY-UHFFFAOYSA-N 0 0 378.476 3.577 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)C3(c4ccc(F)cc4)CCOCC3)CC2)nc1 ZINC000181570710 883163557 /nfs/dbraw/zinc/16/35/57/883163557.db2.gz VMJGWCHOVLLYAH-UHFFFAOYSA-N 0 0 398.478 3.647 10 0 GHAERN Fc1ccccc1Cc1nnc(N2CCn3c(nnc3-c3ccccc3)C2)s1 ZINC000181926923 883193846 /nfs/dbraw/zinc/19/38/46/883193846.db2.gz GFYXIIPUZJQWTA-UHFFFAOYSA-N 0 0 392.463 3.547 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)cnc1Br ZINC000182453590 883204025 /nfs/dbraw/zinc/20/40/25/883204025.db2.gz OHKFZNYWMAJJPJ-GFCCVEGCSA-N 0 0 393.289 3.524 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)CCC(=O)NC1=O ZINC000182737352 883234044 /nfs/dbraw/zinc/23/40/44/883234044.db2.gz WDESWXLXXFUKGT-WNSKOXEYSA-N 0 0 396.487 3.961 10 0 GHAERN O=C(Nc1cccc(C(=O)c2ccccc2)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183080421 883261287 /nfs/dbraw/zinc/26/12/87/883261287.db2.gz HAXJGCGLQQOVGK-SFHVURJKSA-N 0 0 375.432 3.795 10 0 GHAERN Cc1ccc(-c2ccc(C(=O)N3CCC[C@@H]([C@H](O)c4nccn4C)C3)s2)o1 ZINC000183293577 883277580 /nfs/dbraw/zinc/27/75/80/883277580.db2.gz LZDADVFCKLDLAY-KDOFPFPSSA-N 0 0 385.489 3.636 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184010591 883296726 /nfs/dbraw/zinc/29/67/26/883296726.db2.gz UFZJASFCVGKJPD-NRFANRHFSA-N 0 0 383.467 3.769 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2C2CCCC2)c2ccc(F)cc2C1 ZINC000184011129 883297961 /nfs/dbraw/zinc/29/79/61/883297961.db2.gz GPNQFPRVLOWGMJ-NHCUHLMSSA-N 0 0 387.499 3.983 10 0 GHAERN CCN(C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)[C@H](C)c1cccnc1 ZINC000184014305 883298026 /nfs/dbraw/zinc/29/80/26/883298026.db2.gz ZDFRZCBYRLWXBC-VFNWGFHPSA-N 0 0 398.482 3.807 10 0 GHAERN CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184031157 883301556 /nfs/dbraw/zinc/30/15/56/883301556.db2.gz NMKXOYAUSBCHJA-NRFANRHFSA-N 0 0 383.467 3.851 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184038473 883303017 /nfs/dbraw/zinc/30/30/17/883303017.db2.gz GEUXPYLFYVIXPP-VFNWGFHPSA-N 0 0 383.467 3.988 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184038646 883303328 /nfs/dbraw/zinc/30/33/28/883303328.db2.gz MLSWCMUYOSAJAK-YADHBBJMSA-N 0 0 395.478 3.996 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183900704 883308923 /nfs/dbraw/zinc/30/89/23/883308923.db2.gz GKSYSLWUYWKBEX-VGOFRKELSA-N 0 0 391.515 3.764 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cnc(C(C)(C)C)s2)c2ccc(F)cc2C1 ZINC000184111340 883319874 /nfs/dbraw/zinc/31/98/74/883319874.db2.gz DXLDIDBAVBKDIU-INIZCTEOSA-N 0 0 389.496 3.803 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2nc(Cl)ccc2Cl)c2ccc(F)cc2C1 ZINC000184163051 883325517 /nfs/dbraw/zinc/32/55/17/883325517.db2.gz MLZPDZDIAYFTJC-HNNXBMFYSA-N 0 0 396.249 3.751 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2nc(Cl)ccc2Cl)c2ccc(F)cc2C1 ZINC000184163068 883326205 /nfs/dbraw/zinc/32/62/05/883326205.db2.gz MLZPDZDIAYFTJC-OAHLLOKOSA-N 0 0 396.249 3.751 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000184054707 883330956 /nfs/dbraw/zinc/33/09/56/883330956.db2.gz ORUOAYNBNJSLLS-DJJJIMSYSA-N 0 0 380.872 3.594 10 0 GHAERN O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184060904 883332251 /nfs/dbraw/zinc/33/22/51/883332251.db2.gz COPVRSUZHSUDQW-UHFFFAOYSA-N 0 0 394.397 3.767 10 0 GHAERN Cc1ccc(NC(=O)NCc2ncc(-c3ccccc3)cn2)c(Br)n1 ZINC000184431321 883334897 /nfs/dbraw/zinc/33/48/97/883334897.db2.gz BRYXLQGZUNESOP-UHFFFAOYSA-N 0 0 398.264 3.931 10 0 GHAERN O=C(c1ccccc1Cl)N1CCC(Nc2cccc3c2OCC[C@@H]3O)CC1 ZINC000184571461 883356593 /nfs/dbraw/zinc/35/65/93/883356593.db2.gz ILXKBISZKBNDRC-IBGZPJMESA-N 0 0 386.879 3.873 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184625295 883367377 /nfs/dbraw/zinc/36/73/77/883367377.db2.gz KGYAKAPCSIXUPR-SFHVURJKSA-N 0 0 396.495 3.545 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCCC[C@H]2C(C)C)c2ccc(F)cc2C1 ZINC000185245715 883429718 /nfs/dbraw/zinc/42/97/18/883429718.db2.gz GUEKJNRSGMUMMV-UXHICEINSA-N 0 0 375.488 3.839 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000185419271 883456557 /nfs/dbraw/zinc/45/65/57/883456557.db2.gz NAFRULYQAQPHRI-ZDUSSCGKSA-N 0 0 399.397 3.640 10 0 GHAERN CCCOc1cccc(CC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185514929 883548831 /nfs/dbraw/zinc/54/88/31/883548831.db2.gz IMCNLRQLCDRKES-JOCHJYFZSA-N 0 0 398.478 3.767 10 0 GHAERN COc1ccc(Cl)cc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185533423 883551262 /nfs/dbraw/zinc/55/12/62/883551262.db2.gz UFSLZGXLPWDUGC-GOSISDBHSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)/C=C(\C)c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185544464 883554039 /nfs/dbraw/zinc/55/40/39/883554039.db2.gz IKCFQKDBUYIJEE-OQHXPNFOSA-N 0 0 384.426 3.978 10 0 GHAERN CCCOc1cccc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185554456 883555271 /nfs/dbraw/zinc/55/52/71/883555271.db2.gz LNKWKZVLNMREPO-NRFANRHFSA-N 0 0 384.451 3.838 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(-n2ccnc2)c1 ZINC000185778066 883583874 /nfs/dbraw/zinc/58/38/74/883583874.db2.gz YECYWIGUCHFFFS-HXOBKFHXSA-N 0 0 388.471 3.774 10 0 GHAERN Cc1csc(-c2cccc(C(=O)N3CCCN(c4ccccn4)CC3)c2)n1 ZINC000186418937 883642826 /nfs/dbraw/zinc/64/28/26/883642826.db2.gz YQJUWXBBPNYIEW-UHFFFAOYSA-N 0 0 378.501 3.866 10 0 GHAERN CC(C)COC[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccco1 ZINC000186591805 883666804 /nfs/dbraw/zinc/66/68/04/883666804.db2.gz PQQMESMOOFAEDJ-KRWDZBQOSA-N 0 0 386.452 3.792 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccc(F)cc2)O1 ZINC000186618075 883675508 /nfs/dbraw/zinc/67/55/08/883675508.db2.gz FZUIXESQLALMMU-BFUOFWGJSA-N 0 0 398.438 3.797 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCCOc4cc(F)ccc43)ccc2NC1=O ZINC000186680975 883686017 /nfs/dbraw/zinc/68/60/17/883686017.db2.gz CIVOXYZCWWXNHU-KRWDZBQOSA-N 0 0 384.411 3.838 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)n1 ZINC000186781961 883702138 /nfs/dbraw/zinc/70/21/38/883702138.db2.gz FYNGUBMLHRKUOS-UHFFFAOYSA-N 0 0 387.242 3.601 10 0 GHAERN O=C(NCc1cccc(OCC(F)F)c1)N1CCC(Nc2nccs2)CC1 ZINC000186793989 883703631 /nfs/dbraw/zinc/70/36/31/883703631.db2.gz RVUBUMMLEMUNAD-UHFFFAOYSA-N 0 0 396.463 3.573 10 0 GHAERN COCc1ccc([C@H]2CCCN2C(=O)Nc2c(C)csc2C(=O)OC)o1 ZINC000186812408 883707305 /nfs/dbraw/zinc/70/73/05/883707305.db2.gz XZSJFZKGUDTMFA-CYBMUJFWSA-N 0 0 378.450 3.952 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000186827448 883710010 /nfs/dbraw/zinc/71/00/10/883710010.db2.gz PHMDFRSZONQAGX-UHFFFAOYSA-N 0 0 386.473 3.970 10 0 GHAERN CC(C)Oc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000187261434 883773380 /nfs/dbraw/zinc/77/33/80/883773380.db2.gz IXXVEDBNIQFWAB-UHFFFAOYSA-N 0 0 389.887 3.708 10 0 GHAERN Cc1ccc(SC[C@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000187600324 883802282 /nfs/dbraw/zinc/80/22/82/883802282.db2.gz OPWGHIRFVRDMIB-KRWDZBQOSA-N 0 0 397.544 3.539 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccnn2[C@@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000187716637 883816105 /nfs/dbraw/zinc/81/61/05/883816105.db2.gz FOPXSSMAROCZAD-ORAYPTAESA-N 0 0 399.470 3.608 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000187998948 883824718 /nfs/dbraw/zinc/82/47/18/883824718.db2.gz NPNXXWGGMWFARL-GOSISDBHSA-N 0 0 388.427 3.599 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000189064134 883900883 /nfs/dbraw/zinc/90/08/83/883900883.db2.gz NLVXGFWBEZEKQS-LLVKDONJSA-N 0 0 398.207 3.808 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000189071234 883902395 /nfs/dbraw/zinc/90/23/95/883902395.db2.gz MMQBHCOKYANEDQ-PKOBYXMFSA-N 0 0 386.496 3.904 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Cc3ccc(OC(C)C)cc3)CC2)cs1 ZINC000189222963 883914115 /nfs/dbraw/zinc/91/41/15/883914115.db2.gz UAZOSJUTVUIFDO-UHFFFAOYSA-N 0 0 387.549 3.516 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000189363524 883940308 /nfs/dbraw/zinc/94/03/08/883940308.db2.gz YRACTXRNNFKXGQ-ZWKOTPCHSA-N 0 0 389.540 3.946 10 0 GHAERN COCCc1ccccc1NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000189488998 883947601 /nfs/dbraw/zinc/94/76/01/883947601.db2.gz OUJVERHDYFLPED-QGZVFWFLSA-N 0 0 384.476 3.914 10 0 GHAERN O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189644882 883975733 /nfs/dbraw/zinc/97/57/33/883975733.db2.gz DXUNFYOSFMZSHC-ZDUSSCGKSA-N 0 0 384.382 3.933 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000189709897 883982099 /nfs/dbraw/zinc/98/20/99/883982099.db2.gz VZPUXXUPVPHNCH-SFHVURJKSA-N 0 0 380.448 3.560 10 0 GHAERN Cn1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)c(-c2cccs2)n1 ZINC000189801062 884012228 /nfs/dbraw/zinc/01/22/28/884012228.db2.gz OZMFXNOXIPVFCT-UHFFFAOYSA-N 0 0 379.485 3.857 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccnn2-c2cc(C)ccn2)C12CCCC2 ZINC000189818720 884013186 /nfs/dbraw/zinc/01/31/86/884013186.db2.gz AQPKTATYQMSYHT-SJORKVTESA-N 0 0 383.496 3.777 10 0 GHAERN CCn1cc(Br)cc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189816556 884013385 /nfs/dbraw/zinc/01/33/85/884013385.db2.gz NQZRWHAKBFSNBC-UHFFFAOYSA-N 0 0 389.293 3.979 10 0 GHAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189828736 884014633 /nfs/dbraw/zinc/01/46/33/884014633.db2.gz BXKMGJSTQGZFPK-QGZVFWFLSA-N 0 0 379.456 3.752 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000190011358 884042627 /nfs/dbraw/zinc/04/26/27/884042627.db2.gz AUXVWAYGUKXUHM-KRWDZBQOSA-N 0 0 393.534 3.581 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2c(C)c(C)oc2-c2ccccc2)C1 ZINC000190015468 884042667 /nfs/dbraw/zinc/04/26/67/884042667.db2.gz ZPIHHMONWMWPSO-SJORKVTESA-N 0 0 381.432 3.857 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000190047817 884044760 /nfs/dbraw/zinc/04/47/60/884044760.db2.gz XWMKEWGDUCNNBL-WMZOPIPTSA-N 0 0 399.472 3.621 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000190133196 884048451 /nfs/dbraw/zinc/04/84/51/884048451.db2.gz ZRSLJRAIXLEQDT-GJZGRUSLSA-N 0 0 398.385 3.867 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000190386496 884074971 /nfs/dbraw/zinc/07/49/71/884074971.db2.gz JDHXGPFNSFYZMU-LIRRHRJNSA-N 0 0 386.448 3.575 10 0 GHAERN O=C(c1cc(F)cc(Br)c1)N1CCC(Nc2nccs2)CC1 ZINC000190415724 884079041 /nfs/dbraw/zinc/07/90/41/884079041.db2.gz MEWVPHYYHVBVSU-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN O=C(c1cccnc1SC(F)(F)F)N1CCC(Nc2nccs2)CC1 ZINC000190424049 884079142 /nfs/dbraw/zinc/07/91/42/884079142.db2.gz AUYHKMLXECNZRN-UHFFFAOYSA-N 0 0 388.440 3.867 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1Br ZINC000190436791 884081898 /nfs/dbraw/zinc/08/18/98/884081898.db2.gz RZKMCPSSKJFLJY-UHFFFAOYSA-N 0 0 380.311 3.931 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)Nc2cccc(OCCC(C)C)c2)CC1 ZINC000064423625 884283718 /nfs/dbraw/zinc/28/37/18/884283718.db2.gz ATQPQEARFQUYHQ-UHFFFAOYSA-N 0 0 399.491 3.899 10 0 GHAERN C[C@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000193257709 884334823 /nfs/dbraw/zinc/33/48/23/884334823.db2.gz QXXYTQKICREUMS-LRDDRELGSA-N 0 0 389.402 3.774 10 0 GHAERN COc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000102826097 884486041 /nfs/dbraw/zinc/48/60/41/884486041.db2.gz VDVXQCNFIIORGB-YCRPNKLZSA-N 0 0 384.451 3.765 10 0 GHAERN O=S(=O)(c1ccccc1)c1ccc(OCc2nc(-c3ccoc3)no2)cc1 ZINC000105573482 884813588 /nfs/dbraw/zinc/81/35/88/884813588.db2.gz UZYGNSLAEIFWBG-UHFFFAOYSA-N 0 0 382.397 3.741 10 0 GHAERN O=C(c1ccc(F)cc1F)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000021532877 885808737 /nfs/dbraw/zinc/80/87/37/885808737.db2.gz QXVANNXBTSDLET-UHFFFAOYSA-N 0 0 385.336 3.731 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921865 885959301 /nfs/dbraw/zinc/95/93/01/885959301.db2.gz YNINRXIFFZDQLW-KDOFPFPSSA-N 0 0 395.438 3.833 10 0 GHAERN O=C(/C=C/SCc1ccco1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000084967485 886023346 /nfs/dbraw/zinc/02/33/46/886023346.db2.gz DIBHTBGHQUKOOJ-OQLLNIDSSA-N 0 0 376.522 3.668 10 0 GHAERN Cc1cc(C(=O)CN2CCC(Cc3nccn3C)CC2)c(C)n1CC(F)(F)F ZINC000106164843 886027297 /nfs/dbraw/zinc/02/72/97/886027297.db2.gz MWBUZCWWOGPVJI-UHFFFAOYSA-N 0 0 396.457 3.538 10 0 GHAERN O=C(CCc1nc2ccccc2s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307217 886258017 /nfs/dbraw/zinc/25/80/17/886258017.db2.gz WLXOWVHSIIYFRR-UHFFFAOYSA-N 0 0 399.541 3.665 10 0 GHAERN Cc1ccc2nc(CSCC(=O)N3CCC[C@@H](c4nccs4)C3)cn2c1 ZINC000114630784 886318311 /nfs/dbraw/zinc/31/83/11/886318311.db2.gz JOQXPJKCXHGGQY-OAHLLOKOSA-N 0 0 386.546 3.739 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000114811951 886328650 /nfs/dbraw/zinc/32/86/50/886328650.db2.gz UENIFDHPNCQBFN-CYBMUJFWSA-N 0 0 379.457 3.719 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000117629188 886388445 /nfs/dbraw/zinc/38/84/45/886388445.db2.gz DZYAUSZCZSBKHL-ZHRRBRCNSA-N 0 0 378.472 3.745 10 0 GHAERN O=C(C[C@@H]1CCOc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000117746113 886392231 /nfs/dbraw/zinc/39/22/31/886392231.db2.gz FDSYFOATOGNVBD-IBGZPJMESA-N 0 0 384.520 3.584 10 0 GHAERN C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000117804993 886394980 /nfs/dbraw/zinc/39/49/80/886394980.db2.gz LLZZSYAPXWUQJA-AEFFLSMTSA-N 0 0 376.460 3.645 10 0 GHAERN O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053640135 886395492 /nfs/dbraw/zinc/39/54/92/886395492.db2.gz QBHRZQKPQZIRCI-UHFFFAOYSA-N 0 0 396.453 3.889 10 0 GHAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)N1CC=C(c2cccs2)CC1 ZINC000117959737 886397115 /nfs/dbraw/zinc/39/71/15/886397115.db2.gz MBFDHNJVKXNLPM-UHFFFAOYSA-N 0 0 395.528 3.869 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000119664576 886472015 /nfs/dbraw/zinc/47/20/15/886472015.db2.gz ZARHFJVNLSFGRG-ZFWWWQNUSA-N 0 0 392.425 3.637 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cccc(C)c3Br)CC2)nc1 ZINC000123544410 886647873 /nfs/dbraw/zinc/64/78/73/886647873.db2.gz WCJFRBIXGRUAAY-UHFFFAOYSA-N 0 0 388.309 3.860 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124210330 886719399 /nfs/dbraw/zinc/71/93/99/886719399.db2.gz HEMHBOWTCDDCCH-ZWKOTPCHSA-N 0 0 383.427 3.794 10 0 GHAERN CCOc1ccc(C(=O)CCC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000124216564 886719486 /nfs/dbraw/zinc/71/94/86/886719486.db2.gz HJXAYUKPMUHNQJ-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN COc1cc(F)c(C(=O)Nc2ccc(-c3n[nH]c(C)n3)c(Cl)c2)cc1OC ZINC000124416346 886746052 /nfs/dbraw/zinc/74/60/52/886746052.db2.gz KLHJCIQECYMXBO-UHFFFAOYSA-N 0 0 390.802 3.842 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)Cc2cccc(N(C)C)c2)c2ccccc2F)no1 ZINC000124483196 886755693 /nfs/dbraw/zinc/75/56/93/886755693.db2.gz QVZWTIXAWYSPGV-LJQANCHMSA-N 0 0 397.454 3.514 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124547940 886764772 /nfs/dbraw/zinc/76/47/72/886764772.db2.gz DNCAUUTWPPFSMQ-HXUWFJFHSA-N 0 0 398.890 3.756 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCC[C@@H]3c3ccc(C)cc3)CC2)n1 ZINC000126794967 887006850 /nfs/dbraw/zinc/00/68/50/887006850.db2.gz GRVAEHLSIKOWTN-HXUWFJFHSA-N 0 0 394.519 3.764 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000104988530 887089338 /nfs/dbraw/zinc/08/93/38/887089338.db2.gz QIHHOAQMBZJSRT-UHFFFAOYSA-N 0 0 396.491 3.704 10 0 GHAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000046335249 887181362 /nfs/dbraw/zinc/18/13/62/887181362.db2.gz ULPRWAJSLOEQDC-RHSMWYFYSA-N 0 0 388.899 3.789 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000046519071 887206071 /nfs/dbraw/zinc/20/60/71/887206071.db2.gz PWZJLJIRPHLZOQ-UHFFFAOYSA-N 0 0 376.453 3.777 10 0 GHAERN CO[C@@H](C)c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000105032818 887295650 /nfs/dbraw/zinc/29/56/50/887295650.db2.gz JINRUHUJYUIABL-UWJYYQICSA-N 0 0 395.503 3.749 10 0 GHAERN CC[C@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000129665350 887335081 /nfs/dbraw/zinc/33/50/81/887335081.db2.gz JZYCESUCKRJNFP-IBGZPJMESA-N 0 0 387.549 3.700 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)s1 ZINC000130622012 887458034 /nfs/dbraw/zinc/45/80/34/887458034.db2.gz KUKHQNMXCHEJIF-RTBURBONSA-N 0 0 382.529 3.889 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1csc(-c2ccco2)n1 ZINC000131732643 887570313 /nfs/dbraw/zinc/57/03/13/887570313.db2.gz ZYNKCZGBPXRSLO-OAHLLOKOSA-N 0 0 385.470 3.522 10 0 GHAERN CCc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000049787083 887588904 /nfs/dbraw/zinc/58/89/04/887588904.db2.gz SKXUENPRGPYTSF-APWZRJJASA-N 0 0 377.492 3.942 10 0 GHAERN C[C@H](C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)c1ccc2ccccc2c1 ZINC000134289759 887848513 /nfs/dbraw/zinc/84/85/13/887848513.db2.gz JMMGDGVQZDWKLN-DQLDELGASA-N 0 0 377.488 3.649 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000134298805 887850459 /nfs/dbraw/zinc/85/04/59/887850459.db2.gz CIWWHRGHFHTTAI-SFTDATJTSA-N 0 0 375.472 3.673 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)oc2c1c(C)ccc2C ZINC000134356160 887862742 /nfs/dbraw/zinc/86/27/42/887862742.db2.gz ZDQJMHQLZNRLTN-FUHWJXTLSA-N 0 0 381.476 3.677 10 0 GHAERN Cc1cc([C@H]2CN(C(=O)c3csc(-c4ccccn4)n3)CCO2)ccc1F ZINC000134803935 887915024 /nfs/dbraw/zinc/91/50/24/887915024.db2.gz HJOGUXGMXKQIDR-GOSISDBHSA-N 0 0 383.448 3.866 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(-c3ccco3)n2C)cc1 ZINC000053271742 887944616 /nfs/dbraw/zinc/94/46/16/887944616.db2.gz QYIJYGDGCUQTBG-INIZCTEOSA-N 0 0 398.488 3.540 10 0 GHAERN O=C(c1ccncc1I)N1CCCC[C@H]1c1nccs1 ZINC000135237122 888225093 /nfs/dbraw/zinc/22/50/93/888225093.db2.gz PYEIIFXALMARGO-LBPRGKRZSA-N 0 0 399.257 3.510 10 0 GHAERN O=C(C1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1)N1CCCCCC1 ZINC000055049643 888299245 /nfs/dbraw/zinc/29/92/45/888299245.db2.gz GCFXZMKEISJSQS-FGZHOGPDSA-N 0 0 398.547 3.796 10 0 GHAERN COC(=O)N(C)c1ccc(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)cc1 ZINC000056745079 888375258 /nfs/dbraw/zinc/37/52/58/888375258.db2.gz FWTRJZNZXIZCGF-HNNXBMFYSA-N 0 0 382.464 3.634 10 0 GHAERN COc1ccc(S[C@@H](C)C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057890853 888417129 /nfs/dbraw/zinc/41/71/29/888417129.db2.gz DCJJVPLMLBOOMH-SCLBCKFNSA-N 0 0 382.489 3.508 10 0 GHAERN CN1CCCc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc21 ZINC000064846352 888540956 /nfs/dbraw/zinc/54/09/56/888540956.db2.gz CWADYIKBANVGAG-UHFFFAOYSA-N 0 0 383.517 3.621 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)CC1 ZINC000194729744 888615996 /nfs/dbraw/zinc/61/59/96/888615996.db2.gz HDYHGKZXEXWSHF-YADHBBJMSA-N 0 0 398.547 3.651 10 0 GHAERN O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000303157979 888666926 /nfs/dbraw/zinc/66/69/26/888666926.db2.gz DRODCRKBUKBYIA-RBUKOAKNSA-N 0 0 397.544 3.678 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCC[C@@H](c4nccs4)C3)o2)o1 ZINC000195349957 888683421 /nfs/dbraw/zinc/68/34/21/888683421.db2.gz KJIJCQRPVCBDDO-SNVBAGLBSA-N 0 0 395.282 3.928 10 0 GHAERN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000195508495 888683631 /nfs/dbraw/zinc/68/36/31/888683631.db2.gz BUQHPTVZVJQLIP-GOSISDBHSA-N 0 0 398.551 3.514 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000245543449 888880534 /nfs/dbraw/zinc/88/05/34/888880534.db2.gz KRTCKOCDDVZIFX-PSVSLLHZSA-N 0 0 381.398 3.804 10 0 GHAERN CN1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592697 889033898 /nfs/dbraw/zinc/03/38/98/889033898.db2.gz HIIWDXBXHWBWJL-GOEBONIOSA-N 0 0 385.336 3.554 10 0 GHAERN CCCNC(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000245784516 889719096 /nfs/dbraw/zinc/71/90/96/889719096.db2.gz HXTKDIXBGFOMBQ-DJIMGWMZSA-N 0 0 391.899 3.559 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N[C@H](C)c2ncc(C)s2)C1 ZINC000245917522 890011121 /nfs/dbraw/zinc/01/11/21/890011121.db2.gz FSVYXXOKSNERAD-HYVNUMGLSA-N 0 0 387.505 3.501 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000245920341 890016459 /nfs/dbraw/zinc/01/64/59/890016459.db2.gz GRWGBCFZWKSKOP-ANULTFPQSA-N 0 0 381.520 3.619 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2cc(C)nn2-c2ccccn2)C12CCCC2 ZINC000172689392 890036670 /nfs/dbraw/zinc/03/66/70/890036670.db2.gz KFWMEJGJLURNRN-IRXDYDNUSA-N 0 0 383.496 3.777 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246083664 890324693 /nfs/dbraw/zinc/32/46/93/890324693.db2.gz HWTZEPGQWIKWKQ-KFKAGJAMSA-N 0 0 399.491 3.928 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000246084559 890328043 /nfs/dbraw/zinc/32/80/43/890328043.db2.gz YZWFHIGXOSAUBZ-VQLPCDEWSA-N 0 0 385.552 3.689 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000246137134 890494873 /nfs/dbraw/zinc/49/48/73/890494873.db2.gz RSWGIVZQKPYSFK-FRQCXROJSA-N 0 0 388.826 3.551 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC000246243335 890815539 /nfs/dbraw/zinc/81/55/39/890815539.db2.gz XPHQBCSSXDNYEL-ZOCIIQOWSA-N 0 0 384.476 3.590 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246252651 890850409 /nfs/dbraw/zinc/85/04/09/890850409.db2.gz YLSBESVICKQIJQ-NSISKUIASA-N 0 0 397.450 3.879 10 0 GHAERN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246272689 890910031 /nfs/dbraw/zinc/91/00/31/890910031.db2.gz ZYPVIOQRYXGIFR-ZTFGCOKTSA-N 0 0 399.516 3.666 10 0 GHAERN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246365174 891073454 /nfs/dbraw/zinc/07/34/54/891073454.db2.gz GXIQUXYPANBGHX-AJKIVAFUSA-N 0 0 389.492 3.682 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000067635057 891159790 /nfs/dbraw/zinc/15/97/90/891159790.db2.gz INIIVPIBESGABJ-APWZRJJASA-N 0 0 394.475 3.600 10 0 GHAERN CC[C@H](NC(=O)CSCC(=O)Nc1ccc(F)cc1)c1nc(C)cs1 ZINC000105511512 891162627 /nfs/dbraw/zinc/16/26/27/891162627.db2.gz YCHWNIZEFLKZDE-AWEZNQCLSA-N 0 0 381.498 3.530 10 0 GHAERN CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000069723345 891204728 /nfs/dbraw/zinc/20/47/28/891204728.db2.gz OJJWLQIEXFZOQV-PMACEKPBSA-N 0 0 390.491 3.530 10 0 GHAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246425819 891235035 /nfs/dbraw/zinc/23/50/35/891235035.db2.gz NNIYEAJLFDEFFJ-ZOBUZTSGSA-N 0 0 390.332 3.588 10 0 GHAERN C[C@@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C[C@@H](c2ccsc2)O1 ZINC000246544649 891284247 /nfs/dbraw/zinc/28/42/47/891284247.db2.gz QJLMUZXUZSEKCU-PVUWLOKVSA-N 0 0 388.514 3.540 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1)c1ccncc1 ZINC000246545663 891284879 /nfs/dbraw/zinc/28/48/79/891284879.db2.gz KCDFMHIBLJBBOW-ZCNNSNEGSA-N 0 0 381.476 3.521 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246577337 891288487 /nfs/dbraw/zinc/28/84/87/891288487.db2.gz VTSQDBIVSMLQJN-OWCLPIDISA-N 0 0 381.875 3.769 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246725879 891300935 /nfs/dbraw/zinc/30/09/35/891300935.db2.gz NTRUTERGQNCTIZ-PWIZWCRZSA-N 0 0 381.476 3.523 10 0 GHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000247228687 891357833 /nfs/dbraw/zinc/35/78/33/891357833.db2.gz UAOURYMABHKVFS-SJLPKXTDSA-N 0 0 398.557 3.685 10 0 GHAERN COc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OCC(F)(F)F ZINC000247644503 891389093 /nfs/dbraw/zinc/38/90/93/891389093.db2.gz VZEXBTPSPDMRAQ-MJBXVCDLSA-N 0 0 388.386 3.715 10 0 GHAERN O=C(c1ccccc1)N1[C@H](c2nc(-c3cnccn3)no2)C[C@@H]2CCCC[C@@H]21 ZINC000248662803 891454751 /nfs/dbraw/zinc/45/47/51/891454751.db2.gz HINSDHWBXVSIDD-SZMVWBNQSA-N 0 0 375.432 3.673 10 0 GHAERN CC(C)N1CC[C@H](NC(=O)CCc2ccncn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248681112 891457123 /nfs/dbraw/zinc/45/71/23/891457123.db2.gz WLZAHSAYOMHIOV-AZUAARDMSA-N 0 0 390.890 3.542 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248693672 891458431 /nfs/dbraw/zinc/45/84/31/891458431.db2.gz BYUIKHYQLQDZIC-DCPHZVHLSA-N 0 0 375.488 3.839 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccncc1 ZINC000102567581 898014649 /nfs/dbraw/zinc/01/46/49/898014649.db2.gz HITPXHIJRJDOLV-IBGZPJMESA-N 0 0 380.423 3.965 10 0 GHAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103236310 898075488 /nfs/dbraw/zinc/07/54/88/898075488.db2.gz VXEABNKAPYTBHY-UHFFFAOYSA-N 0 0 394.475 3.551 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000105187923 898200284 /nfs/dbraw/zinc/20/02/84/898200284.db2.gz FRCNWNOKQTWVFQ-SFHVURJKSA-N 0 0 384.499 3.711 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000333032202 899904837 /nfs/dbraw/zinc/90/48/37/899904837.db2.gz CIZAACLARVDJFR-ZDUSSCGKSA-N 0 0 378.398 3.722 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000333196374 900027167 /nfs/dbraw/zinc/02/71/67/900027167.db2.gz UEIXNZZWGMUAQD-OPGCRTJHSA-N 0 0 389.496 3.871 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000282982033 902031591 /nfs/dbraw/zinc/03/15/91/902031591.db2.gz BRXHKBLRZHVHEI-LPHOPBHVSA-N 0 0 384.524 3.697 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nc(C(F)(F)F)c(Br)s2)no1 ZINC000333585656 902206267 /nfs/dbraw/zinc/20/62/67/902206267.db2.gz UPUILTLUGUSNEU-ZCFIWIBFSA-N 0 0 383.193 3.957 10 0 GHAERN C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000175904034 905699678 /nfs/dbraw/zinc/69/96/78/905699678.db2.gz RTYMACXRVIXIOQ-ABAIWWIYSA-N 0 0 396.871 3.758 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176075933 905747275 /nfs/dbraw/zinc/74/72/75/905747275.db2.gz NNRKHURQMVSWCR-CXAGYDPISA-N 0 0 382.501 3.654 10 0 GHAERN CCc1nc(C2(NC(=O)Nc3cccc(-c4nccn4C)c3)CCCC2)no1 ZINC000176547606 905870808 /nfs/dbraw/zinc/87/08/08/905870808.db2.gz FEHOSQSKAXBKJH-UHFFFAOYSA-N 0 0 380.452 3.624 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182579100 907232473 /nfs/dbraw/zinc/23/24/73/907232473.db2.gz PZOFOABHACEYFQ-MSOLQXFVSA-N 0 0 395.507 3.765 10 0 GHAERN COc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1OCC(F)(F)F ZINC000183597540 907418218 /nfs/dbraw/zinc/41/82/18/907418218.db2.gz CMXRBFQAVJRQAQ-GFCCVEGCSA-N 0 0 399.373 3.514 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(Cn3cccn3)cc2)cs1 ZINC000186148281 907885191 /nfs/dbraw/zinc/88/51/91/907885191.db2.gz NDBNCUNETPCTPD-IBGZPJMESA-N 0 0 381.505 3.743 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000189117896 908286413 /nfs/dbraw/zinc/28/64/13/908286413.db2.gz UKNLIRZUXXTPBF-QFBILLFUSA-N 0 0 399.397 3.925 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cs1 ZINC000189177897 908293445 /nfs/dbraw/zinc/29/34/45/908293445.db2.gz XJJUSUFCZSTDJD-INIZCTEOSA-N 0 0 398.492 3.937 10 0 GHAERN CCCOCCOC(=O)c1ccnc(N2CCC[C@H]2c2csc(C)n2)c1 ZINC000189200766 908295496 /nfs/dbraw/zinc/29/54/96/908295496.db2.gz XDVLXPUQASLRBD-KRWDZBQOSA-N 0 0 375.494 3.771 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000189391666 908315230 /nfs/dbraw/zinc/31/52/30/908315230.db2.gz KEMOZAYLUHAUGV-DZGCQCFKSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C1 ZINC000189433831 908321979 /nfs/dbraw/zinc/32/19/79/908321979.db2.gz WNRCKMWVZZTYEH-RBUKOAKNSA-N 0 0 399.495 3.608 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000190018769 908405469 /nfs/dbraw/zinc/40/54/69/908405469.db2.gz MOBBFPQDZJCWLC-KLHDSHLOSA-N 0 0 396.274 3.777 10 0 GHAERN CC[C@H](C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1)c1cccc(C(F)(F)F)c1 ZINC000190053016 908412805 /nfs/dbraw/zinc/41/28/05/908412805.db2.gz GXPQNPYOKQNLMU-OWCLPIDISA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 ZINC000190127297 908432471 /nfs/dbraw/zinc/43/24/71/908432471.db2.gz GOIIAYBDOVVRSE-HKUYNNGSSA-N 0 0 397.479 3.983 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000190128074 908434150 /nfs/dbraw/zinc/43/41/50/908434150.db2.gz RZESFWNMQCTBJZ-YPMHNXCESA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000190128278 908434233 /nfs/dbraw/zinc/43/42/33/908434233.db2.gz VHNORYYXEBKUID-ZWNOBZJWSA-N 0 0 388.321 3.530 10 0 GHAERN CC[C@@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000192570661 908800323 /nfs/dbraw/zinc/80/03/23/908800323.db2.gz KEJIUIQSDIUBPP-HOCLYGCPSA-N 0 0 391.313 3.890 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000103809604 911080486 /nfs/dbraw/zinc/08/04/86/911080486.db2.gz XTZFRJNTYTZIMA-LAUBAEHRSA-N 0 0 384.451 3.892 10 0 GHAERN c1ccc(CNc2ncc(CN(Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000055386057 924040624 /nfs/dbraw/zinc/04/06/24/924040624.db2.gz FRCDJTZPPPSVJB-JOCHJYFZSA-N 0 0 389.503 3.665 10 0 GHAERN CCc1ccc2c(CNc3cccc4c3CCN4C(=O)COC)cc(=O)oc2c1 ZINC000184470641 1014574832 /nfs/dbraw/zinc/57/48/32/1014574832.db2.gz WHMUQDWVPNTDAF-UHFFFAOYSA-N 0 0 392.455 3.503 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)[C@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000185253331 1014577457 /nfs/dbraw/zinc/57/74/57/1014577457.db2.gz BJBYGAZFTZBXGF-SPLOXXLWSA-N 0 0 399.466 3.727 10 0 GHAERN Cn1cc([C@@H]2NC(=O)CC[C@H]2Nc2cnc3cc(Cl)c(Cl)cc3n2)cn1 ZINC000328633022 206236704 /nfs/dbraw/zinc/23/67/04/206236704.db2.gz SGXWOXVOUOGJDA-PXAZEXFGSA-N 0 0 391.262 3.942 10 0 GHAERN CCCOc1ccc(C(NC(=O)c2ccco2)NC(=O)c2ccco2)cc1OC ZINC000008048536 206294842 /nfs/dbraw/zinc/29/48/42/206294842.db2.gz OHQMGFQVTIXUHQ-UHFFFAOYSA-N 0 0 398.415 3.529 10 0 GHAERN O=c1c(-c2ccccc2Cl)cc(-c2ccccc2)nn1CCN1CCOCC1 ZINC000031571476 206304096 /nfs/dbraw/zinc/30/40/96/206304096.db2.gz JQDXUAXBZALKRU-UHFFFAOYSA-N 0 0 395.890 3.563 10 0 GHAERN CN(C)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1 ZINC000001041772 206344939 /nfs/dbraw/zinc/34/49/39/206344939.db2.gz IBSFPRLWTARWPV-UHFFFAOYSA-N 0 0 381.201 3.901 10 0 GHAERN Cc1c(C)n(Cc2ccccc2Cl)c(N)c1S(=O)(=O)c1ccccn1 ZINC000001047508 206346382 /nfs/dbraw/zinc/34/63/82/206346382.db2.gz HGODCLRYZXGPAO-UHFFFAOYSA-N 0 0 375.881 3.617 10 0 GHAERN COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1 ZINC000001165847 206362601 /nfs/dbraw/zinc/36/26/01/206362601.db2.gz BOEWSNCBYTZVDG-MHWRWJLKSA-N 0 0 386.404 3.509 10 0 GHAERN Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc4ccccc4c3)CC2=O)cc1 ZINC000003624105 206490425 /nfs/dbraw/zinc/49/04/25/206490425.db2.gz RTVLCCRIOMTIQW-HXUWFJFHSA-N 0 0 387.435 3.927 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)nc1 ZINC000004192701 206506961 /nfs/dbraw/zinc/50/69/61/206506961.db2.gz KMAOMHNUMLQKLA-FGZHOGPDSA-N 0 0 383.451 3.866 10 0 GHAERN Cc1oc(-c2ccccc2NC(=O)[C@@H]2CCCO2)nc1CNC(=O)CCC(C)C ZINC000014882239 207030601 /nfs/dbraw/zinc/03/06/01/207030601.db2.gz QQWQFTMQOKAMIG-IBGZPJMESA-N 0 0 399.491 3.820 10 0 GHAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2cnccn2)cc1 ZINC000015066240 207043287 /nfs/dbraw/zinc/04/32/87/207043287.db2.gz MRAWZHDTRHSJJH-FQEVSTJZSA-N 0 0 389.503 3.733 10 0 GHAERN CC[C@H](C)NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000015821956 207062390 /nfs/dbraw/zinc/06/23/90/207062390.db2.gz BYXKHAZRFGMOAY-HNNXBMFYSA-N 0 0 383.471 3.647 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(OC)cc1 ZINC000015920592 207068033 /nfs/dbraw/zinc/06/80/33/207068033.db2.gz DQYNCKBSGKRVOV-OAQYLSRUSA-N 0 0 377.444 3.667 10 0 GHAERN Nc1ccc(Cl)c(NS(=O)(=O)c2c(F)cc(F)cc2Br)c1 ZINC000038033808 207259656 /nfs/dbraw/zinc/25/96/56/207259656.db2.gz HVNXDHVZIUQNJA-UHFFFAOYSA-N 0 0 397.628 3.764 10 0 GHAERN CC(C)CC(=O)N1CCC(COc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000033310321 207452118 /nfs/dbraw/zinc/45/21/18/207452118.db2.gz YGJWLRBHPQLGDZ-UHFFFAOYSA-N 0 0 386.536 3.976 10 0 GHAERN Cc1cc([C@H]2C[C@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715002 207473936 /nfs/dbraw/zinc/47/39/36/207473936.db2.gz HZQSMVLYRUFFCP-OALUTQOASA-N 0 0 380.463 3.659 10 0 GHAERN CN(C)c1cccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000035475940 207491690 /nfs/dbraw/zinc/49/16/90/207491690.db2.gz YGQXREFHTQARDG-UHFFFAOYSA-N 0 0 399.494 3.886 10 0 GHAERN COc1ccc(/C=C/C(=O)OC[C@@H](C)OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000038636395 207560793 /nfs/dbraw/zinc/56/07/93/207560793.db2.gz HKNBZMRXMRPLMG-NNGURFJYSA-N 0 0 396.439 3.905 10 0 GHAERN COc1cc(OC)c(Nc2ncnc(-n3cnc4ccccc43)c2N)cc1Cl ZINC000040798662 207612118 /nfs/dbraw/zinc/61/21/18/207612118.db2.gz DMNWGHRTIJGZKP-UHFFFAOYSA-N 0 0 396.838 3.812 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075200 208152490 /nfs/dbraw/zinc/15/24/90/208152490.db2.gz DNWYAOUQCNWDPP-LBPRGKRZSA-N 0 0 389.327 3.862 10 0 GHAERN Clc1ccc(-c2nc(N3CCOCC3)sc2-c2nc[nH]n2)c(Cl)c1 ZINC000095564476 208231665 /nfs/dbraw/zinc/23/16/65/208231665.db2.gz GTDMVDLUZFYXJL-UHFFFAOYSA-N 0 0 382.276 3.739 10 0 GHAERN COc1ccc(/C=c2\nc(-c3ccccc3)n3c2cc(=O)n3-c2ccccc2)cc1 ZINC000096347031 208309884 /nfs/dbraw/zinc/30/98/84/208309884.db2.gz MXGWDBOSYKSFOZ-JWGURIENSA-N 0 0 393.446 3.709 10 0 GHAERN COCCn1c(SCc2ccc(C(=O)N3CCCC3)cc2)nnc1C(C)C ZINC000096294763 208305100 /nfs/dbraw/zinc/30/51/00/208305100.db2.gz ZVYFPZSMVFWYNC-UHFFFAOYSA-N 0 0 388.537 3.576 10 0 GHAERN CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1CCC(=O)NC ZINC000091563437 136176738 /nfs/dbraw/zinc/17/67/38/136176738.db2.gz GZZKUTRSWCGTLR-QFIPXVFZSA-N 0 0 393.531 3.697 10 0 GHAERN CCCn1c(-c2cccc(C(=O)N3CCN(CCC)CC3)c2)nc2cccnc21 ZINC000065172852 222106193 /nfs/dbraw/zinc/10/61/93/222106193.db2.gz BNGCNTBCBCKJBP-UHFFFAOYSA-N 0 0 391.519 3.676 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000065179469 222107104 /nfs/dbraw/zinc/10/71/04/222107104.db2.gz QBUJEPVORBRFIU-SFHVURJKSA-N 0 0 392.499 3.818 10 0 GHAERN CCCNc1cc(N2CCC[C@@H](CCC(=O)NCc3cccs3)C2)ncn1 ZINC000065242457 535193719 /nfs/dbraw/zinc/19/37/19/535193719.db2.gz YVDOHBSQOPMKML-INIZCTEOSA-N 0 0 387.553 3.673 10 0 GHAERN CCOC(=O)[C@@H]1CCCN(c2nc(CC)nc3c(-c4ccc(C)cc4)noc32)C1 ZINC000064775649 535525666 /nfs/dbraw/zinc/52/56/66/535525666.db2.gz FXCAMRIXJXBYBQ-MRXNPFEDSA-N 0 0 394.475 3.935 10 0 GHAERN CC(C)(C)OC(=O)c1cc2c(cc1N)CN(C(=O)OCc1ccccc1)CCO2 ZINC000725259361 570305767 /nfs/dbraw/zinc/30/57/67/570305767.db2.gz FDTZXQJEMMURQP-UHFFFAOYSA-N 0 0 398.459 3.755 10 0 GHAERN CS(=O)(=O)c1ccc(CN2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065403500 570766155 /nfs/dbraw/zinc/76/61/55/570766155.db2.gz IRAFCDYBBAJILE-HXUWFJFHSA-N 0 0 393.512 3.537 10 0 GHAERN CCOC(=O)N1CCN(Cc2nc3ccccc3c(NC3CCCCC3)n2)CC1 ZINC000012135378 570960313 /nfs/dbraw/zinc/96/03/13/570960313.db2.gz BPKBTKVRPAIDGU-UHFFFAOYSA-N 0 0 397.523 3.649 10 0 GHAERN O=C(Nc1ccc(F)cc1)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004893026 571005150 /nfs/dbraw/zinc/00/51/50/571005150.db2.gz AEEKAFDWBBWRSZ-SLDRDFCHSA-N 0 0 378.403 3.614 10 0 GHAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)s1 ZINC000176940535 837609110 /nfs/dbraw/zinc/60/91/10/837609110.db2.gz RCPAQINLPVELGD-CYBMUJFWSA-N 0 0 385.580 3.908 10 0 GHAERN Cc1cc2ncc(C(=O)N3C[C@@H](c4ccccc4Cl)OCC3(C)C)c(C)n2n1 ZINC000329230119 834591997 /nfs/dbraw/zinc/59/19/97/834591997.db2.gz JTXJWAFDKMNSEL-SFHVURJKSA-N 0 0 398.894 3.992 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3oc4c(cccc4Cl)c3C)CCO2)n1 ZINC000110906585 834803206 /nfs/dbraw/zinc/80/32/06/834803206.db2.gz GOSIAIDBQYTSTB-HNNXBMFYSA-N 0 0 387.867 3.749 10 0 GHAERN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2cncnc2C1 ZINC000329315490 834820388 /nfs/dbraw/zinc/82/03/88/834820388.db2.gz BAADFXGORRUYGR-CVEARBPZSA-N 0 0 376.485 3.721 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111825469 834998139 /nfs/dbraw/zinc/99/81/39/834998139.db2.gz PVIDGOHPKXKECI-GDBMZVCRSA-N 0 0 375.494 3.841 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)NCc3ccnc(OC4CCCCC4)c3)C2)c1 ZINC000111848197 834999676 /nfs/dbraw/zinc/99/96/76/834999676.db2.gz ZEIAETBGILHEMB-IBGZPJMESA-N 0 0 397.523 3.845 10 0 GHAERN Cc1oc(-c2ccsc2)nc1CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157849701 835119469 /nfs/dbraw/zinc/11/94/69/835119469.db2.gz AIRAEZVIWMNSKX-UHFFFAOYSA-N 0 0 396.516 3.743 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3ccc(OC(F)F)cc3)CC2)nc1 ZINC000157863901 835129576 /nfs/dbraw/zinc/12/95/76/835129576.db2.gz BWRVQICRBIOSFZ-UHFFFAOYSA-N 0 0 389.446 3.709 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000247778495 835314200 /nfs/dbraw/zinc/31/42/00/835314200.db2.gz RHGDHKMZMQYNNH-RHSMWYFYSA-N 0 0 391.313 3.618 10 0 GHAERN C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000158520103 835418860 /nfs/dbraw/zinc/41/88/60/835418860.db2.gz MNHVDWZSTQOHRS-QAPCUYQASA-N 0 0 398.898 3.896 10 0 GHAERN O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000030371090 835445076 /nfs/dbraw/zinc/44/50/76/835445076.db2.gz WKGSDNKECXSFFL-ZDCBYCKXSA-N 0 0 394.515 3.767 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cs1 ZINC000187537662 835455641 /nfs/dbraw/zinc/45/56/41/835455641.db2.gz HVRRTTAZVWACIX-CJNGLKHVSA-N 0 0 391.928 3.625 10 0 GHAERN Cc1ccc([C@H]2CN([C@@H](C)C(=O)Nc3ccccc3OC(F)F)CCO2)o1 ZINC000159057378 835706692 /nfs/dbraw/zinc/70/66/92/835706692.db2.gz GSGMBGRTLVVYLO-SUMWQHHRSA-N 0 0 380.391 3.590 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CCC(Oc4ccccn4)CC3)cc2NC1=O ZINC000329695368 835723691 /nfs/dbraw/zinc/72/36/91/835723691.db2.gz BKSXYKPKAJRZBW-CYBMUJFWSA-N 0 0 383.473 3.847 10 0 GHAERN C[C@H]1CN(c2ccnc(C(=O)NC3CCC(C(F)(F)F)CC3)c2)C[C@H](C)O1 ZINC000333168757 844098455 /nfs/dbraw/zinc/09/84/55/844098455.db2.gz JUGWVSKYJJRKAV-HESLUPGFSA-N 0 0 385.430 3.546 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(OC4CCCCC4)cc3)CCO2)n1 ZINC000117798841 836441985 /nfs/dbraw/zinc/44/19/85/836441985.db2.gz FBSQORJTNABYHQ-JOCHJYFZSA-N 0 0 397.519 3.753 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000113202490 836607152 /nfs/dbraw/zinc/60/71/52/836607152.db2.gz UNCORWCUZGVOTP-WBVHZDCISA-N 0 0 391.581 3.887 10 0 GHAERN CC1(C)CCCCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 ZINC000408416607 844192752 /nfs/dbraw/zinc/19/27/52/844192752.db2.gz OAMORXSSKFXCIU-UHFFFAOYSA-N 0 0 397.496 3.716 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)CC3CCCCC3)C2)sc1C ZINC000332880193 836856966 /nfs/dbraw/zinc/85/69/66/836856966.db2.gz CIGXMUDNIZIWIR-YJBOKZPZSA-N 0 0 391.581 3.941 10 0 GHAERN Cc1cccc(OC(F)F)c1NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103079526 837261502 /nfs/dbraw/zinc/26/15/02/837261502.db2.gz IANWGECUVFKMTA-LBPRGKRZSA-N 0 0 396.340 3.866 10 0 GHAERN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCC(Nc2cccnn2)CC1 ZINC000153729153 837274442 /nfs/dbraw/zinc/27/44/42/837274442.db2.gz PBVMKUAGWWFUJQ-UHFFFAOYSA-N 0 0 397.498 3.714 10 0 GHAERN Cc1cccc(NC(=O)C[S@@](=O)Cc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000103224519 837277325 /nfs/dbraw/zinc/27/73/25/837277325.db2.gz XVFLAGJPQAHABD-HHHXNRCGSA-N 0 0 390.411 3.816 10 0 GHAERN COc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)ccc1NC(C)=O ZINC000103315509 837302854 /nfs/dbraw/zinc/30/28/54/837302854.db2.gz CIAJGGGHFAKQSZ-NRFANRHFSA-N 0 0 390.443 3.960 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000103616607 837352450 /nfs/dbraw/zinc/35/24/50/837352450.db2.gz MIWODTLEFMOMTJ-JOCHJYFZSA-N 0 0 388.471 3.671 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@H](c4cccs4)C3)CCO2)n1 ZINC000333202909 844262783 /nfs/dbraw/zinc/26/27/83/844262783.db2.gz RUCBLMFUAPPVPH-ILXRZTDVSA-N 0 0 393.534 3.516 10 0 GHAERN O=C([C@H]1CCCN1c1ncnc2sccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067046317 838044793 /nfs/dbraw/zinc/04/47/93/838044793.db2.gz BHYUWQFKPXOFPK-DZGCQCFKSA-N 0 0 399.545 3.523 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc3nc(C)sc3c2)cs1 ZINC000330170731 838209831 /nfs/dbraw/zinc/20/98/31/838209831.db2.gz BVPPNODCEGXYMO-HNNXBMFYSA-N 0 0 379.532 3.895 10 0 GHAERN Brc1ccc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)s1 ZINC000114455677 838224724 /nfs/dbraw/zinc/22/47/24/838224724.db2.gz WFDIGMSENUUQRL-WDEREUQCSA-N 0 0 384.299 3.704 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(F)c(F)cc2Br)[nH]1 ZINC000407979751 838369653 /nfs/dbraw/zinc/36/96/53/838369653.db2.gz FRNDEUPQYRQCIX-CYBMUJFWSA-N 0 0 385.212 3.521 10 0 GHAERN CCC1CCC(NC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000080082146 838442932 /nfs/dbraw/zinc/44/29/32/838442932.db2.gz FCAGUCJOIWPPSY-UHFFFAOYSA-N 0 0 375.488 3.652 10 0 GHAERN CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328680304 838445787 /nfs/dbraw/zinc/44/57/87/838445787.db2.gz BYEAKJMCMJHBJO-DJJJIMSYSA-N 0 0 378.879 3.889 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1ccc3[nH]c4c(c3c1)C[C@@H](C)CC4)C2 ZINC000408032970 838923442 /nfs/dbraw/zinc/92/34/42/838923442.db2.gz FWFFZQCGUGBBDL-AWEZNQCLSA-N 0 0 377.492 3.664 10 0 GHAERN Cc1ccc(CN2C[C@@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)cc1 ZINC000115365802 839124293 /nfs/dbraw/zinc/12/42/93/839124293.db2.gz GPDULQGZIRQGPU-ZWKOTPCHSA-N 0 0 383.517 3.554 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccc(Cl)cc34)C2)n1 ZINC000123024534 839131099 /nfs/dbraw/zinc/13/10/99/839131099.db2.gz GEHJHNHYLDUJBE-OAHLLOKOSA-N 0 0 385.899 3.511 10 0 GHAERN O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408039733 839225495 /nfs/dbraw/zinc/22/54/95/839225495.db2.gz XVIREBLWCFMNLR-ZBEGNZNMSA-N 0 0 389.858 3.576 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)N2CCc3[nH]c4ccccc4c3C2)cs1 ZINC000330209304 839337713 /nfs/dbraw/zinc/33/77/13/839337713.db2.gz BPBCOYHLKRFUCO-FQEVSTJZSA-N 0 0 380.517 3.655 10 0 GHAERN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2nc(C)c(Br)s2)o1 ZINC000408086956 840444446 /nfs/dbraw/zinc/44/44/46/840444446.db2.gz AXXDJYFXEXVRKA-SNVBAGLBSA-N 0 0 391.312 3.641 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC[C@@H](c3nncn3C(C)C)C2)ccc1OC ZINC000109998781 840583870 /nfs/dbraw/zinc/58/38/70/840583870.db2.gz PQEORRZROGVQIR-SXAWMYDMSA-N 0 0 398.507 3.686 10 0 GHAERN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000110421059 840593473 /nfs/dbraw/zinc/59/34/73/840593473.db2.gz YWOIXOSBKIFMSU-STSQHVNTSA-N 0 0 392.499 3.800 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000109081156 840687844 /nfs/dbraw/zinc/68/78/44/840687844.db2.gz HVQZKGRRBKCVRP-ZWKOTPCHSA-N 0 0 390.474 3.710 10 0 GHAERN C[C@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)Cc2ccccc2C(=O)O1 ZINC000002430231 840755695 /nfs/dbraw/zinc/75/56/95/840755695.db2.gz MKLGBUBBDWOTSM-OAQYLSRUSA-N 0 0 396.443 3.983 10 0 GHAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000277035718 844578990 /nfs/dbraw/zinc/57/89/90/844578990.db2.gz AIZFIDCSZXXMCF-QZTJIDSGSA-N 0 0 393.915 3.611 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCC(c2nnc3ccccn32)CC1 ZINC000119175971 840907946 /nfs/dbraw/zinc/90/79/46/840907946.db2.gz GTFGUSUAKJTCRV-IBGZPJMESA-N 0 0 393.466 3.835 10 0 GHAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119640897 841158862 /nfs/dbraw/zinc/15/88/62/841158862.db2.gz BPKXMYZHEHXZCH-ACJLOTCBSA-N 0 0 377.282 3.698 10 0 GHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000246464308 841651171 /nfs/dbraw/zinc/65/11/71/841651171.db2.gz AHJLFNZQRBCSBA-JSOPPFHZSA-N 0 0 378.513 3.803 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)o1 ZINC000246475088 841689715 /nfs/dbraw/zinc/68/97/15/841689715.db2.gz WLSUXBFDCALBOC-YRNRMSPPSA-N 0 0 379.522 3.840 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408186972 842041092 /nfs/dbraw/zinc/04/10/92/842041092.db2.gz KDOUHMCZYIKYNC-TURKWSHLSA-N 0 0 383.300 3.960 10 0 GHAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000408290552 842097560 /nfs/dbraw/zinc/09/75/60/842097560.db2.gz QDGLJBBIBWYEIF-CXAGYDPISA-N 0 0 394.928 3.596 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccnc(N3CCCC3)c2)C12CCCC2 ZINC000153232924 842322123 /nfs/dbraw/zinc/32/21/23/842322123.db2.gz QDCMDWLRUPWXTA-OALUTQOASA-N 0 0 386.540 3.561 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCc1ccc(Br)cc1 ZINC000588434003 842440181 /nfs/dbraw/zinc/44/01/81/842440181.db2.gz PMJUWUDFSSFIHB-PLNGDYQASA-N 0 0 397.313 3.579 10 0 GHAERN O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1Cc1ccc(N2CCCCCC2)nc1 ZINC000329357837 861322495 /nfs/dbraw/zinc/32/24/95/861322495.db2.gz HJQITEPQSIRNGR-QRVBRYPASA-N 0 0 382.508 3.557 10 0 GHAERN O=C(c1cc(Br)cc2cccnc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328882970 842791062 /nfs/dbraw/zinc/79/10/62/842791062.db2.gz MBRLZVYANCYYIH-AUUYWEPGSA-N 0 0 389.293 3.765 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)NCCc2csc(N3CCCC3)n2)cc1F ZINC000588445764 842847074 /nfs/dbraw/zinc/84/70/74/842847074.db2.gz ISWLCIKNXNKKLY-KAMYIIQDSA-N 0 0 389.496 3.653 10 0 GHAERN C[C@@H]1N(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CCOC1(C)C ZINC000408366393 842899935 /nfs/dbraw/zinc/89/99/35/842899935.db2.gz LZHPORATNDROIC-JTQLQIEISA-N 0 0 384.267 3.605 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000408366436 842900058 /nfs/dbraw/zinc/90/00/58/842900058.db2.gz OACSYLVNULXPDT-GUDVDZBRSA-N 0 0 378.538 3.506 10 0 GHAERN COc1cc2c(cc1CNC(=O)NC1CCC(C(F)(F)F)CC1)O[C@@H](C)C2 ZINC000123613617 842942206 /nfs/dbraw/zinc/94/22/06/842942206.db2.gz JVCCRQACOPZUBN-QGLTVNCISA-N 0 0 386.414 3.939 10 0 GHAERN COCCOc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000162542769 843272246 /nfs/dbraw/zinc/27/22/46/843272246.db2.gz HPFYTIYMNYRFNT-BTYIYWSLSA-N 0 0 396.491 3.587 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112414900 843349358 /nfs/dbraw/zinc/34/93/58/843349358.db2.gz RMCWZFAIZLPOOQ-UHFFFAOYSA-N 0 0 395.431 3.730 10 0 GHAERN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[C@H]2CCC[C@H]21 ZINC000330288818 843516483 /nfs/dbraw/zinc/51/64/83/843516483.db2.gz BTMFABGNFHHBQR-ZYHUDNBSSA-N 0 0 396.310 3.894 10 0 GHAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1C ZINC000408399108 843532247 /nfs/dbraw/zinc/53/22/47/843532247.db2.gz FJJGAWAKGWBZTM-OAHLLOKOSA-N 0 0 381.929 3.529 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@H]3CCC[C@@H]32)cc1Cl ZINC000330295828 843560273 /nfs/dbraw/zinc/56/02/73/843560273.db2.gz FWJGPCLVZYPZGE-CJNGLKHVSA-N 0 0 376.913 3.722 10 0 GHAERN C[C@@]12CN(C(=O)Nc3cc(Cl)cc4c3OCC(=O)N4)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333049557 843915923 /nfs/dbraw/zinc/91/59/23/843915923.db2.gz BILBDNKIFVSSLA-RDUAZDEBSA-N 0 0 375.856 3.571 10 0 GHAERN Cc1csc2c1ncnc2N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000329480695 861514879 /nfs/dbraw/zinc/51/48/79/861514879.db2.gz VQXRNXZNIANGHM-HNNXBMFYSA-N 0 0 381.505 3.653 10 0 GHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](c2ccsc2)C1)c1ccc2c(c1)OCCO2 ZINC000246329205 845235869 /nfs/dbraw/zinc/23/58/69/845235869.db2.gz DNJWYCIUGFPPSZ-PJIJBLCYSA-N 0 0 388.489 3.752 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)C1 ZINC000151571244 845251899 /nfs/dbraw/zinc/25/18/99/845251899.db2.gz QOAFTTKOVBEGES-ZWKOTPCHSA-N 0 0 376.570 3.674 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248960533 845481379 /nfs/dbraw/zinc/48/13/79/845481379.db2.gz MJSJMAPDWHBNIB-AOLWHUPESA-N 0 0 396.274 3.777 10 0 GHAERN CCn1c(N2CCn3c(nnc3C(C)C)C2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329543983 861627487 /nfs/dbraw/zinc/62/74/87/861627487.db2.gz FSJBBEUJFIHUAH-UHFFFAOYSA-N 0 0 395.555 3.501 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000152206571 846389574 /nfs/dbraw/zinc/38/95/74/846389574.db2.gz ZLUAXWFSEKDJNR-IAGOWNOFSA-N 0 0 389.521 3.608 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)n1 ZINC000152263365 846511447 /nfs/dbraw/zinc/51/14/47/846511447.db2.gz YNMJKEYESBQDJB-UHFFFAOYSA-N 0 0 377.448 3.836 10 0 GHAERN CC(C)c1cc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n(-c2ncccn2)n1 ZINC000333558559 846926273 /nfs/dbraw/zinc/92/62/73/846926273.db2.gz VXFMMIWAOPISBW-KQDGPHEJSA-N 0 0 380.496 3.686 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc2c(s1)-c1ccccc1CC2 ZINC000118672037 847033903 /nfs/dbraw/zinc/03/39/03/847033903.db2.gz AETXTAQEYBHNKM-KRWDZBQOSA-N 0 0 390.512 3.703 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(=O)[nH]c4cc(F)ccc43)C2)cc1 ZINC000152654731 847478887 /nfs/dbraw/zinc/47/88/87/847478887.db2.gz LIIFRRJJDKGGHD-DZGCQCFKSA-N 0 0 380.419 3.694 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3nc(-c4ccoc4)no3)C2)cc1 ZINC000152656044 847482451 /nfs/dbraw/zinc/48/24/51/847482451.db2.gz ICYLGOALYWJSQJ-RHSMWYFYSA-N 0 0 381.432 3.675 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CCO2)o1 ZINC000153081015 848096210 /nfs/dbraw/zinc/09/62/10/848096210.db2.gz ZXEDDOKPOKGZIW-HXUWFJFHSA-N 0 0 397.475 3.820 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153086491 848108626 /nfs/dbraw/zinc/10/86/26/848108626.db2.gz BTDIQIQIFHKSPX-LJQANCHMSA-N 0 0 385.464 3.675 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153086398 848108727 /nfs/dbraw/zinc/10/87/27/848108727.db2.gz BTDIQIQIFHKSPX-IBGZPJMESA-N 0 0 385.464 3.675 10 0 GHAERN C[C@@]1(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1(Cl)Cl ZINC000153427969 848485035 /nfs/dbraw/zinc/48/50/35/848485035.db2.gz IJFKXKVNCDXDLE-WFASDCNBSA-N 0 0 380.218 3.772 10 0 GHAERN C[C@@]1(C(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1(Cl)Cl ZINC000153428160 848485638 /nfs/dbraw/zinc/48/56/38/848485638.db2.gz IJFKXKVNCDXDLE-DOMZBBRYSA-N 0 0 380.218 3.772 10 0 GHAERN Cn1cc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c(C2CCCCC2)n1 ZINC000329652794 861914216 /nfs/dbraw/zinc/91/42/16/861914216.db2.gz DMQXBDUBDJUMKA-UHFFFAOYSA-N 0 0 393.491 3.571 10 0 GHAERN COc1cccc(/C(C)=C\C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000588562732 848833144 /nfs/dbraw/zinc/83/31/44/848833144.db2.gz GMNBVRUDHIOKRA-SZGZABIGSA-N 0 0 384.442 3.878 10 0 GHAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000246747361 849053214 /nfs/dbraw/zinc/05/32/14/849053214.db2.gz OZNGLIKTFOPJDZ-WWEVIYMKSA-N 0 0 390.531 3.615 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(C)[C@@H]1CCCc2c1cnn2C ZINC000155112910 849467471 /nfs/dbraw/zinc/46/74/71/849467471.db2.gz VXBPPBCWLZCKTI-OAGJVSPASA-N 0 0 389.931 3.784 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1cccc(-c2ccccn2)c1 ZINC000155787431 849637070 /nfs/dbraw/zinc/63/70/70/849637070.db2.gz UKITXGWSIZZNRD-HXUWFJFHSA-N 0 0 389.480 3.868 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCc4ccc(F)cc43)CCO2)n1 ZINC000282988790 850206687 /nfs/dbraw/zinc/20/66/87/850206687.db2.gz FIWYNKKKHKSMPG-DLBZAZTESA-N 0 0 375.469 3.751 10 0 GHAERN CCCN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549127 851671060 /nfs/dbraw/zinc/67/10/60/851671060.db2.gz YOOMPPFJPGCNBZ-JKSUJKDBSA-N 0 0 399.457 3.527 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc2ncccc21 ZINC000101582011 851691895 /nfs/dbraw/zinc/69/18/95/851691895.db2.gz JQFXKRNVAXTSTF-UHFFFAOYSA-N 0 0 397.431 3.550 10 0 GHAERN C[C@@H](NC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1 ZINC000101605176 851725086 /nfs/dbraw/zinc/72/50/86/851725086.db2.gz LYQRCQMXVQRUQW-CQSZACIVSA-N 0 0 397.866 3.525 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C12CCCC2 ZINC000121247844 851801544 /nfs/dbraw/zinc/80/15/44/851801544.db2.gz IPNFERTWFWLRGU-DLBZAZTESA-N 0 0 381.476 3.839 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C12CCCC2 ZINC000121248299 851801592 /nfs/dbraw/zinc/80/15/92/851801592.db2.gz IPNFERTWFWLRGU-SJORKVTESA-N 0 0 381.476 3.839 10 0 GHAERN C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3cc(Br)ccc32)c2nccn21 ZINC000333874887 851887976 /nfs/dbraw/zinc/88/79/76/851887976.db2.gz VHCKKCXNPPKBIN-ONERCXAPSA-N 0 0 375.270 3.638 10 0 GHAERN O=C(NCCCCOCc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000101999190 852080091 /nfs/dbraw/zinc/08/00/91/852080091.db2.gz ZMJCHVKPHOKWEQ-UHFFFAOYSA-N 0 0 396.466 3.808 10 0 GHAERN O=c1nc(Cc2noc([C@@H]3CCCSC3)n2)[nH]c2sc3c(c21)CCCC3 ZINC000329785024 862320786 /nfs/dbraw/zinc/32/07/86/862320786.db2.gz PSQVZQRSLCUEBQ-SNVBAGLBSA-N 0 0 388.518 3.860 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c2ccccc21 ZINC000329846862 862369389 /nfs/dbraw/zinc/36/93/89/862369389.db2.gz QXGBXKGEOFUHGI-FXAWDEMLSA-N 0 0 380.492 3.621 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CCO[C@H](c3cccs3)C1)C2 ZINC000334090580 854046389 /nfs/dbraw/zinc/04/63/89/854046389.db2.gz NXQSRSPAGQZVIS-YOEHRIQHSA-N 0 0 388.537 3.593 10 0 GHAERN C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)N(c1nccs1)C1CCCCC1 ZINC000328711006 854517990 /nfs/dbraw/zinc/51/79/90/854517990.db2.gz RFRFJJQNFLZXOU-HOCLYGCPSA-N 0 0 390.553 3.829 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)[nH]1 ZINC000328761925 854532454 /nfs/dbraw/zinc/53/24/54/854532454.db2.gz YKFZSOHOIIZVLJ-PMPSAXMXSA-N 0 0 389.297 3.733 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)C1 ZINC000328769151 854534715 /nfs/dbraw/zinc/53/47/15/854534715.db2.gz QMFVYEBDESSGER-QQXKLLMISA-N 0 0 390.572 3.858 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(F)c(Cl)c1 ZINC000125360246 854704590 /nfs/dbraw/zinc/70/45/90/854704590.db2.gz AWQXNZYQIODCLH-CYBMUJFWSA-N 0 0 378.879 3.938 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000189166034 855044980 /nfs/dbraw/zinc/04/49/80/855044980.db2.gz DFHJATYIVSKLTF-MGPLVRAMSA-N 0 0 389.240 3.886 10 0 GHAERN Cc1nc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1Br ZINC000128782609 855132458 /nfs/dbraw/zinc/13/24/58/855132458.db2.gz RFFYJUSSTVYEHK-UONOGXRCSA-N 0 0 378.274 3.654 10 0 GHAERN C[C@H](C(=O)N1CCc2ccccc21)[S@](=O)Cc1csc(Br)c1 ZINC000105692055 855132468 /nfs/dbraw/zinc/13/24/68/855132468.db2.gz HHICRDKAILXNFA-XFNZEKPQSA-N 0 0 398.347 3.737 10 0 GHAERN C[C@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692213 855132502 /nfs/dbraw/zinc/13/25/02/855132502.db2.gz PWLOJCNVWRVAFR-FIKIJFGZSA-N 0 0 392.384 3.844 10 0 GHAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000330186652 862644860 /nfs/dbraw/zinc/64/48/60/862644860.db2.gz JWVRKWGULHKVIU-MOPGFXCFSA-N 0 0 398.956 3.502 10 0 GHAERN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000246976928 855350653 /nfs/dbraw/zinc/35/06/53/855350653.db2.gz OUBDBSPZDPBIDX-MGPUTAFESA-N 0 0 389.496 3.515 10 0 GHAERN CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1OCC ZINC000029247373 856030753 /nfs/dbraw/zinc/03/07/53/856030753.db2.gz HLNZXUXEAXAYGP-KRWDZBQOSA-N 0 0 398.507 3.779 10 0 GHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000103975065 856297187 /nfs/dbraw/zinc/29/71/87/856297187.db2.gz CPLYWRGNXUAMGM-ZDUSSCGKSA-N 0 0 392.272 3.502 10 0 GHAERN CCOC(=O)c1csc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)n1 ZINC000044516722 856660590 /nfs/dbraw/zinc/66/05/90/856660590.db2.gz UGGHLFASRPMREE-UHFFFAOYSA-N 0 0 391.449 3.764 10 0 GHAERN CCN(CC)C(=O)CCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218557 856972150 /nfs/dbraw/zinc/97/21/50/856972150.db2.gz CAJNNLOKNAJURC-LJQANCHMSA-N 0 0 396.535 3.821 10 0 GHAERN CN(CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C(=O)c1cccs1 ZINC000129867597 858067486 /nfs/dbraw/zinc/06/74/86/858067486.db2.gz LFEKFAPRNVPQPM-INIZCTEOSA-N 0 0 384.501 3.773 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cccc3ccccc31)CC2 ZINC000172606736 858390432 /nfs/dbraw/zinc/39/04/32/858390432.db2.gz LFMQOIMHVSRQOE-SFHVURJKSA-N 0 0 377.492 3.711 10 0 GHAERN O=C(NC1CC1)c1noc([C@@H]2CCCN2Cc2csc(Cl)c2Cl)n1 ZINC000330341426 863023050 /nfs/dbraw/zinc/02/30/50/863023050.db2.gz ZEYWZFCMYHMCMO-JTQLQIEISA-N 0 0 387.292 3.667 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)CC2 ZINC000161517962 859672045 /nfs/dbraw/zinc/67/20/45/859672045.db2.gz VUFLAFMZKCLXFA-OALUTQOASA-N 0 0 381.524 3.523 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccncc1 ZINC000022753433 860270818 /nfs/dbraw/zinc/27/08/18/860270818.db2.gz UHJHTVZHPNMTIU-PXNSSMCTSA-N 0 0 387.483 3.964 10 0 GHAERN O=C(C[C@H]1CCc2ccccc2C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267773104 860420755 /nfs/dbraw/zinc/42/07/55/860420755.db2.gz ZNAOJXTZDYLSAM-PXNSSMCTSA-N 0 0 378.520 3.863 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@]34CCC(=O)N3c3ccccc3S4)C2)n1 ZINC000173064912 860435823 /nfs/dbraw/zinc/43/58/23/860435823.db2.gz AZZXDKGJTRTMPX-VLIAUNLRSA-N 0 0 399.541 3.787 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000173075455 860697487 /nfs/dbraw/zinc/69/74/87/860697487.db2.gz AGARPNDYBAWSOF-SQNIBIBYSA-N 0 0 389.565 3.586 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)Cc3c(C)nn(C(F)F)c3C)n2)c1 ZINC000102910768 860898799 /nfs/dbraw/zinc/89/87/99/860898799.db2.gz ZEMOCULTUXMEAZ-UHFFFAOYSA-N 0 0 393.419 3.603 10 0 GHAERN CCOc1ccc(N2C(=O)c3ccc(C(=O)N4CCCC4(C)C)cc3C2=O)cc1 ZINC000102919408 860902596 /nfs/dbraw/zinc/90/25/96/860902596.db2.gz QOBOAJTWBDLOQS-UHFFFAOYSA-N 0 0 392.455 3.901 10 0 GHAERN COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc4c(c3)OCO4)no2)cc1 ZINC000102950424 860915999 /nfs/dbraw/zinc/91/59/99/860915999.db2.gz NVTWKBRESZYBQM-QGZVFWFLSA-N 0 0 379.416 3.811 10 0 GHAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102958575 860920023 /nfs/dbraw/zinc/92/00/23/860920023.db2.gz ZDWZTPRAYDGZMF-DNVCBOLYSA-N 0 0 382.460 3.989 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000329112166 861031568 /nfs/dbraw/zinc/03/15/68/861031568.db2.gz HAELTGSMCZSZDU-XGXHKWSGSA-N 0 0 377.529 3.594 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)[C@H]3CCCO[C@@H]3c3ccc(C)cc3)CCO2)n1 ZINC000329123433 861040970 /nfs/dbraw/zinc/04/09/70/861040970.db2.gz LLCXFHKPPGZLKR-GBESFXJTSA-N 0 0 386.517 3.828 10 0 GHAERN COc1cc(OC)c(CNC(=O)NCCc2c[nH]c3cccc(C)c23)c(OC)c1 ZINC000103179232 863901948 /nfs/dbraw/zinc/90/19/48/863901948.db2.gz WGCMFIPOKODYTC-UHFFFAOYSA-N 0 0 397.475 3.544 10 0 GHAERN O=C(NCc1ccc(OCC2CC2)nc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103181471 863903578 /nfs/dbraw/zinc/90/35/78/863903578.db2.gz SFXIHROTWWSUQI-QFIPXVFZSA-N 0 0 388.471 3.854 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NC[C@@H]3CCN(c4ccccc4)C3)c21 ZINC000103180156 863903711 /nfs/dbraw/zinc/90/37/11/863903711.db2.gz DEQRNLAMWCPTLF-SFHVURJKSA-N 0 0 376.504 3.845 10 0 GHAERN CCNC(=O)c1ccc(C)c(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103235347 863918766 /nfs/dbraw/zinc/91/87/66/863918766.db2.gz DNNHLNNWWIXKFA-UHFFFAOYSA-N 0 0 378.476 3.899 10 0 GHAERN CCCS(=O)(=O)c1ccccc1C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103128524 863925993 /nfs/dbraw/zinc/92/59/93/863925993.db2.gz ZMUQEUCBLCSTQQ-UHFFFAOYSA-N 0 0 384.501 3.633 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CC[C@H]3Cc4ccccc4NC3=O)c21 ZINC000103128987 863926219 /nfs/dbraw/zinc/92/62/19/863926219.db2.gz QKHOVCKJTIVONM-KRWDZBQOSA-N 0 0 375.472 3.726 10 0 GHAERN CC(=O)N[C@H](CC(=O)Nc1nnc(CC2CCCCC2)s1)c1ccccc1 ZINC000103421110 863977381 /nfs/dbraw/zinc/97/73/81/863977381.db2.gz RTZZPHWNRAUZFY-QGZVFWFLSA-N 0 0 386.521 3.867 10 0 GHAERN COc1ccccc1SC[C@@H](C)CNC(=O)c1ccc(CNC(C)=O)s1 ZINC000103421660 863978598 /nfs/dbraw/zinc/97/85/98/863978598.db2.gz RPIRFLZUMUFHMH-ZDUSSCGKSA-N 0 0 392.546 3.551 10 0 GHAERN Cc1cc(C)cc(-n2ccnc2S(=O)(=O)[C@@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000103621337 864051559 /nfs/dbraw/zinc/05/15/59/864051559.db2.gz DWHBLBUGOMKPHE-AWEZNQCLSA-N 0 0 388.493 3.705 10 0 GHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103786644 864094029 /nfs/dbraw/zinc/09/40/29/864094029.db2.gz ULPANSQXJDSHMM-UHFFFAOYSA-N 0 0 390.834 3.938 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)NCCCCNc2ccccn2)n1 ZINC000104002674 864149743 /nfs/dbraw/zinc/14/97/43/864149743.db2.gz BTSXZXWJFKIMKZ-UHFFFAOYSA-N 0 0 397.504 3.687 10 0 GHAERN COc1ccccc1CCN(C)CC(=O)Nc1ccccc1Br ZINC000104709903 864553383 /nfs/dbraw/zinc/55/33/83/864553383.db2.gz JMLCTSXBSZBTLF-UHFFFAOYSA-N 0 0 377.282 3.571 10 0 GHAERN COc1ccc(-c2nc(NC(=O)CNC(=O)c3ccccc3C)sc2C)cc1 ZINC000104824750 864668278 /nfs/dbraw/zinc/66/82/78/864668278.db2.gz WLJKTAAIQDYULV-UHFFFAOYSA-N 0 0 395.484 3.804 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 ZINC000104998944 864794148 /nfs/dbraw/zinc/79/41/48/864794148.db2.gz YARSJVXSZKRMNS-UHFFFAOYSA-N 0 0 395.503 3.946 10 0 GHAERN COc1ccc(C)cc1N1C[C@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O ZINC000303247385 865114558 /nfs/dbraw/zinc/11/45/58/865114558.db2.gz MBXWIOPVQGFMJU-CVEARBPZSA-N 0 0 399.516 3.567 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000155173363 865412353 /nfs/dbraw/zinc/41/23/53/865412353.db2.gz RGAVLDRUXHHROT-KDOFPFPSSA-N 0 0 385.430 3.930 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 ZINC000109674661 866601048 /nfs/dbraw/zinc/60/10/48/866601048.db2.gz YKIXZLOZDHTQBW-AGRHKRQWSA-N 0 0 380.492 3.609 10 0 GHAERN CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000112701234 866738628 /nfs/dbraw/zinc/73/86/28/866738628.db2.gz BIERPZSFANJRMD-AWEZNQCLSA-N 0 0 380.916 3.581 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)o1 ZINC000173591281 866807650 /nfs/dbraw/zinc/80/76/50/866807650.db2.gz WFKXJEUMRYBKGD-SJORKVTESA-N 0 0 388.489 3.743 10 0 GHAERN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151216819 867058332 /nfs/dbraw/zinc/05/83/32/867058332.db2.gz NAJZDAUFQNRPSE-OPAMFIHVSA-N 0 0 399.512 3.954 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1C=CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170673105 882046234 /nfs/dbraw/zinc/04/62/34/882046234.db2.gz NHTUPXVKHXHQGI-LFAOLKIESA-N 0 0 375.904 3.643 10 0 GHAERN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C(C)C)cc1 ZINC000170890802 882067851 /nfs/dbraw/zinc/06/78/51/882067851.db2.gz VFGFQBXHLDUZEV-QZTJIDSGSA-N 0 0 385.533 3.612 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(F)cc1 ZINC000171373153 882102521 /nfs/dbraw/zinc/10/25/21/882102521.db2.gz RLNHUKCZUHYQBY-INIZCTEOSA-N 0 0 395.482 3.735 10 0 GHAERN O=C(Nc1ccc2c(c1)CCCO2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000171383528 882103968 /nfs/dbraw/zinc/10/39/68/882103968.db2.gz VGXJXADCRVUTCQ-UHFFFAOYSA-N 0 0 385.508 3.658 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171615205 882116765 /nfs/dbraw/zinc/11/67/65/882116765.db2.gz FUKWLWJHXKXDIO-KKSFZXQISA-N 0 0 377.488 3.771 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000171589202 882143330 /nfs/dbraw/zinc/14/33/30/882143330.db2.gz HKLKRLBDBIVZTJ-GOSISDBHSA-N 0 0 396.882 3.656 10 0 GHAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171812375 882162608 /nfs/dbraw/zinc/16/26/08/882162608.db2.gz XKVUVVOJGFEMFP-SFHVURJKSA-N 0 0 382.529 3.933 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)CC2)n1 ZINC000172132023 882171503 /nfs/dbraw/zinc/17/15/03/882171503.db2.gz CEHBAYJTWWLSRN-RBBKRZOGSA-N 0 0 394.519 3.578 10 0 GHAERN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CCC(Cc2ccccn2)CC1 ZINC000172001817 882182249 /nfs/dbraw/zinc/18/22/49/882182249.db2.gz MVCMPRKJZRMJLX-UHFFFAOYSA-N 0 0 384.911 3.825 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000091949436 882222822 /nfs/dbraw/zinc/22/28/22/882222822.db2.gz MGVYXYFIGVENRD-OAHLLOKOSA-N 0 0 380.964 3.667 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2cccs2)c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172454730 882277609 /nfs/dbraw/zinc/27/76/09/882277609.db2.gz VUFXGIFFVRWWNB-PKOBYXMFSA-N 0 0 393.468 3.780 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172465621 882278428 /nfs/dbraw/zinc/27/84/28/882278428.db2.gz ZCTVZFRRIUHSEM-SFTDATJTSA-N 0 0 390.487 3.835 10 0 GHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172738744 882304288 /nfs/dbraw/zinc/30/42/88/882304288.db2.gz JJPHDCRLUJQSBS-INIZCTEOSA-N 0 0 391.471 3.900 10 0 GHAERN CC(C)c1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172941497 882324409 /nfs/dbraw/zinc/32/44/09/882324409.db2.gz FWIIVNJHILOUHE-UHFFFAOYSA-N 0 0 379.504 3.716 10 0 GHAERN COc1ccc(N(C(=O)C2CCN(C(=O)c3ccccn3)CC2)C(C)C)cc1F ZINC000172938484 882324963 /nfs/dbraw/zinc/32/49/63/882324963.db2.gz ZMXDRMATICSQJO-UHFFFAOYSA-N 0 0 399.466 3.523 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCc3cc(F)ccc3C2)c2ccccc2F)no1 ZINC000092315144 882330961 /nfs/dbraw/zinc/33/09/61/882330961.db2.gz IKHUMEBBSMSPQI-SFHVURJKSA-N 0 0 384.386 3.514 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2ccnc2)c1 ZINC000173456880 882362958 /nfs/dbraw/zinc/36/29/58/882362958.db2.gz IPILUWJHGBYWKR-RDJZCZTQSA-N 0 0 381.505 3.979 10 0 GHAERN CC1(C)C[C@@H](NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2O1 ZINC000122010761 882377137 /nfs/dbraw/zinc/37/71/37/882377137.db2.gz VVQAFGWKCDNSOW-CTNGQTDRSA-N 0 0 398.478 3.618 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187001952 870245090 /nfs/dbraw/zinc/24/50/90/870245090.db2.gz TUNKIJANJSFXBU-XCLFUZPHSA-N 0 0 391.418 3.995 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)C[C@H](C)O1 ZINC000188529479 870274041 /nfs/dbraw/zinc/27/40/41/870274041.db2.gz AHDKDERAUGGSDV-LJISPDSOSA-N 0 0 385.430 3.546 10 0 GHAERN CCc1ccc(-n2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c3c2CCC3)cc1 ZINC000107592678 870628977 /nfs/dbraw/zinc/62/89/77/870628977.db2.gz WDZIRNJREYFLIO-HXUWFJFHSA-N 0 0 389.503 3.634 10 0 GHAERN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCC(Nc5cccnn5)CC4)cc3c2C1 ZINC000109639043 870647916 /nfs/dbraw/zinc/64/79/16/870647916.db2.gz WVKZOKZQVKNFAX-HNNXBMFYSA-N 0 0 389.503 3.799 10 0 GHAERN C[C@@H](CCOc1ccccc1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000174309398 882475549 /nfs/dbraw/zinc/47/55/49/882475549.db2.gz WVHRHAPGUVQRSL-KRWDZBQOSA-N 0 0 386.517 3.528 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1F ZINC000174569676 882482326 /nfs/dbraw/zinc/48/23/26/882482326.db2.gz GNLLJXPHEGIIRG-OAHLLOKOSA-N 0 0 386.471 3.567 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Nc3ccccc3F)CC2)n(-c2ccccn2)n1 ZINC000174698580 882493214 /nfs/dbraw/zinc/49/32/14/882493214.db2.gz KWZSRNGWFCSMJG-UHFFFAOYSA-N 0 0 394.454 3.823 10 0 GHAERN C[C@H](NC(=O)c1cc2cc(F)ccc2oc1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174756771 882501023 /nfs/dbraw/zinc/50/10/23/882501023.db2.gz LTIMXPMEZFXGKZ-JTQLQIEISA-N 0 0 397.337 3.612 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c(C)c1 ZINC000175340552 882543373 /nfs/dbraw/zinc/54/33/73/882543373.db2.gz XKGVVDPOTMMNLK-UHFFFAOYSA-N 0 0 398.482 3.992 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccccc1COc1ccccc1 ZINC000103444389 872000010 /nfs/dbraw/zinc/00/00/10/872000010.db2.gz DNUHIHIBURENCE-UHFFFAOYSA-N 0 0 384.476 3.910 10 0 GHAERN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N(C)c2ccc(C)cc2)cc1OC ZINC000101526992 872066540 /nfs/dbraw/zinc/06/65/40/872066540.db2.gz JDSZKXSTGRIMQE-GDBMZVCRSA-N 0 0 382.460 3.883 10 0 GHAERN C[C@@H]1C[C@@H]1[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000175460256 882583212 /nfs/dbraw/zinc/58/32/12/882583212.db2.gz ZBFCVAWCCOQXTJ-JEBQAFNWSA-N 0 0 396.882 3.512 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)Cc1cccs1 ZINC000175755987 882623065 /nfs/dbraw/zinc/62/30/65/882623065.db2.gz JWGWQYWWWWMQGJ-JKSUJKDBSA-N 0 0 383.521 3.559 10 0 GHAERN CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175787799 882626473 /nfs/dbraw/zinc/62/64/73/882626473.db2.gz LXMUUTGWTKAKLO-NRFANRHFSA-N 0 0 386.536 3.794 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)nc21 ZINC000176216542 882646953 /nfs/dbraw/zinc/64/69/53/882646953.db2.gz SGNRCHLNDSRTCV-KRWDZBQOSA-N 0 0 377.444 3.896 10 0 GHAERN C[C@H](NC(=O)N(C)CCC1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176077726 882664704 /nfs/dbraw/zinc/66/47/04/882664704.db2.gz QZMVQBAOZFEDEL-AWEZNQCLSA-N 0 0 384.517 3.902 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)/C=C/c3nc4ccccc4s3)C2)c1 ZINC000102383304 872987023 /nfs/dbraw/zinc/98/70/23/872987023.db2.gz IYWJUVSAEQLVQM-ZNFPLGDCSA-N 0 0 393.512 3.961 10 0 GHAERN COc1ccccc1CC1CCN(Cn2nc(C)c3ccccc3c2=O)CC1 ZINC000102393364 872994648 /nfs/dbraw/zinc/99/46/48/872994648.db2.gz RUSYOPBPZFHXAT-UHFFFAOYSA-N 0 0 377.488 3.626 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3c3nccs3)CC2)nc1 ZINC000176398538 882688774 /nfs/dbraw/zinc/68/87/74/882688774.db2.gz FTSGNJJEBISADE-KRWDZBQOSA-N 0 0 385.537 3.752 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)cc2)n1 ZINC000115730525 873157633 /nfs/dbraw/zinc/15/76/33/873157633.db2.gz IEWHPRGZGSGKPL-GOSISDBHSA-N 0 0 390.468 3.894 10 0 GHAERN O=C(NCCCc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000017298201 873296885 /nfs/dbraw/zinc/29/68/85/873296885.db2.gz JUFMHOQMWCGJKM-UHFFFAOYSA-N 0 0 384.907 3.941 10 0 GHAERN Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cnn1C ZINC000102744391 873526441 /nfs/dbraw/zinc/52/64/41/873526441.db2.gz XEZHKUYOQXVHBS-RYUDHWBXSA-N 0 0 396.413 3.613 10 0 GHAERN CCc1nc2cc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)ccc2o1 ZINC000116569862 873567538 /nfs/dbraw/zinc/56/75/38/873567538.db2.gz RSBVWMZHLXIPEX-MAUKXSAKSA-N 0 0 393.491 3.817 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)CCn3cccn3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102763354 873568712 /nfs/dbraw/zinc/56/87/12/873568712.db2.gz GGNBNCAHAJJHFG-OKILXGFUSA-N 0 0 396.413 3.544 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)NC3CCN(c4cccc(C)n4)CC3)cs2)o1 ZINC000116670520 873614395 /nfs/dbraw/zinc/61/43/95/873614395.db2.gz AGHPZTRIUYGDGA-UHFFFAOYSA-N 0 0 396.516 3.743 10 0 GHAERN COc1ccccc1C[C@@H](C)CC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670398 873614774 /nfs/dbraw/zinc/61/47/74/873614774.db2.gz KMGMQZGYTPHFNC-QGZVFWFLSA-N 0 0 381.520 3.753 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3c(F)cccc3Br)CC2)nc1 ZINC000176863410 882745588 /nfs/dbraw/zinc/74/55/88/882745588.db2.gz XHQVPUCLZFDDJZ-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN c1ncn(C2CCN([C@@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)n1 ZINC000177163340 882768138 /nfs/dbraw/zinc/76/81/38/882768138.db2.gz KVLBPFCVFRIZMO-HXUWFJFHSA-N 0 0 386.459 3.755 10 0 GHAERN CC(C)Oc1nn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(=S)s1 ZINC000102921118 873881092 /nfs/dbraw/zinc/88/10/92/873881092.db2.gz DGUJTIZWINJFHC-CYBMUJFWSA-N 0 0 379.507 3.985 10 0 GHAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000177255069 882777131 /nfs/dbraw/zinc/77/71/31/882777131.db2.gz BOQDYJPWNOUPRE-UHFFFAOYSA-N 0 0 379.460 3.718 10 0 GHAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000177264083 882779687 /nfs/dbraw/zinc/77/96/87/882779687.db2.gz KRLNYUNYMVZAPS-UHFFFAOYSA-N 0 0 385.489 3.780 10 0 GHAERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000177383395 882790574 /nfs/dbraw/zinc/79/05/74/882790574.db2.gz JNOOTUQECVWGII-AUPSIVQCSA-N 0 0 399.560 3.750 10 0 GHAERN O=C(Nc1cccc(CC(F)(F)F)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177509705 882808165 /nfs/dbraw/zinc/80/81/65/882808165.db2.gz UPQWGTPLNPVGKM-CYBMUJFWSA-N 0 0 397.422 3.593 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177804119 882827904 /nfs/dbraw/zinc/82/79/04/882827904.db2.gz FAIPLUIOYLHPKV-CYBMUJFWSA-N 0 0 392.937 3.955 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)NC[C@@H](O)Cc2ccccc2)on1 ZINC000104916079 874849317 /nfs/dbraw/zinc/84/93/17/874849317.db2.gz PUJDIXKNCMLDOK-KRWDZBQOSA-N 0 0 382.485 3.609 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccc(O)cc2)CC2CC2)CC1 ZINC000178179829 882871627 /nfs/dbraw/zinc/87/16/27/882871627.db2.gz GSWXTBXVGMWMHS-UHFFFAOYSA-N 0 0 398.528 3.745 10 0 GHAERN CCC(CC)c1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000020612668 875035854 /nfs/dbraw/zinc/03/58/54/875035854.db2.gz JQFUYDXCCBBEKE-UHFFFAOYSA-N 0 0 392.550 3.994 10 0 GHAERN O=C(NCCc1cc2ccccc2[nH]1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178497946 882897814 /nfs/dbraw/zinc/89/78/14/882897814.db2.gz ZEUFXINMWKOFGZ-UHFFFAOYSA-N 0 0 393.462 3.518 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC(OCC2CCCC2)CC1 ZINC000119350208 875132260 /nfs/dbraw/zinc/13/22/60/875132260.db2.gz UXSYZKAOADIVML-CQSZACIVSA-N 0 0 399.457 3.731 10 0 GHAERN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178715373 882915427 /nfs/dbraw/zinc/91/54/27/882915427.db2.gz MHNPAKNYLQBYMT-QUCCMNQESA-N 0 0 386.879 3.713 10 0 GHAERN Cc1nc(Cl)ccc1COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179115685 882972119 /nfs/dbraw/zinc/97/21/19/882972119.db2.gz VIRPRBAMKFHVQR-UHFFFAOYSA-N 0 0 390.842 3.778 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)CCO2)o1 ZINC000179180057 882976127 /nfs/dbraw/zinc/97/61/27/882976127.db2.gz ITHGUBZPACSPAI-SESVDKBCSA-N 0 0 384.476 3.839 10 0 GHAERN Cc1cc(C(=O)N2CCC(n3cncn3)CC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000120396742 875971633 /nfs/dbraw/zinc/97/16/33/875971633.db2.gz ZKSFIKBMDQXNGY-KRWDZBQOSA-N 0 0 377.492 3.783 10 0 GHAERN COCCn1nc(C)c(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1C ZINC000179595380 883011351 /nfs/dbraw/zinc/01/13/51/883011351.db2.gz VKSRXBMPLUYJPA-KBXCAEBGSA-N 0 0 386.496 3.565 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccnc3C(F)(F)F)C2)c1 ZINC000179927730 883039467 /nfs/dbraw/zinc/03/94/67/883039467.db2.gz NZUYPVQZARSBFO-GFCCVEGCSA-N 0 0 380.366 3.747 10 0 GHAERN Cc1c(C=CC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000121343813 876947945 /nfs/dbraw/zinc/94/79/45/876947945.db2.gz VCJZJIDZCKCEKL-VYENPZKTSA-N 0 0 375.476 3.538 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)ccc1OC(F)F ZINC000121464060 877097037 /nfs/dbraw/zinc/09/70/37/877097037.db2.gz OAFZPONKWYGJQQ-DODUIYEKSA-N 0 0 381.419 3.727 10 0 GHAERN C[C@H]1N(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCC12CCOCC2 ZINC000368814225 877625667 /nfs/dbraw/zinc/62/56/67/877625667.db2.gz PTFMWNYIXSDLIC-MLGOLLRUSA-N 0 0 394.924 3.561 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000122939940 879743208 /nfs/dbraw/zinc/74/32/08/879743208.db2.gz NASKNLZTSOYSQO-HOTGVXAUSA-N 0 0 375.490 3.559 10 0 GHAERN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103517577 881265171 /nfs/dbraw/zinc/26/51/71/881265171.db2.gz WEJQDWOANXNNKM-UHFFFAOYSA-N 0 0 389.418 3.762 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c2ccccc2)[nH]1 ZINC000181116290 883124043 /nfs/dbraw/zinc/12/40/43/883124043.db2.gz ZRCPPSJKSYVICR-HNNXBMFYSA-N 0 0 397.389 3.838 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccn3Cc3cccs3)CC2)nc1 ZINC000181197143 883126809 /nfs/dbraw/zinc/12/68/09/883126809.db2.gz WBSNTBORRQEGOR-UHFFFAOYSA-N 0 0 381.501 3.985 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000181454811 883153994 /nfs/dbraw/zinc/15/39/94/883153994.db2.gz UWEUENCUYRMROL-JTHBVZDNSA-N 0 0 391.515 3.868 10 0 GHAERN Cc1cc(C)c(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(Cl)n1 ZINC000181740251 883177261 /nfs/dbraw/zinc/17/72/61/883177261.db2.gz VBGXNOPYIBVDCH-UHFFFAOYSA-N 0 0 386.883 3.778 10 0 GHAERN CSCCCCCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000181802709 883185715 /nfs/dbraw/zinc/18/57/15/883185715.db2.gz TUHRSOJJPMBBPK-UHFFFAOYSA-N 0 0 380.529 3.718 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181930897 883193717 /nfs/dbraw/zinc/19/37/17/883193717.db2.gz ABHMRMQPKWWGBB-VXKWHMMOSA-N 0 0 389.499 3.538 10 0 GHAERN CCC(CC)[C@H]1C[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000183470546 883267527 /nfs/dbraw/zinc/26/75/27/883267527.db2.gz ZQOGSLSOVMZTSC-QZTJIDSGSA-N 0 0 392.565 3.700 10 0 GHAERN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000183999085 883295994 /nfs/dbraw/zinc/29/59/94/883295994.db2.gz SFBVTYLKGUUPEN-UHFFFAOYSA-N 0 0 394.450 3.974 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)Cc2cccs2)c2ccc(F)cc2C1 ZINC000184010273 883296519 /nfs/dbraw/zinc/29/65/19/883296519.db2.gz KMXZYIZDLFJHCH-BFUOFWGJSA-N 0 0 389.496 3.611 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000184030763 883301413 /nfs/dbraw/zinc/30/14/13/883301413.db2.gz ZSRKMQFLAHZNBO-OAQYLSRUSA-N 0 0 383.467 3.735 10 0 GHAERN Cc1sc2nc([C@H](C)N3CCCN(c4ccccn4)CC3)nc(N)c2c1C ZINC000183871933 883306211 /nfs/dbraw/zinc/30/62/11/883306211.db2.gz XNYMKYYMEVPVPL-AWEZNQCLSA-N 0 0 382.537 3.559 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000184859854 883387335 /nfs/dbraw/zinc/38/73/35/883387335.db2.gz GQDAWWBOTFHPIU-GDBMZVCRSA-N 0 0 387.505 3.906 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000184859838 883387751 /nfs/dbraw/zinc/38/77/51/883387751.db2.gz GQDAWWBOTFHPIU-GOEBONIOSA-N 0 0 387.505 3.906 10 0 GHAERN COc1cc(C)ccc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185239103 883427736 /nfs/dbraw/zinc/42/77/36/883427736.db2.gz QHCZGRMHCDKPLU-SFHVURJKSA-N 0 0 385.439 3.758 10 0 GHAERN CCSCC[C@@H](C)N(C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185248467 883429691 /nfs/dbraw/zinc/42/96/91/883429691.db2.gz ZAQXUBZHZGEAIG-KUHUBIRLSA-N 0 0 395.544 3.792 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2cccc(F)c2F)c2ccc(F)cc2C1 ZINC000185512333 883548795 /nfs/dbraw/zinc/54/87/95/883548795.db2.gz JAYRYTUGICTOOE-LJQANCHMSA-N 0 0 390.405 3.646 10 0 GHAERN COc1ccc([C@H](C)CC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185514202 883548883 /nfs/dbraw/zinc/54/88/83/883548883.db2.gz JXNVYTKZTMHAFO-QRQCRPRQSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccc(F)cc2C1 ZINC000185518559 883550366 /nfs/dbraw/zinc/55/03/66/883550366.db2.gz CJMOCKRAWWSHID-QFIPXVFZSA-N 0 0 391.446 3.840 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc3ncccc3c2)c2ccc(F)cc2C1 ZINC000185536755 883551556 /nfs/dbraw/zinc/55/15/56/883551556.db2.gz HNKSBEWNODKHNN-NRFANRHFSA-N 0 0 377.419 3.597 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000185548712 883553730 /nfs/dbraw/zinc/55/37/30/883553730.db2.gz WBUDQKJUERNEBO-SFHVURJKSA-N 0 0 386.492 3.989 10 0 GHAERN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559110 883556734 /nfs/dbraw/zinc/55/67/34/883556734.db2.gz CEYAVNORIIIAPT-FGZHOGPDSA-N 0 0 398.478 3.901 10 0 GHAERN COC(=O)COc1ccccc1[C@@H](C)NCc1ncc(-c2ccccc2)cn1 ZINC000186052855 883607756 /nfs/dbraw/zinc/60/77/56/883607756.db2.gz JOVUWFGXBUNXKC-MRXNPFEDSA-N 0 0 377.444 3.546 10 0 GHAERN O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186417642 883643093 /nfs/dbraw/zinc/64/30/93/883643093.db2.gz KEEZIPLZWBFOHB-UHFFFAOYSA-N 0 0 396.491 3.621 10 0 GHAERN O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186433021 883644375 /nfs/dbraw/zinc/64/43/75/883644375.db2.gz UQJLFQSQMXDKBB-UHFFFAOYSA-N 0 0 396.491 3.626 10 0 GHAERN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186382519 883652531 /nfs/dbraw/zinc/65/25/31/883652531.db2.gz OBOJBXMVDLZGFF-UHFFFAOYSA-N 0 0 382.464 3.697 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)n1 ZINC000186778215 883701917 /nfs/dbraw/zinc/70/19/17/883701917.db2.gz LOHSQFHZSLWCNO-UHFFFAOYSA-N 0 0 375.281 3.524 10 0 GHAERN Cc1oc2ccc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)cc2c1C ZINC000186797985 883703236 /nfs/dbraw/zinc/70/32/36/883703236.db2.gz DSEMVGXZTQBUGF-UHFFFAOYSA-N 0 0 377.444 3.936 10 0 GHAERN CN(CC1(c2ccccc2)CC1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000186772657 883711212 /nfs/dbraw/zinc/71/12/12/883711212.db2.gz WFUXRLYBHFKEDA-UHFFFAOYSA-N 0 0 394.490 3.868 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000187505249 883796843 /nfs/dbraw/zinc/79/68/43/883796843.db2.gz JKMPPTGMGRQVNK-IBGZPJMESA-N 0 0 397.494 3.900 10 0 GHAERN CC[C@@H](C)Oc1cc(CNC(=O)N2CCC(Nc3nccs3)CC2)ccn1 ZINC000187771570 883807195 /nfs/dbraw/zinc/80/71/95/883807195.db2.gz PUYQIZZCBUTLSA-CQSZACIVSA-N 0 0 389.525 3.502 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)OCCO3)cs1 ZINC000188111909 883825728 /nfs/dbraw/zinc/82/57/28/883825728.db2.gz ASZWUOVACXRCRK-INIZCTEOSA-N 0 0 386.473 3.549 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000188108284 883826143 /nfs/dbraw/zinc/82/61/43/883826143.db2.gz LCGAFWLPVXCQSB-UHFFFAOYSA-N 0 0 380.400 3.879 10 0 GHAERN CCCCCc1nnc(NC(=O)N2CCC(Nc3nccs3)CC2)s1 ZINC000188390772 883839420 /nfs/dbraw/zinc/83/94/20/883839420.db2.gz UMBXMBSNLVAJIM-UHFFFAOYSA-N 0 0 380.543 3.836 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3cccc(CCC(F)(F)F)c3)CC2)n[nH]1 ZINC000188408947 883847569 /nfs/dbraw/zinc/84/75/69/883847569.db2.gz KYNUIKZKQVBMKX-UHFFFAOYSA-N 0 0 381.402 3.567 10 0 GHAERN CC(C)[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1nc(C2CC2)no1 ZINC000188497659 883854808 /nfs/dbraw/zinc/85/48/08/883854808.db2.gz RQKDZGKOXOHNBT-SFHVURJKSA-N 0 0 396.491 3.922 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000189106678 883919968 /nfs/dbraw/zinc/91/99/68/883919968.db2.gz HZVNXGZJJISAFP-UHFFFAOYSA-N 0 0 388.471 3.571 10 0 GHAERN Fc1ccc(CN2CCC[C@H](N[C@H](c3ncc[nH]3)c3ccncc3)C2)c(Cl)c1 ZINC000189120218 883921398 /nfs/dbraw/zinc/92/13/98/883921398.db2.gz NPWVXEJSRWKJCB-ICSRJNTNSA-N 0 0 399.901 3.941 10 0 GHAERN COCCc1ccccc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000189418466 883953409 /nfs/dbraw/zinc/95/34/09/883953409.db2.gz LUNLHZYYKNQAPS-NRFANRHFSA-N 0 0 399.466 3.630 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(COC(C)C)c2)cs1 ZINC000189440396 883955153 /nfs/dbraw/zinc/95/51/53/883955153.db2.gz VPDRRVXFRVVZSD-SFHVURJKSA-N 0 0 387.505 3.679 10 0 GHAERN Cc1ccc(-n2cc(NC(=O)N3CCC(Cc4nccn4C)CC3)cn2)c(C)c1 ZINC000189678784 883984973 /nfs/dbraw/zinc/98/49/73/883984973.db2.gz REEXGAFICQWELK-UHFFFAOYSA-N 0 0 392.507 3.709 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189793433 883995054 /nfs/dbraw/zinc/99/50/54/883995054.db2.gz CGGUYNOMPFTXDX-LPHOPBHVSA-N 0 0 390.483 3.990 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1nnc2ccccn21 ZINC000189898916 884006580 /nfs/dbraw/zinc/00/65/80/884006580.db2.gz ATOACWRSKOOLBV-UONOGXRCSA-N 0 0 385.418 3.658 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N3CC4(CCOCC4)c4ccccc43)CC2)nc1 ZINC000189806773 884012260 /nfs/dbraw/zinc/01/22/60/884012260.db2.gz BIBCNROFKDUHRR-UHFFFAOYSA-N 0 0 391.515 3.701 10 0 GHAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189815527 884013940 /nfs/dbraw/zinc/01/39/40/884013940.db2.gz HIZPPJWTEWPBQJ-UHFFFAOYSA-N 0 0 399.512 3.579 10 0 GHAERN O=C(c1ccnc(OCC(F)(F)F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189830402 884014483 /nfs/dbraw/zinc/01/44/83/884014483.db2.gz FLMMGTUDHBHGKZ-UHFFFAOYSA-N 0 0 392.377 3.731 10 0 GHAERN O=C(c1cccc(Oc2cnccn2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189830213 884014597 /nfs/dbraw/zinc/01/45/97/884014597.db2.gz GUWVUCVPULNKDY-UHFFFAOYSA-N 0 0 387.439 3.978 10 0 GHAERN Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CCOc4c(C)cccc43)cn2)n1 ZINC000190047426 884045501 /nfs/dbraw/zinc/04/55/01/884045501.db2.gz UXWFNYKNPWOGAF-IBGZPJMESA-N 0 0 391.475 3.516 10 0 GHAERN CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190371801 884072734 /nfs/dbraw/zinc/07/27/34/884072734.db2.gz YBILFMSOADQRBU-UHFFFAOYSA-N 0 0 386.521 3.844 10 0 GHAERN COc1ccc(/C=C(\C)C(=O)N2CCC(Nc3nccs3)CC2)cc1F ZINC000190437712 884082077 /nfs/dbraw/zinc/08/20/77/884082077.db2.gz PQKMAMMJXZBAMH-ACCUITESSA-N 0 0 375.469 3.797 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1c(F)cccc1F)C1CC1 ZINC000190514373 884096073 /nfs/dbraw/zinc/09/60/73/884096073.db2.gz SSRMSGNMPWFMSE-HNNXBMFYSA-N 0 0 385.414 3.765 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000191005179 884145145 /nfs/dbraw/zinc/14/51/45/884145145.db2.gz IVBNZZARJWIGSY-QAPCUYQASA-N 0 0 392.459 3.853 10 0 GHAERN COc1ccc(F)c(C(=O)N2CCC(Nc3ccccc3F)CC2)c1OC ZINC000191874332 884224670 /nfs/dbraw/zinc/22/46/70/884224670.db2.gz HAJYGAAIKNKRCA-UHFFFAOYSA-N 0 0 376.403 3.699 10 0 GHAERN CCOC(=O)c1csc([C@H]2CCCN2C(=O)[C@@]2(C)CC2(Cl)Cl)n1 ZINC000192357621 884252792 /nfs/dbraw/zinc/25/27/92/884252792.db2.gz ZDNCYCQZEGMQBY-QMTHXVAHSA-N 0 0 377.293 3.567 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc21 ZINC000162695782 884282427 /nfs/dbraw/zinc/28/24/27/884282427.db2.gz SFRPQURJRAIOAJ-FOIQADDNSA-N 0 0 384.501 3.595 10 0 GHAERN COc1cccc2c1CCN(C(=O)c1ccc(CNC(=O)C=C(C)C)cc1)CC2 ZINC000193219336 884332768 /nfs/dbraw/zinc/33/27/68/884332768.db2.gz RBFOAQVZMJPYOL-UHFFFAOYSA-N 0 0 392.499 3.519 10 0 GHAERN CCc1cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)n[nH]1 ZINC000102785119 884454277 /nfs/dbraw/zinc/45/42/77/884454277.db2.gz SYZPZIWKLIBPJL-GOSISDBHSA-N 0 0 393.447 3.503 10 0 GHAERN Cc1ccc(CN(C)C(=O)NCc2ccc(Cn3ccccc3=O)cc2)s1 ZINC000102806671 884469464 /nfs/dbraw/zinc/46/94/64/884469464.db2.gz IEIOCHSKNBAJOP-UHFFFAOYSA-N 0 0 381.501 3.608 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)NC(=O)C1CCCCC1 ZINC000102914974 884632713 /nfs/dbraw/zinc/63/27/13/884632713.db2.gz KOIUDKJXHBFBMA-QAPCUYQASA-N 0 0 386.492 3.554 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000102953532 884654874 /nfs/dbraw/zinc/65/48/74/884654874.db2.gz QKFKJXNHURTQFJ-SJLPKXTDSA-N 0 0 379.460 3.941 10 0 GHAERN CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000105627691 884790687 /nfs/dbraw/zinc/79/06/87/884790687.db2.gz ZUBHVZLFGRUQDJ-UHFFFAOYSA-N 0 0 382.460 3.779 10 0 GHAERN COCCOc1ccc(C(F)(F)F)cc1NCc1nc(-c2ccoc2)no1 ZINC000105606512 884821611 /nfs/dbraw/zinc/82/16/11/884821611.db2.gz WDNOPDVCYNPAEL-UHFFFAOYSA-N 0 0 383.326 3.986 10 0 GHAERN 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891299718 /nfs/dbraw/zinc/29/97/18/891299718.db2.gz NHIBVWKTQRRAMI-BHIYHBOVSA-N 0 0 385.508 3.602 10 0 GHAERN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246735620 891302397 /nfs/dbraw/zinc/30/23/97/891302397.db2.gz UOKUFTKCTASEKC-RMVXJAJNSA-N 0 0 384.476 3.797 10 0 GHAERN O=C(CN1CCC[C@@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000247228678 891357553 /nfs/dbraw/zinc/35/75/53/891357553.db2.gz UAOURYMABHKVFS-AEFFLSMTSA-N 0 0 398.557 3.685 10 0 GHAERN C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000247471339 891379372 /nfs/dbraw/zinc/37/93/72/891379372.db2.gz RSEUNAFBCKXHKG-DFQSSKMNSA-N 0 0 397.519 3.757 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777122 891395601 /nfs/dbraw/zinc/39/56/01/891395601.db2.gz WZBMDYBIDMGRMS-QZTJIDSGSA-N 0 0 391.537 3.977 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@@H](c2ccccc2)c2ccccn2)c1 ZINC000247901765 891397980 /nfs/dbraw/zinc/39/79/80/891397980.db2.gz GCMAFYALVRTBOJ-QHCPKHFHSA-N 0 0 376.456 3.937 10 0 GHAERN C[C@@H]1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@H](c2ccco2)C1 ZINC000248071573 891409413 /nfs/dbraw/zinc/40/94/13/891409413.db2.gz QNZFFLBBJRPHJA-RLLQIKCJSA-N 0 0 395.503 3.811 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000248166807 891414279 /nfs/dbraw/zinc/41/42/79/891414279.db2.gz RVDOMWONPBTVQR-UHFFFAOYSA-N 0 0 384.520 3.599 10 0 GHAERN CN(Cc1nnc(C2CC2)n1C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248386377 891422059 /nfs/dbraw/zinc/42/20/59/891422059.db2.gz MJEGFUPNADKFMX-SJLPKXTDSA-N 0 0 393.318 3.887 10 0 GHAERN Cn1c(CN2CCC[C@H]2C[C@@H](O)c2ccco2)nnc1-c1ccc(Cl)cc1 ZINC000248668683 891455896 /nfs/dbraw/zinc/45/58/96/891455896.db2.gz ALAIIKFUZGKLEC-DLBZAZTESA-N 0 0 386.883 3.817 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000248812548 891471858 /nfs/dbraw/zinc/47/18/58/891471858.db2.gz KOZBFQPWABCEQX-TYCQWZJGSA-N 0 0 396.535 3.589 10 0 GHAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000248865189 891475842 /nfs/dbraw/zinc/47/58/42/891475842.db2.gz AVOQPHMQFICQDA-JJXUHFIVSA-N 0 0 391.508 3.878 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)Nc2ccccc2CCOC)[C@H]1Oc1ccccc1 ZINC000248891208 891480078 /nfs/dbraw/zinc/48/00/78/891480078.db2.gz YYTRCWWFMUHLJU-PWRODBHTSA-N 0 0 384.476 3.622 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253554941 891879913 /nfs/dbraw/zinc/87/99/13/891879913.db2.gz WRAZLMIXQKGFNU-RYQLBKOJSA-N 0 0 391.471 3.675 10 0 GHAERN COCCNC(=O)c1ccc(Cl)c(NC(=O)CSc2ccccc2C)c1 ZINC000102728598 898025251 /nfs/dbraw/zinc/02/52/51/898025251.db2.gz QWJFEOWDUUOCNW-UHFFFAOYSA-N 0 0 392.908 3.755 10 0 GHAERN Cc1ccc(CN(C)C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)o1 ZINC000102889757 898045993 /nfs/dbraw/zinc/04/59/93/898045993.db2.gz YDRIVWBNTJSTML-UHFFFAOYSA-N 0 0 379.460 3.717 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000104341995 898141313 /nfs/dbraw/zinc/14/13/13/898141313.db2.gz WJEJVTKDVINBBU-FQEVSTJZSA-N 0 0 392.499 3.746 10 0 GHAERN C[C@@H]1CN(c2ccc(CNC(=O)N(Cc3ccco3)C3CCCC3)cn2)CCO1 ZINC000105115840 898190412 /nfs/dbraw/zinc/19/04/12/898190412.db2.gz MULCAZUWRRJLKJ-QGZVFWFLSA-N 0 0 398.507 3.554 10 0 GHAERN Cn1c2ccccc2nc1[C@H]1CCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000333068442 899936538 /nfs/dbraw/zinc/93/65/38/899936538.db2.gz OJUDHCGWUBRAJM-QGZVFWFLSA-N 0 0 395.532 3.684 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333087691 899950075 /nfs/dbraw/zinc/95/00/75/899950075.db2.gz AGUZYIVFKHQWDJ-WXHSDQCUSA-N 0 0 394.484 3.860 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCOC3(CCSCC3)C2)C12CCCC2 ZINC000333093375 899953980 /nfs/dbraw/zinc/95/39/80/899953980.db2.gz ZZUPJRPKCZPBBQ-OKZBNKHCSA-N 0 0 396.597 3.810 10 0 GHAERN C[S@@](=O)c1ccc(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000333317079 902001839 /nfs/dbraw/zinc/00/18/39/902001839.db2.gz WGXSZQDEHDZJKQ-XHCCPWGMSA-N 0 0 383.513 3.919 10 0 GHAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)N[C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000334015847 902503240 /nfs/dbraw/zinc/50/32/40/902503240.db2.gz YTOGDPSQLOYFBQ-JEBQAFNWSA-N 0 0 384.480 3.563 10 0 GHAERN O=C(N[C@H]1CCCn2ncnc21)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000177312791 906099512 /nfs/dbraw/zinc/09/95/12/906099512.db2.gz IHCRHRIGFISLDQ-LSDHHAIUSA-N 0 0 380.279 3.967 10 0 GHAERN O=C(c1csc(-c2c(F)cccc2F)n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181391842 906989660 /nfs/dbraw/zinc/98/96/60/906989660.db2.gz OJFGIAMSGNYXTI-CYBMUJFWSA-N 0 0 375.404 3.574 10 0 GHAERN CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183079782 907324192 /nfs/dbraw/zinc/32/41/92/907324192.db2.gz KBIBSVWCDAPVMC-CYBMUJFWSA-N 0 0 394.273 3.725 10 0 GHAERN Cc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(Br)c1 ZINC000185877409 907846572 /nfs/dbraw/zinc/84/65/72/907846572.db2.gz SKSXFEMXUGHOTB-OAHLLOKOSA-N 0 0 377.286 3.562 10 0 GHAERN CCS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187140549 908046874 /nfs/dbraw/zinc/04/68/74/908046874.db2.gz XDVNVLOECQMAQW-SFHVURJKSA-N 0 0 392.546 3.541 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000188107652 908178746 /nfs/dbraw/zinc/17/87/46/908178746.db2.gz UDBJXBBTXCXPJS-INIZCTEOSA-N 0 0 376.453 3.926 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(CN3CCOC3=O)cc2)cs1 ZINC000188657586 908237167 /nfs/dbraw/zinc/23/71/67/908237167.db2.gz ARGVWJWZPRDJSL-KRWDZBQOSA-N 0 0 386.477 3.773 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N3CCC[C@H]3c3csc(C)n3)cc21 ZINC000189009700 908271448 /nfs/dbraw/zinc/27/14/48/908271448.db2.gz FJCJOXUDOAZZQB-KRWDZBQOSA-N 0 0 399.520 3.913 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000189093741 908282506 /nfs/dbraw/zinc/28/25/06/908282506.db2.gz JXGUTCWFAMKMIS-GOEBONIOSA-N 0 0 395.912 3.892 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)cs1 ZINC000190008583 908400909 /nfs/dbraw/zinc/40/09/09/908400909.db2.gz ZKDSHTDSVWTZCY-IRXDYDNUSA-N 0 0 388.514 3.836 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000190114225 908429607 /nfs/dbraw/zinc/42/96/07/908429607.db2.gz ZPSQFFSSDRYIKD-YJBOKZPZSA-N 0 0 378.432 3.624 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1 ZINC000190125354 908432708 /nfs/dbraw/zinc/43/27/08/908432708.db2.gz LXLLDECZZFTZON-IAGOWNOFSA-N 0 0 397.435 3.644 10 0 GHAERN C[C@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cnc2ccccc2c1 ZINC000103805987 911067519 /nfs/dbraw/zinc/06/75/19/911067519.db2.gz ATTXBFMSULGDFP-LBPRGKRZSA-N 0 0 379.807 3.782 10 0 GHAERN O=C(c1cccc(OC(F)F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000360263184 916031684 /nfs/dbraw/zinc/03/16/84/916031684.db2.gz ZAVVOERGOPHGHK-UHFFFAOYSA-N 0 0 380.435 3.543 10 0 GHAERN C[C@H](NC(=O)N1CCCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1 ZINC000363104233 917777815 /nfs/dbraw/zinc/77/78/15/917777815.db2.gz JGGVUCHNMPFPGZ-AWEZNQCLSA-N 0 0 375.856 3.552 10 0 GHAERN O=C(c1cc2cc(Cl)ccn2n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000375102586 927916627 /nfs/dbraw/zinc/91/66/27/927916627.db2.gz UZKUCMPDHCIHAB-UHFFFAOYSA-N 0 0 379.851 3.884 10 0 GHAERN Cc1ccccc1C1=CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000375219848 928053099 /nfs/dbraw/zinc/05/30/99/928053099.db2.gz SQYNXYVKUNPBIE-FQEVSTJZSA-N 0 0 381.497 3.572 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(CC(C)C)CC(C)C)c2ccc(F)cc2C1 ZINC000185253674 1014577299 /nfs/dbraw/zinc/57/72/99/1014577299.db2.gz ADYCWGJRYSGHRY-HXUWFJFHSA-N 0 0 377.504 3.943 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2(c3cccc(F)c3)CC2)c2ccc(F)cc2C1 ZINC000185255586 1014577432 /nfs/dbraw/zinc/57/74/32/1014577432.db2.gz FIROINIPTPDSNP-FQEVSTJZSA-N 0 0 399.441 3.747 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)/C=C(\C)c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185528073 1014585577 /nfs/dbraw/zinc/58/55/77/1014585577.db2.gz NDUZYFXFFIXSFX-KVDXNUTJSA-N 0 0 384.426 3.978 10 0 GHAERN CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ncccc2C(F)(F)F)n1C ZINC000328638939 206236869 /nfs/dbraw/zinc/23/68/69/206236869.db2.gz PGFJCRZLYCKCMA-INIZCTEOSA-N 0 0 380.414 3.526 10 0 GHAERN Nc1ncc(Br)c(Cl)c1C(=O)NCc1ccc(Cl)cc1 ZINC000261507938 206288190 /nfs/dbraw/zinc/28/81/90/206288190.db2.gz NZZFLEBXIRLHMY-UHFFFAOYSA-N 0 0 375.053 3.663 10 0 GHAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C(N)=O ZINC000001924637 206394375 /nfs/dbraw/zinc/39/43/75/206394375.db2.gz KVALJGPTYARXQJ-JXMROGBWSA-N 0 0 389.249 3.599 10 0 GHAERN CCCOc1ccccc1/C=c1/sc2nc(-c3ccccc3Cl)nn2c1=O ZINC000002367136 206413136 /nfs/dbraw/zinc/41/31/36/206413136.db2.gz IRAOCZPTBMTRKB-SFQUDFHCSA-N 0 0 397.887 3.808 10 0 GHAERN CCC(=O)N(C)[C@@H](c1nnnn1-c1c(C)cccc1C)c1ccccc1Cl ZINC000004568306 206529958 /nfs/dbraw/zinc/52/99/58/206529958.db2.gz MMZWSFNYCGTFBE-LJQANCHMSA-N 0 0 383.883 3.890 10 0 aggregator GHAERN O=C(Nc1ccnn1C1CCN(C(=O)C2=CCCC2)CC1)Nc1cccc(F)c1 ZINC000011838507 206836852 /nfs/dbraw/zinc/83/68/52/206836852.db2.gz FSNBWHXZKSJDSU-UHFFFAOYSA-N 0 0 397.454 3.940 10 0 GHAERN O=C(NCc1nccc2ccccc21)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000012516873 206905759 /nfs/dbraw/zinc/90/57/59/206905759.db2.gz ZRKFYTUYVMZYGS-HNNXBMFYSA-N 0 0 379.847 3.558 10 0 GHAERN Nc1ccc2c(c1)N(S(=O)(=O)c1cc(Cl)sc1Cl)CCS2 ZINC000038051297 207263805 /nfs/dbraw/zinc/26/38/05/207263805.db2.gz VJTCGEPDMLIQHL-UHFFFAOYSA-N 0 0 381.331 3.938 10 0 GHAERN COc1ccc([C@H](C)NC(=O)c2c(C)noc2-c2ccc3c(c2)OCO3)cc1 ZINC000023315905 207273029 /nfs/dbraw/zinc/27/30/29/207273029.db2.gz XFEFAONMCONPHX-LBPRGKRZSA-N 0 0 380.400 3.878 10 0 GHAERN COc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1OC ZINC000026521435 207315255 /nfs/dbraw/zinc/31/52/55/207315255.db2.gz ZTFCEPNHZIATMX-SFHVURJKSA-N 0 0 390.867 3.750 10 0 GHAERN COC(=O)c1ccccc1N(C)c1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040800332 207611509 /nfs/dbraw/zinc/61/15/09/207611509.db2.gz XLPJCFQJBZIUDA-UHFFFAOYSA-N 0 0 385.374 3.635 10 0 GHAERN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 ZINC000095074593 208151916 /nfs/dbraw/zinc/15/19/16/208151916.db2.gz DEFALHQXBOMUPD-GFCCVEGCSA-N 0 0 375.300 3.615 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(C[S@@](=O)Cc2cnc(Cl)s2)CC1 ZINC000095084437 208153168 /nfs/dbraw/zinc/15/31/68/208153168.db2.gz IMFOMHXBLUEYSL-QHCPKHFHSA-N 0 0 378.947 3.692 10 0 GHAERN CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cc(Br)c(Br)s1 ZINC000095081966 208153259 /nfs/dbraw/zinc/15/32/59/208153259.db2.gz XCVWUUPXBWGBHF-JGVFFNPUSA-N 0 0 397.132 3.913 10 0 GHAERN Cc1ccccc1[C@H](C)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O ZINC000039570337 209093028 /nfs/dbraw/zinc/09/30/28/209093028.db2.gz XIPRCQSXQSTNLW-RJNZEALMSA-N 0 0 399.535 3.699 10 0 GHAERN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1nc2ccccc2nc1NC1CC1 ZINC000095090883 136177715 /nfs/dbraw/zinc/17/77/15/136177715.db2.gz NTUGXAXCTFMCOG-AWEZNQCLSA-N 0 0 383.496 3.650 10 0 GHAERN O=C(NCCc1csc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1)C1CCC1 ZINC000065173585 222106349 /nfs/dbraw/zinc/10/63/49/222106349.db2.gz HXZVXMRTZMCBPI-GOSISDBHSA-N 0 0 397.544 3.622 10 0 GHAERN CCCNC(=O)CCc1nc2onc(-c3ccccc3)c2c(N2CCCCC2)n1 ZINC000065056181 535051858 /nfs/dbraw/zinc/05/18/58/535051858.db2.gz SXHBNKSQCFZXPX-UHFFFAOYSA-N 0 0 393.491 3.734 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095091788 535571416 /nfs/dbraw/zinc/57/14/16/535571416.db2.gz PIESZXNGBYUILI-OAHLLOKOSA-N 0 0 386.496 3.770 10 0 GHAERN O=C([O-])c1c(C[NH2+]C[C@@H]2CCCO2)c2ccccc2n1Cc1ccccc1F ZINC000006803279 570605784 /nfs/dbraw/zinc/60/57/84/570605784.db2.gz MGUCJCNCPQPVIS-INIZCTEOSA-N 0 0 382.435 3.796 10 0 GHAERN CCc1nsc(N2CCC3(C[C@H]3N(Cc3ccsc3)C(C)=O)CC2)n1 ZINC000275809290 570700025 /nfs/dbraw/zinc/70/00/25/570700025.db2.gz TZTDKBXCNLERDR-OAHLLOKOSA-N 0 0 376.551 3.570 10 0 GHAERN COCCn1cc2c3c1cccc3CN(C(=O)c1ccc(OC)cc1C)CC2 ZINC000065148742 570710748 /nfs/dbraw/zinc/71/07/48/570710748.db2.gz PCPNOBWTBDAOLO-UHFFFAOYSA-N 0 0 378.472 3.803 10 0 GHAERN Cc1ccc(CNC(=O)[C@H]2CN(C(=O)c3ccccc3)CC23CCCCC3)o1 ZINC000065266066 570769311 /nfs/dbraw/zinc/76/93/11/570769311.db2.gz BIVWQJPGARGYTK-HXUWFJFHSA-N 0 0 380.488 3.927 10 0 GHAERN Fc1cccc2[nH]c(CN3CCCC[C@@H]3c3nnc(C4CCOCC4)o3)nc21 ZINC000583621736 570801770 /nfs/dbraw/zinc/80/17/70/570801770.db2.gz DNRPGGJXGABCLC-MRXNPFEDSA-N 0 0 385.443 3.706 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000097086945 570890503 /nfs/dbraw/zinc/89/05/03/570890503.db2.gz JHZXWHOBAMMXBB-SZMVWBNQSA-N 0 0 381.501 3.662 10 0 GHAERN Cc1cccc(CNS(=O)(=O)c2c[nH]c(-c3nnc(-c4ccccc4)o3)c2)c1 ZINC000046914438 570936997 /nfs/dbraw/zinc/93/69/97/570936997.db2.gz MGDRWTVSNPUWCU-UHFFFAOYSA-N 0 0 394.456 3.519 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000329243270 834607315 /nfs/dbraw/zinc/60/73/15/834607315.db2.gz STWLTODDCCLKES-CVEARBPZSA-N 0 0 393.512 3.779 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000157775201 835086817 /nfs/dbraw/zinc/08/68/17/835086817.db2.gz IPMKZDZIRVQSIB-UHFFFAOYSA-N 0 0 377.410 3.737 10 0 GHAERN C[C@@H](NC(=O)C1C[C@@H](C)O[C@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000246912281 835138011 /nfs/dbraw/zinc/13/80/11/835138011.db2.gz URWKCXTVSCKTJX-IJLUTSLNSA-N 0 0 398.297 3.601 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)CC1 ZINC000158276140 835292360 /nfs/dbraw/zinc/29/23/60/835292360.db2.gz MJCAEQIQDVFCIV-UHFFFAOYSA-N 0 0 382.386 3.647 10 0 GHAERN Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-c3ncon3)c2)no1 ZINC000101525796 835303486 /nfs/dbraw/zinc/30/34/86/835303486.db2.gz NJJHJFHDBMBYSE-UHFFFAOYSA-N 0 0 393.428 3.973 10 0 GHAERN Cc1cc(Br)cc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000187493418 835425861 /nfs/dbraw/zinc/42/58/61/835425861.db2.gz WQLSGIYPRRQTRN-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccn(CCC(C)C)n3)CC2)n1 ZINC000187590085 835489506 /nfs/dbraw/zinc/48/95/06/835489506.db2.gz IKFLQLGKEXASNW-UHFFFAOYSA-N 0 0 399.543 3.505 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3csc(CNC(=O)c4ccccc4)n3)CCO2)o1 ZINC000158915718 835650970 /nfs/dbraw/zinc/65/09/70/835650970.db2.gz IUPZEMUTTZLCKM-LJQANCHMSA-N 0 0 397.500 3.548 10 0 GHAERN O=C([C@H]1C[C@H]1c1cc(F)ccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000158968181 835665713 /nfs/dbraw/zinc/66/57/13/835665713.db2.gz IBAXVNPMLDCAAB-HKUYNNGSSA-N 0 0 390.474 3.710 10 0 GHAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000101976897 835753836 /nfs/dbraw/zinc/75/38/36/835753836.db2.gz UASWFYQHZKKCSX-FXAWDEMLSA-N 0 0 383.492 3.563 10 0 GHAERN Clc1ccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)no2)cc1 ZINC000329742206 835847599 /nfs/dbraw/zinc/84/75/99/835847599.db2.gz WJHASCPNXZLCCU-PBHICJAKSA-N 0 0 386.839 3.971 10 0 GHAERN O=C([C@@H]1CCCN1c1ncnc2sccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000245995957 835852417 /nfs/dbraw/zinc/85/24/17/835852417.db2.gz BHYUWQFKPXOFPK-HIFRSBDPSA-N 0 0 399.545 3.523 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cn1 ZINC000329000283 844105687 /nfs/dbraw/zinc/10/56/87/844105687.db2.gz VOSOPZOUXXAFPJ-MRXNPFEDSA-N 0 0 395.484 3.897 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCc2nc(C(C)(C)C)cs2)C1 ZINC000152922545 836412782 /nfs/dbraw/zinc/41/27/82/836412782.db2.gz YUTCMPSLJVKUPV-OAHLLOKOSA-N 0 0 389.569 3.789 10 0 GHAERN CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)no1 ZINC000332903775 836964540 /nfs/dbraw/zinc/96/45/40/836964540.db2.gz ZDKZLVQUCQGSIU-JLSDUUJJSA-N 0 0 384.480 3.915 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000333202314 844248385 /nfs/dbraw/zinc/24/83/85/844248385.db2.gz ROZOELKBLIUQIK-FGTMMUONSA-N 0 0 378.538 3.959 10 0 GHAERN Cc1cccc(OC(F)F)c1NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000103079528 837261540 /nfs/dbraw/zinc/26/15/40/837261540.db2.gz IANWGECUVFKMTA-GFCCVEGCSA-N 0 0 396.340 3.866 10 0 GHAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000114009425 838111672 /nfs/dbraw/zinc/11/16/72/838111672.db2.gz KYWRAWRXSWHWNE-KRWDZBQOSA-N 0 0 379.526 3.514 10 0 GHAERN Cc1c(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408062853 838501792 /nfs/dbraw/zinc/50/17/92/838501792.db2.gz OVWDUQIXIYJHMD-RDJZCZTQSA-N 0 0 384.451 3.565 10 0 GHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc(Cl)c1Br ZINC000408005255 838525056 /nfs/dbraw/zinc/52/50/56/838525056.db2.gz SOSABLHOAFGYQU-GFCCVEGCSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330185846 838641737 /nfs/dbraw/zinc/64/17/37/838641737.db2.gz JJRZXVKZIFJRNN-AUUYWEPGSA-N 0 0 375.856 3.576 10 0 GHAERN Cc1nnnn1-c1ccc(F)c(NC(=O)c2csc(-c3ccsc3)n2)c1 ZINC000108170741 838926947 /nfs/dbraw/zinc/92/69/47/838926947.db2.gz LNPTVPNVDIAOJA-UHFFFAOYSA-N 0 0 386.437 3.547 10 0 GHAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000588383703 839877646 /nfs/dbraw/zinc/87/76/46/839877646.db2.gz RQVPDNOYXQOSDR-DLBZAZTESA-N 0 0 389.503 3.627 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)N1CCc2c(ncn2CCc2ccccc2)C1 ZINC000588385057 839960786 /nfs/dbraw/zinc/96/07/86/839960786.db2.gz OPRIEJVGHRXFIY-SREVYHEPSA-N 0 0 392.890 3.772 10 0 GHAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119117857 840044317 /nfs/dbraw/zinc/04/43/17/840044317.db2.gz NRMQLBUQBFMGSB-JTSKRJEESA-N 0 0 399.466 3.850 10 0 GHAERN O=C(Nc1cccc2[nH]cnc21)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000118726609 840547902 /nfs/dbraw/zinc/54/79/02/840547902.db2.gz SIOTXFKIIBUJFI-VYBOSXCSSA-N 0 0 392.503 3.709 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000109997362 840592528 /nfs/dbraw/zinc/59/25/28/840592528.db2.gz DQUYRORZPXHBED-GFCCVEGCSA-N 0 0 385.518 3.818 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@@H](C)c3cc4ccccc4o3)C2)nn1 ZINC000332889859 844611318 /nfs/dbraw/zinc/61/13/18/844611318.db2.gz DCJMRWBMHSEINX-FUHWJXTLSA-N 0 0 393.491 3.903 10 0 GHAERN COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@@H](C)C4)ncn3)CC2)cc1 ZINC000301242491 841154814 /nfs/dbraw/zinc/15/48/14/841154814.db2.gz MZTHPPCRNWLLDR-QGZVFWFLSA-N 0 0 394.519 3.821 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](c3ccc(C)cc3)C3CC3)C2)n1 ZINC000332910100 844623865 /nfs/dbraw/zinc/62/38/65/844623865.db2.gz XWTIIXCALDPBAU-GHTZIAJQSA-N 0 0 381.524 3.776 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)c2ccccc21 ZINC000246500498 841760829 /nfs/dbraw/zinc/76/08/29/841760829.db2.gz HOSMZOPLBJZHGC-VSDWSMLSSA-N 0 0 378.516 3.939 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1ccccc1C(F)(F)F ZINC000330337304 841976058 /nfs/dbraw/zinc/97/60/58/841976058.db2.gz ZVAIECSLSIEKCS-UKRRQHHQSA-N 0 0 391.393 3.574 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)sc1Cl ZINC000408296985 842145943 /nfs/dbraw/zinc/14/59/43/842145943.db2.gz FFFZUKMYPWPLSB-NSHDSACASA-N 0 0 387.914 3.539 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000025722596 842232756 /nfs/dbraw/zinc/23/27/56/842232756.db2.gz MTFWHPZPUHAQLT-UHFFFAOYSA-N 0 0 380.416 3.840 10 0 GHAERN C[C@H]1CC(C(=O)N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000094149249 842427383 /nfs/dbraw/zinc/42/73/83/842427383.db2.gz JNJNFHUZSQEYCW-STQMWFEESA-N 0 0 396.890 3.860 10 0 GHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@H]1CCCn2cc(C)nc21 ZINC000328851246 842627390 /nfs/dbraw/zinc/62/73/90/842627390.db2.gz WQPYAKJUQQYJMK-JKSUJKDBSA-N 0 0 380.496 3.523 10 0 GHAERN Cn1cnnc1[C@H]1CCCN1C(=O)Nc1ncccc1OCC1CCCCC1 ZINC000163131269 842966744 /nfs/dbraw/zinc/96/67/44/842966744.db2.gz IRJJPZSVSOSTNO-MRXNPFEDSA-N 0 0 384.484 3.538 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162490945 843264841 /nfs/dbraw/zinc/26/48/41/843264841.db2.gz VYIUWAHYXGEYGM-VBKZILBWSA-N 0 0 390.491 3.837 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000588451327 843299548 /nfs/dbraw/zinc/29/95/48/843299548.db2.gz KBBNINJYQWLCOJ-KHPPLWFESA-N 0 0 399.516 3.525 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000588454708 843338266 /nfs/dbraw/zinc/33/82/66/843338266.db2.gz SQXQJDCTVYZRSO-FPLPWBNLSA-N 0 0 389.421 3.766 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000112307263 843352018 /nfs/dbraw/zinc/35/20/18/843352018.db2.gz IDUXTFBICMWTHQ-DLBZAZTESA-N 0 0 388.920 3.880 10 0 GHAERN CC1(C)CCCC[C@@H]1CC(=O)Nc1cccc2c1CCN(S(C)(=O)=O)C2 ZINC000121676709 843482244 /nfs/dbraw/zinc/48/22/44/843482244.db2.gz FYMAJBAUCWYQBS-MRXNPFEDSA-N 0 0 378.538 3.549 10 0 GHAERN Cc1nc(-c2ccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2)cc(=O)[nH]1 ZINC000329437148 861423488 /nfs/dbraw/zinc/42/34/88/861423488.db2.gz JHDNYKBXGLNGQM-SFHVURJKSA-N 0 0 378.436 3.640 10 0 GHAERN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]2CCC[C@H]21 ZINC000330297323 843563917 /nfs/dbraw/zinc/56/39/17/843563917.db2.gz GULOIIGWYANLPX-AUUYWEPGSA-N 0 0 388.464 3.641 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C[C@H](C)O1 ZINC000408257144 843620093 /nfs/dbraw/zinc/62/00/93/843620093.db2.gz QRFQDVONKQXOPF-AHXJXLJNSA-N 0 0 384.879 3.766 10 0 GHAERN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330316472 843668376 /nfs/dbraw/zinc/66/83/76/843668376.db2.gz PYQQUPNDBUDGSH-OCCSQVGLSA-N 0 0 385.514 3.588 10 0 GHAERN O=C(/C=C\c1ccccc1Cl)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000588477152 844708052 /nfs/dbraw/zinc/70/80/52/844708052.db2.gz FTNLBAOUMKUWMK-MQNTZWLQSA-N 0 0 381.925 3.702 10 0 GHAERN Cc1oc2nc(CN3CCC[C@@H]3c3nc4cc(C)ccc4[nH]3)nc(N)c2c1C ZINC000333432487 845246584 /nfs/dbraw/zinc/24/65/84/845246584.db2.gz NUIVYGRQYDPLMY-MRXNPFEDSA-N 0 0 376.464 3.944 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000151747889 845639344 /nfs/dbraw/zinc/63/93/44/845639344.db2.gz CPKFKQFPCANOBE-YJBOKZPZSA-N 0 0 393.487 3.997 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(NC(=O)c4ccco4)c3)CCO2)o1 ZINC000151820651 845823666 /nfs/dbraw/zinc/82/36/66/845823666.db2.gz KLNZBYBWUYXUDK-LJQANCHMSA-N 0 0 380.400 3.647 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cc1 ZINC000151889629 845953837 /nfs/dbraw/zinc/95/38/37/845953837.db2.gz LGZYEFCVIZLFJC-OCCSQVGLSA-N 0 0 382.386 3.864 10 0 GHAERN CC(C)C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152302597 846650968 /nfs/dbraw/zinc/65/09/68/846650968.db2.gz LLOVGRRARUQQTN-GDBMZVCRSA-N 0 0 384.517 3.900 10 0 GHAERN C[C@@H](CCCC(F)(F)F)OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588510092 846770008 /nfs/dbraw/zinc/77/00/08/846770008.db2.gz TTWMFXJJXUEHEN-UMAGTOLTSA-N 0 0 379.400 3.736 10 0 GHAERN CC(=O)Nc1cc(C(=O)Nc2cccc(-c3ncon3)c2)cc(C(F)(F)F)c1 ZINC000152498207 847195818 /nfs/dbraw/zinc/19/58/18/847195818.db2.gz WUIYCODVVVLVHE-UHFFFAOYSA-N 0 0 390.321 3.966 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1nn(CC(C)C)cc1C(F)F ZINC000119895944 847419052 /nfs/dbraw/zinc/41/90/52/847419052.db2.gz OPZZOEPLDBTZIP-OAHLLOKOSA-N 0 0 379.455 3.804 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3c(C)cccc3C(=O)N3CCCC3)CCO2)o1 ZINC000153295343 848349971 /nfs/dbraw/zinc/34/99/71/848349971.db2.gz CYZXRAIHIDFUET-IBGZPJMESA-N 0 0 397.475 3.738 10 0 GHAERN COc1cc(/C=C(\C(=O)N2CC[C@H](C)[C@H](OC)C2)c2ccccc2)ccc1O ZINC000588552205 848487549 /nfs/dbraw/zinc/48/75/49/848487549.db2.gz JYKCAZABPKYTBH-QSBQYUSVSA-N 0 0 381.472 3.825 10 0 GHAERN C[C@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000153500365 848567339 /nfs/dbraw/zinc/56/73/39/848567339.db2.gz XOIFMMJVXRYYSO-KRWDZBQOSA-N 0 0 391.475 3.581 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(C(=O)NC(C)(C)C)c3)CCO2)o1 ZINC000153539090 848622676 /nfs/dbraw/zinc/62/26/76/848622676.db2.gz OSSZXUZPCRBNCT-SFHVURJKSA-N 0 0 385.464 3.722 10 0 GHAERN Cc1nc(COc2ccccc2/C=C/C(=O)N2CC[C@]3(CCOC3)C2)cs1 ZINC000153589948 848697826 /nfs/dbraw/zinc/69/78/26/848697826.db2.gz SMKKMKOLGKHBFI-BXKJMJEDSA-N 0 0 384.501 3.683 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)CCO2)o1 ZINC000153587112 848704423 /nfs/dbraw/zinc/70/44/23/848704423.db2.gz XMSHPTAHNWTVIW-HXUWFJFHSA-N 0 0 397.475 3.820 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000153727468 848957428 /nfs/dbraw/zinc/95/74/28/848957428.db2.gz ILBZWRGMZVSZGD-TZIWHRDSSA-N 0 0 396.535 3.552 10 0 GHAERN CC1(C)CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)CCS1 ZINC000408269615 849100317 /nfs/dbraw/zinc/10/03/17/849100317.db2.gz DJSYSGWIORCTEZ-SFHVURJKSA-N 0 0 398.528 3.591 10 0 GHAERN O=c1cc(N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)nc2ccccn12 ZINC000154420917 849293989 /nfs/dbraw/zinc/29/39/89/849293989.db2.gz NJVSBUMGEVFCCT-LLVKDONJSA-N 0 0 380.395 3.554 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)C1 ZINC000329679090 862011070 /nfs/dbraw/zinc/01/10/70/862011070.db2.gz VVCBDPHPJFBMIU-JCGIZDLHSA-N 0 0 391.581 3.751 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155812942 849657290 /nfs/dbraw/zinc/65/72/90/849657290.db2.gz KJOOXFASRBZQHT-CVEARBPZSA-N 0 0 393.553 3.527 10 0 GHAERN O=C(NCc1cccc(-c2ccccn2)c1)c1cccc(CN2CCCC2=O)c1 ZINC000155850774 849678242 /nfs/dbraw/zinc/67/82/42/849678242.db2.gz MSLGSNPWMQFGNS-UHFFFAOYSA-N 0 0 385.467 3.801 10 0 GHAERN CC(C)[C@H]1OCCC[C@@H]1Nc1nccc(N2CCC(c3nccs3)CC2)n1 ZINC000329692206 862093983 /nfs/dbraw/zinc/09/39/83/862093983.db2.gz GUIMHDXGDBSKLX-FUHWJXTLSA-N 0 0 387.553 3.933 10 0 GHAERN Cc1ccc(F)c(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c1 ZINC000333786551 851118604 /nfs/dbraw/zinc/11/86/04/851118604.db2.gz VMXGRAZMEXPJBB-MWTRTKDXSA-N 0 0 397.494 3.576 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cc(Br)c(C)[nH]c3=O)CC2)n1 ZINC000164218304 851263121 /nfs/dbraw/zinc/26/31/21/851263121.db2.gz ZDHBKZGCXQJQLM-UHFFFAOYSA-N 0 0 396.310 3.643 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)no1 ZINC000170885589 851585616 /nfs/dbraw/zinc/58/56/16/851585616.db2.gz YEKRLKFVRKTQJL-DOTOQJQBSA-N 0 0 382.508 3.982 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000101738906 851859170 /nfs/dbraw/zinc/85/91/70/851859170.db2.gz INKJPFIZHJYQBT-CYBMUJFWSA-N 0 0 383.439 3.693 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000101765312 851876090 /nfs/dbraw/zinc/87/60/90/851876090.db2.gz IBTRQWHJBUCIQJ-UONOGXRCSA-N 0 0 381.467 3.608 10 0 GHAERN Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000333871647 851883978 /nfs/dbraw/zinc/88/39/78/851883978.db2.gz UQQMIRQDEKPSGN-QKPAOTATSA-N 0 0 390.281 3.639 10 0 GHAERN CCOCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 ZINC000101851408 851937371 /nfs/dbraw/zinc/93/73/71/851937371.db2.gz WJAXZIJGOIVOPW-WDSOQIARSA-N 0 0 392.927 3.656 10 0 GHAERN COc1ccc(OCCC(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 ZINC000101880419 851974454 /nfs/dbraw/zinc/97/44/54/851974454.db2.gz LVXUUFZLXCESKP-UHFFFAOYSA-N 0 0 378.432 3.765 10 0 GHAERN Cc1ccc(CN(CCc2ccccc2)C(=O)NCCc2nc(C)no2)s1 ZINC000102035264 852102807 /nfs/dbraw/zinc/10/28/07/852102807.db2.gz ABQVMGNCMQGBNS-UHFFFAOYSA-N 0 0 384.505 3.745 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000329843815 862368240 /nfs/dbraw/zinc/36/82/40/862368240.db2.gz XNASETKVJCZXRR-TYPHKJRUSA-N 0 0 394.519 3.795 10 0 GHAERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333944389 853250788 /nfs/dbraw/zinc/25/07/88/853250788.db2.gz RXFDMOGMDNNAPL-ULYRPOKDSA-N 0 0 387.499 3.585 10 0 GHAERN CC(C)[C@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000333963641 853279896 /nfs/dbraw/zinc/27/98/96/853279896.db2.gz ODCHXUOPGKWRBZ-IEBWSBKVSA-N 0 0 390.549 3.905 10 0 GHAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC12CCCC2 ZINC000333967207 853284576 /nfs/dbraw/zinc/28/45/76/853284576.db2.gz RSYMMUBOZZWHRG-AEFFLSMTSA-N 0 0 376.522 3.515 10 0 GHAERN CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC=C(c3cccs3)CC2)cn1 ZINC000164772212 853812914 /nfs/dbraw/zinc/81/29/14/853812914.db2.gz FAIOUUWLJZFXCI-UHFFFAOYSA-N 0 0 388.493 3.564 10 0 GHAERN Cc1c(C(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)oc2c1C(=O)CCC2 ZINC000171787939 853902291 /nfs/dbraw/zinc/90/22/91/853902291.db2.gz PSUGXEYMGLNHJK-UHFFFAOYSA-N 0 0 393.443 3.519 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328736055 854520850 /nfs/dbraw/zinc/52/08/50/854520850.db2.gz ZJCAMLIAQODBBW-YQYRJILISA-N 0 0 395.478 3.845 10 0 GHAERN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330113666 862583426 /nfs/dbraw/zinc/58/34/26/862583426.db2.gz DDYGECOSHHRZGA-OWCLPIDISA-N 0 0 393.516 3.870 10 0 GHAERN O=C(C[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000328907359 854617513 /nfs/dbraw/zinc/61/75/13/854617513.db2.gz LLSNCXFIULOAHW-AABGKKOBSA-N 0 0 378.520 3.904 10 0 GHAERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000124598700 854631117 /nfs/dbraw/zinc/63/11/17/854631117.db2.gz IKHCZENTLYCBDW-LDBYXDLTSA-N 0 0 392.471 3.542 10 0 GHAERN Cn1cc([C@H]2CN(C(=O)c3ccc(OC4CCCCC4)cc3)C[C@@H]2C(N)=O)cn1 ZINC000328959313 854633608 /nfs/dbraw/zinc/63/36/08/854633608.db2.gz KAZBVZRHAGLFJZ-UXHICEINSA-N 0 0 396.491 3.523 10 0 GHAERN O=S(=O)(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)COC2 ZINC000330122923 862594481 /nfs/dbraw/zinc/59/44/81/862594481.db2.gz BYSHXCFPRPZZLX-IBGZPJMESA-N 0 0 385.485 3.832 10 0 GHAERN C[C@H](NC(=O)NCC(C)(C)C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125655234 854735132 /nfs/dbraw/zinc/73/51/32/854735132.db2.gz VPNHTGPXTSCPRK-ZDUSSCGKSA-N 0 0 384.517 3.806 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCC[C@H]1c1nccs1)C2 ZINC000332934974 854927043 /nfs/dbraw/zinc/92/70/43/854927043.db2.gz HVQCIHUMLZOZQI-CABCVRRESA-N 0 0 387.553 3.889 10 0 GHAERN CC(C)[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330168058 862630619 /nfs/dbraw/zinc/63/06/19/862630619.db2.gz ZQBLMQKMKHDHLY-CROMWVBPSA-N 0 0 395.503 3.678 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NCCc3ccc4c(c3)CCO4)C2)n1 ZINC000172077182 855204613 /nfs/dbraw/zinc/20/46/13/855204613.db2.gz CEEXKBNOWULMDB-QGZVFWFLSA-N 0 0 385.533 3.772 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H](C)[C@H]1c1cccc(F)c1)CC2 ZINC000181744906 855592734 /nfs/dbraw/zinc/59/27/34/855592734.db2.gz UEDXHXNELLZDBN-YJLNNSPDSA-N 0 0 385.487 3.648 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000104914935 856447511 /nfs/dbraw/zinc/44/75/11/856447511.db2.gz XGJOUOLWRPBIMU-NRFANRHFSA-N 0 0 380.488 3.539 10 0 GHAERN Cc1cccnc1[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)C(C)C ZINC000172381018 857345158 /nfs/dbraw/zinc/34/51/58/857345158.db2.gz HRQJPTRRXDWLBB-LJQANCHMSA-N 0 0 393.491 3.760 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000131373039 857734872 /nfs/dbraw/zinc/73/48/72/857734872.db2.gz COYSVGUSLPMCCI-MJGOQNOKSA-N 0 0 395.507 3.536 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000131501026 857753552 /nfs/dbraw/zinc/75/35/52/857753552.db2.gz JXHJBGZXBRRRPG-GJYPPUQNSA-N 0 0 394.462 3.664 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000184894140 859017586 /nfs/dbraw/zinc/01/75/86/859017586.db2.gz MXLDLJCOTRONMK-IEBWSBKVSA-N 0 0 384.501 3.528 10 0 GHAERN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000105380984 859820718 /nfs/dbraw/zinc/82/07/18/859820718.db2.gz WFHJGLVOIMYPFX-FXAWDEMLSA-N 0 0 380.488 3.620 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000164641734 859966033 /nfs/dbraw/zinc/96/60/33/859966033.db2.gz HOYMSPCHIRPBJI-XCLFUZPHSA-N 0 0 391.418 3.995 10 0 GHAERN COc1ccc([C@H](NC(=O)c2nc(Cl)ccc2Cl)c2nccn2C)cc1 ZINC000016473121 860164525 /nfs/dbraw/zinc/16/45/25/860164525.db2.gz YSXDCHYXSGGHQJ-HNNXBMFYSA-N 0 0 391.258 3.650 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccncc1 ZINC000022753424 860270491 /nfs/dbraw/zinc/27/04/91/860270491.db2.gz UHJHTVZHPNMTIU-FXAWDEMLSA-N 0 0 387.483 3.964 10 0 GHAERN Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)c1C ZINC000171654261 860428031 /nfs/dbraw/zinc/42/80/31/860428031.db2.gz YDAKOJNHAFBOOC-WMZOPIPTSA-N 0 0 383.517 3.867 10 0 GHAERN Cc1c(Cl)cc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1Cl ZINC000158734745 860542559 /nfs/dbraw/zinc/54/25/59/860542559.db2.gz YCAOHGSSNMRCJD-UHFFFAOYSA-N 0 0 380.279 3.836 10 0 GHAERN COc1ccc(-c2cc(C(=O)N(C)C[C@H]3CCCO3)nn2-c2ccccc2)cc1 ZINC000102897906 860618178 /nfs/dbraw/zinc/61/81/78/860618178.db2.gz BFFINXFDSZKLPV-HXUWFJFHSA-N 0 0 391.471 3.799 10 0 GHAERN COc1ccc(CNC(=O)NCCc2csc(C(C)C)n2)cc1OC(F)F ZINC000102444239 860671601 /nfs/dbraw/zinc/67/16/01/860671601.db2.gz YYJDPESJCYGHPD-UHFFFAOYSA-N 0 0 399.463 3.918 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)NCCCNC(=O)OC(C)(C)C ZINC000103573876 881574598 /nfs/dbraw/zinc/57/45/98/881574598.db2.gz UMDPMSOGGLWJQY-UHFFFAOYSA-N 0 0 386.290 3.794 10 0 GHAERN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000102905029 860842833 /nfs/dbraw/zinc/84/28/33/860842833.db2.gz NRUZMRYPQXKTOG-SFTDATJTSA-N 0 0 386.467 3.939 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000102999550 860890985 /nfs/dbraw/zinc/89/09/85/860890985.db2.gz HNQSRGZSBLLRPX-UHFFFAOYSA-N 0 0 384.432 3.993 10 0 GHAERN O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102952558 860918344 /nfs/dbraw/zinc/91/83/44/860918344.db2.gz WMAVGMUDNRUYIS-SFHVURJKSA-N 0 0 376.416 3.970 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)c1occc1CN1c2ccccc2C[C@H]1C ZINC000102987597 860932805 /nfs/dbraw/zinc/93/28/05/860932805.db2.gz KWIFXNZJQIJIKN-OAHLLOKOSA-N 0 0 392.503 3.554 10 0 GHAERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000159336568 860962008 /nfs/dbraw/zinc/96/20/08/860962008.db2.gz BYDGAJKDVHRNGK-WMZOPIPTSA-N 0 0 396.491 3.878 10 0 GHAERN COc1ccc(CCNC(=O)NCCc2c[nH]c3cccc(C)c23)cc1OC ZINC000103176101 863900562 /nfs/dbraw/zinc/90/05/62/863900562.db2.gz NWJKURDFCDOAKN-UHFFFAOYSA-N 0 0 381.476 3.578 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccnc(N4CCCCC4)c3)c21 ZINC000103179166 863902377 /nfs/dbraw/zinc/90/23/77/863902377.db2.gz XZEIMRAQSZKGJQ-UHFFFAOYSA-N 0 0 391.519 3.904 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c21 ZINC000103233900 863917087 /nfs/dbraw/zinc/91/70/87/863917087.db2.gz CENZOUFRFOSWCV-ZDUSSCGKSA-N 0 0 378.432 3.560 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@H](NC(=O)c3cccs3)C(C)C)c21 ZINC000103129582 863927043 /nfs/dbraw/zinc/92/70/43/863927043.db2.gz SGDWDZNTSASIQG-LJQANCHMSA-N 0 0 383.517 3.651 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000103273356 863937039 /nfs/dbraw/zinc/93/70/39/863937039.db2.gz PAWMBPJEJKWPBJ-ORAYPTAESA-N 0 0 388.427 3.696 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N[C@@H](c3nc(C4CC4)no3)C(C)C)c21 ZINC000103314759 863955211 /nfs/dbraw/zinc/95/52/11/863955211.db2.gz OOQSOZAYDPPMFK-GOSISDBHSA-N 0 0 381.480 3.976 10 0 GHAERN CC(=O)NCc1ccc(C(=O)Nc2nnc(CC3CCCCC3)s2)s1 ZINC000103420774 863977573 /nfs/dbraw/zinc/97/75/73/863977573.db2.gz PVEZMUVOYSNZJG-UHFFFAOYSA-N 0 0 378.523 3.611 10 0 GHAERN CC(C)N(C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000103783768 864092383 /nfs/dbraw/zinc/09/23/83/864092383.db2.gz JWJNRZPSEHNZBC-AWEZNQCLSA-N 0 0 381.444 3.959 10 0 GHAERN CCC(=O)Nc1cccc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000104121356 864155815 /nfs/dbraw/zinc/15/58/15/864155815.db2.gz MWEZIIAHVMBKAX-MRXNPFEDSA-N 0 0 383.467 3.693 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000104457405 864325164 /nfs/dbraw/zinc/32/51/64/864325164.db2.gz GUXZOIPQCMGLGW-UHFFFAOYSA-N 0 0 381.451 3.952 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC000104993107 864770958 /nfs/dbraw/zinc/77/09/58/864770958.db2.gz DGBWEEUJFUNYCA-UHFFFAOYSA-N 0 0 395.503 3.946 10 0 GHAERN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000173511898 865976273 /nfs/dbraw/zinc/97/62/73/865976273.db2.gz SOEQYMMVTXZWNC-JKSUJKDBSA-N 0 0 389.908 3.903 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151088605 866690132 /nfs/dbraw/zinc/69/01/32/866690132.db2.gz QKEVZXPCCMDXMX-ACJLOTCBSA-N 0 0 378.266 3.963 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(C2CC2)no1 ZINC000114828868 866772780 /nfs/dbraw/zinc/77/27/80/866772780.db2.gz BWJWOBYFUHTYAZ-KGLIPLIRSA-N 0 0 375.498 3.690 10 0 GHAERN Cc1csc(C2CCN(C(=O)CCc3nnc(-c4ccccc4)o3)CC2)n1 ZINC000171221764 882088373 /nfs/dbraw/zinc/08/83/73/882088373.db2.gz JXPYJRPXWYIAIK-UHFFFAOYSA-N 0 0 382.489 3.840 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171615210 882116993 /nfs/dbraw/zinc/11/69/93/882116993.db2.gz FUKWLWJHXKXDIO-IIBYNOLFSA-N 0 0 377.488 3.771 10 0 GHAERN CN1C(=O)CC[C@@H](C(=O)N2CC=C(c3cccs3)CC2)[C@H]1c1ccccc1 ZINC000172092537 882169018 /nfs/dbraw/zinc/16/90/18/882169018.db2.gz WTLOVBISOHOSDT-WIYYLYMNSA-N 0 0 380.513 3.974 10 0 GHAERN Cc1ccc2nc(CSCC(=O)Nc3cccc(-c4ncon4)c3)cn2c1 ZINC000172137056 882171847 /nfs/dbraw/zinc/17/18/47/882171847.db2.gz PKWBRZVLYBFMLZ-UHFFFAOYSA-N 0 0 379.445 3.565 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000172638400 882281060 /nfs/dbraw/zinc/28/10/60/882281060.db2.gz VHVJBZPNKAUJOY-SFHVURJKSA-N 0 0 385.483 3.578 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000172635570 882281461 /nfs/dbraw/zinc/28/14/61/882281461.db2.gz OQOYPPNXYTXWSU-IBGZPJMESA-N 0 0 393.487 3.883 10 0 GHAERN O=C(NCc1coc(-c2ccccc2)n1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172698132 882285364 /nfs/dbraw/zinc/28/53/64/882285364.db2.gz TXUOTONKDUDEGV-UHFFFAOYSA-N 0 0 395.484 3.572 10 0 GHAERN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)NCc2cccnc2-n2cncn2)cc1 ZINC000172540387 882293587 /nfs/dbraw/zinc/29/35/87/882293587.db2.gz SYZKOKBCLMMAKN-YLJYHZDGSA-N 0 0 390.491 3.654 10 0 GHAERN Cc1c(Cl)ccc2c1N(C(=O)C1CCN(C(=O)c3ccccn3)CC1)CCC2 ZINC000173077008 882320176 /nfs/dbraw/zinc/32/01/76/882320176.db2.gz IETGDIZJNQDIRK-UHFFFAOYSA-N 0 0 397.906 3.875 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@@](=O)Cc2cccc(Cl)c2)cc1 ZINC000173158572 882335664 /nfs/dbraw/zinc/33/56/64/882335664.db2.gz SOHNOTCHOWZJGP-BCHFMIIMSA-N 0 0 391.920 3.961 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@@](=O)Cc2cccc(Cl)c2)cc1 ZINC000173158565 882335826 /nfs/dbraw/zinc/33/58/26/882335826.db2.gz SOHNOTCHOWZJGP-SIBVEZHUSA-N 0 0 391.920 3.961 10 0 GHAERN Cc1csc(N(C(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)n1 ZINC000173124881 882351579 /nfs/dbraw/zinc/35/15/79/882351579.db2.gz UERRCCDPLCZANZ-UHFFFAOYSA-N 0 0 375.519 3.561 10 0 GHAERN C[C@@H](CCc1cccc(F)c1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000173364505 882355759 /nfs/dbraw/zinc/35/57/59/882355759.db2.gz BEUCHINGOXEODQ-INIZCTEOSA-N 0 0 388.508 3.831 10 0 GHAERN O=c1[nH]c(CN2CCC(Nc3ccccc3F)CC2)nc2ccc(Cl)cc12 ZINC000173535742 882376229 /nfs/dbraw/zinc/37/62/29/882376229.db2.gz HBNGTEVUWQBKTM-UHFFFAOYSA-N 0 0 386.858 3.792 10 0 GHAERN O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1cc(Br)cnc1Cl ZINC000173774761 882401926 /nfs/dbraw/zinc/40/19/26/882401926.db2.gz BBLLVDHYBZVJGN-STQMWFEESA-N 0 0 383.677 3.608 10 0 GHAERN CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccnc1-n1cncn1 ZINC000173803449 882404871 /nfs/dbraw/zinc/40/48/71/882404871.db2.gz IANPJZYIKZUFCP-HXUWFJFHSA-N 0 0 392.507 3.524 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000194538216 870520291 /nfs/dbraw/zinc/52/02/91/870520291.db2.gz JZKMOMQAMRJFOT-SJORKVTESA-N 0 0 398.532 3.548 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)CCCOc3ccc(F)cc3)C2)c1 ZINC000102383546 882416445 /nfs/dbraw/zinc/41/64/45/882416445.db2.gz XSDGLGABRGJAEU-QGZVFWFLSA-N 0 0 386.467 3.636 10 0 GHAERN Cc1ccnc(Oc2cc(NC(=O)N3CCC(n4cncn4)CC3)ccc2C)c1 ZINC000174034131 882416674 /nfs/dbraw/zinc/41/66/74/882416674.db2.gz VQZWDUSEZPHQHY-UHFFFAOYSA-N 0 0 392.463 3.951 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000174068388 882421437 /nfs/dbraw/zinc/42/14/37/882421437.db2.gz RNJGODBGDCFWTR-ROUUACIJSA-N 0 0 396.462 3.804 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000056762178 870584991 /nfs/dbraw/zinc/58/49/91/870584991.db2.gz UUWWDIVUVYQGKL-AEFFLSMTSA-N 0 0 399.457 3.804 10 0 GHAERN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114810317 870633629 /nfs/dbraw/zinc/63/36/29/870633629.db2.gz DINFQSYMRJAQFX-INIZCTEOSA-N 0 0 386.521 3.940 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174733238 882497796 /nfs/dbraw/zinc/49/77/96/882497796.db2.gz YUGLQFCEOCEFMN-YKWSONSWSA-N 0 0 394.406 3.725 10 0 GHAERN CNC(=O)c1ccc(C)c(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174844139 882531343 /nfs/dbraw/zinc/53/13/43/882531343.db2.gz UAZOSZLCKSIHPI-UHFFFAOYSA-N 0 0 384.455 3.602 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174867843 882532353 /nfs/dbraw/zinc/53/23/53/882532353.db2.gz AUCXMNNYJICSJA-YVWKXTFCSA-N 0 0 396.512 3.604 10 0 GHAERN Cc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c2cnn(C)c2n1 ZINC000175349669 882544151 /nfs/dbraw/zinc/54/41/51/882544151.db2.gz LINCHJWTIGLLQA-UHFFFAOYSA-N 0 0 378.476 3.577 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3occc3Br)C2)c1 ZINC000175399793 882550678 /nfs/dbraw/zinc/55/06/78/882550678.db2.gz NAYOGEGIJFUJHZ-NSHDSACASA-N 0 0 380.238 3.689 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)nc21 ZINC000175185594 882554905 /nfs/dbraw/zinc/55/49/05/882554905.db2.gz FFIATZLRJAMBHS-KRWDZBQOSA-N 0 0 390.487 3.681 10 0 GHAERN C/C(=C\C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1cccc(Cl)c1 ZINC000175194027 882556328 /nfs/dbraw/zinc/55/63/28/882556328.db2.gz YDJQPQHIWIPJEV-JLHYYAGUSA-N 0 0 387.867 3.917 10 0 GHAERN COCc1c(C(=O)NCCCNC(=O)OC(C)(C)C)sc2cccc(F)c21 ZINC000103444494 872000822 /nfs/dbraw/zinc/00/08/22/872000822.db2.gz PHUHPYWORDIHKF-UHFFFAOYSA-N 0 0 396.484 3.831 10 0 GHAERN CC(C)(C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1)c1ccccc1F ZINC000101532268 872067265 /nfs/dbraw/zinc/06/72/65/872067265.db2.gz TZXBTDILWMLBKJ-UHFFFAOYSA-N 0 0 384.451 3.837 10 0 GHAERN COC[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)c1ccco1 ZINC000175707498 882577928 /nfs/dbraw/zinc/57/79/28/882577928.db2.gz TWIHWTDZRCYHPI-IEBWSBKVSA-N 0 0 394.475 3.946 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175512540 882591718 /nfs/dbraw/zinc/59/17/18/882591718.db2.gz VJEWYIMUFPSORO-IPMKNSEASA-N 0 0 397.437 3.996 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@@H]3c3cccn3C)CC2)n1 ZINC000175527054 882594156 /nfs/dbraw/zinc/59/41/56/882594156.db2.gz GQEDHMKUHSGPCK-HXUWFJFHSA-N 0 0 381.524 3.634 10 0 GHAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000175869007 882608037 /nfs/dbraw/zinc/60/80/37/882608037.db2.gz FERLGLLCXRRSHO-UHFFFAOYSA-N 0 0 380.419 3.957 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)[C@H](C)OCc3ccccc3)C2)o1 ZINC000102141874 872638871 /nfs/dbraw/zinc/63/88/71/872638871.db2.gz RMJLFZNQCSMFHD-PKOBYXMFSA-N 0 0 385.460 3.589 10 0 GHAERN CCc1ccc(OCC(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102142808 872640619 /nfs/dbraw/zinc/64/06/19/872640619.db2.gz IUXDULZLWCUYIE-GOSISDBHSA-N 0 0 385.460 3.625 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000175976131 882652166 /nfs/dbraw/zinc/65/21/66/882652166.db2.gz ALHAGJFBIKXWOF-AWEZNQCLSA-N 0 0 376.453 3.660 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176084156 882665512 /nfs/dbraw/zinc/66/55/12/882665512.db2.gz FZXXPZLINVSFJP-CYBMUJFWSA-N 0 0 388.464 3.552 10 0 GHAERN CC(C)c1nc(CCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)cs1 ZINC000102377592 872984652 /nfs/dbraw/zinc/98/46/52/872984652.db2.gz PDUBXHJTWQCMQT-IUODEOHRSA-N 0 0 389.496 3.973 10 0 GHAERN CN(C(=O)c1cccc(CN2CCCC2=O)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000115148194 873048600 /nfs/dbraw/zinc/04/86/00/873048600.db2.gz ZWUMXAUIXHJANA-JOCHJYFZSA-N 0 0 391.515 3.550 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cccc1OCC(F)(F)F ZINC000176351344 882682915 /nfs/dbraw/zinc/68/29/15/882682915.db2.gz SYXLGWKHOZJFRF-CQSZACIVSA-N 0 0 382.386 3.829 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3nc4c(cccc4C)[nH]3)C2)c1 ZINC000176389318 882687495 /nfs/dbraw/zinc/68/74/95/882687495.db2.gz JBKLEEKNSCXIPG-INIZCTEOSA-N 0 0 393.487 3.837 10 0 GHAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(O[C@H](C)c2ccccc2)cc1C ZINC000102743986 873524882 /nfs/dbraw/zinc/52/48/82/873524882.db2.gz IZQZTILGVMLROT-QRWLVFNGSA-N 0 0 384.501 3.995 10 0 GHAERN CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 ZINC000176834993 882742797 /nfs/dbraw/zinc/74/27/97/882742797.db2.gz ZCAOJHACDAZOGT-KRWDZBQOSA-N 0 0 393.491 3.922 10 0 GHAERN O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000018105746 873718889 /nfs/dbraw/zinc/71/88/89/873718889.db2.gz ROSOXMYMOORWGB-UHFFFAOYSA-N 0 0 376.909 3.613 10 0 GHAERN S=c1sc(N2CCCC2)nn1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102921139 873881216 /nfs/dbraw/zinc/88/12/16/873881216.db2.gz MLRQREYJYQMSOS-AWEZNQCLSA-N 0 0 390.534 3.798 10 0 GHAERN CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H]3c4ccccc4CCC3(C)C)ccc21 ZINC000161782745 874215674 /nfs/dbraw/zinc/21/56/74/874215674.db2.gz APVJDCLNDHZDEX-OAQYLSRUSA-N 0 0 398.528 3.588 10 0 GHAERN O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177511973 882810393 /nfs/dbraw/zinc/81/03/93/882810393.db2.gz QQWPFWFERHZHPI-NSHDSACASA-N 0 0 397.472 3.803 10 0 GHAERN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177813986 882830080 /nfs/dbraw/zinc/83/00/80/882830080.db2.gz KJRMTFYQTZUWKZ-HXUWFJFHSA-N 0 0 389.459 3.832 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccc(-c2ccncc2)cc1 ZINC000177586145 882834717 /nfs/dbraw/zinc/83/47/17/882834717.db2.gz LHKUGLIXZJRLAB-UWJYYQICSA-N 0 0 375.476 3.880 10 0 GHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000177634569 882837071 /nfs/dbraw/zinc/83/70/71/882837071.db2.gz ATQHWVBTBAOIDE-OAHLLOKOSA-N 0 0 388.455 3.838 10 0 GHAERN O=C(NCCOC1CCCCCC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000118487321 874530198 /nfs/dbraw/zinc/53/01/98/874530198.db2.gz UWRVORNTGGSTQN-UHFFFAOYSA-N 0 0 393.572 3.550 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2)n1 ZINC000119056595 874860087 /nfs/dbraw/zinc/86/00/87/874860087.db2.gz AQQYROBHNUQNFV-RYUDHWBXSA-N 0 0 398.454 3.705 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178324038 882903288 /nfs/dbraw/zinc/90/32/88/882903288.db2.gz IJZQJNYSLJPZNE-UWJYYQICSA-N 0 0 382.847 3.702 10 0 GHAERN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178358159 882906821 /nfs/dbraw/zinc/90/68/21/882906821.db2.gz LCVCQMKLXDCPOW-PZJWPPBQSA-N 0 0 394.496 3.972 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)N3CC=C(c4ccccc4F)CC3)cc2NC1=O ZINC000120356880 875948892 /nfs/dbraw/zinc/94/88/92/875948892.db2.gz VKIBPCABPHBXBM-ZDUSSCGKSA-N 0 0 381.407 3.866 10 0 GHAERN O=C(NC1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1)c1ccsc1 ZINC000179480810 883001542 /nfs/dbraw/zinc/00/15/42/883001542.db2.gz CLYSQISMCDPJBJ-UHFFFAOYSA-N 0 0 395.488 3.565 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1cccc(F)c1F ZINC000179606296 883013439 /nfs/dbraw/zinc/01/34/39/883013439.db2.gz WWFJXGWLPPCVLO-UONOGXRCSA-N 0 0 385.418 3.658 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3cccc(-n4cccn4)c3)CCO2)o1 ZINC000120882810 876326663 /nfs/dbraw/zinc/32/66/63/876326663.db2.gz OJKFIGBMPLGGPG-OXQOHEQNSA-N 0 0 380.448 3.618 10 0 GHAERN O=C(Nc1cc(Cl)ccc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000120937025 876375671 /nfs/dbraw/zinc/37/56/71/876375671.db2.gz XSRVEXLWRVIRPK-UHFFFAOYSA-N 0 0 383.279 3.594 10 0 GHAERN CC[C@@H](OC1CCCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000120961969 876380927 /nfs/dbraw/zinc/38/09/27/876380927.db2.gz QEGMVOYFOUTHPM-QGZVFWFLSA-N 0 0 378.538 3.551 10 0 GHAERN O=C(N[C@H]1CCCOc2c(F)cccc21)c1cccc(CN2CCCC2=O)c1 ZINC000179876149 883034875 /nfs/dbraw/zinc/03/48/75/883034875.db2.gz YCJPRRQGILFPIU-IBGZPJMESA-N 0 0 382.435 3.592 10 0 GHAERN O=C(c1ccccc1OC(F)(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179948620 883040075 /nfs/dbraw/zinc/04/00/75/883040075.db2.gz AKXKILOYOJUXPW-UHFFFAOYSA-N 0 0 398.425 3.840 10 0 GHAERN C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000179982855 883041360 /nfs/dbraw/zinc/04/13/60/883041360.db2.gz PZCCEEARZOSFOR-NSHDSACASA-N 0 0 384.386 3.750 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121240048 876675907 /nfs/dbraw/zinc/67/59/07/876675907.db2.gz YANBUUPESKXWPW-YXBWYFRISA-N 0 0 384.842 3.835 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 ZINC000121904164 878033451 /nfs/dbraw/zinc/03/34/51/878033451.db2.gz ZFRSLTOGTRQJIB-UHFFFAOYSA-N 0 0 393.466 3.793 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000121927497 878047700 /nfs/dbraw/zinc/04/77/00/878047700.db2.gz ZECGCOACBKMKHG-UZLBHIALSA-N 0 0 380.488 3.805 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@H](NC(C)=O)c3ccccc3)C2)cc1 ZINC000121969049 878074362 /nfs/dbraw/zinc/07/43/62/878074362.db2.gz XOHRVRKWHFWILR-AQKFKSFVSA-N 0 0 380.488 3.667 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C[C@H](NC(C)=O)c3ccccc3)C2)cc1 ZINC000121968864 878075449 /nfs/dbraw/zinc/07/54/49/878075449.db2.gz XOHRVRKWHFWILR-CNDZOEFASA-N 0 0 380.488 3.667 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000122549568 879065966 /nfs/dbraw/zinc/06/59/66/879065966.db2.gz DEVYOQPOEWXHCC-BEFAXECRSA-N 0 0 381.476 3.741 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025532027 879852596 /nfs/dbraw/zinc/85/25/96/879852596.db2.gz BASRNFNAYCYKPW-IBGZPJMESA-N 0 0 395.459 3.695 10 0 GHAERN C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O ZINC000103501434 881270823 /nfs/dbraw/zinc/27/08/23/881270823.db2.gz NHFMRLMDUQQCAP-YJBOKZPZSA-N 0 0 397.233 3.633 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1cccc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000181930141 883193568 /nfs/dbraw/zinc/19/35/68/883193568.db2.gz DCOLDSJQJIJOEO-FGZHOGPDSA-N 0 0 389.499 3.538 10 0 GHAERN O=C1C[C@H](CNc2nnc(Cc3ccccc3F)s2)CN1Cc1ccccc1 ZINC000181982043 883196555 /nfs/dbraw/zinc/19/65/55/883196555.db2.gz CKGPTTDHJWMAHL-MRXNPFEDSA-N 0 0 396.491 3.729 10 0 GHAERN O=C(c1ccoc1)N1CCC(Nc2ccnn2Cc2ccc(Cl)cc2)CC1 ZINC000182065810 883202801 /nfs/dbraw/zinc/20/28/01/883202801.db2.gz QVXNZXLNDAQFLX-UHFFFAOYSA-N 0 0 384.867 3.895 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cnc21 ZINC000183562664 883270771 /nfs/dbraw/zinc/27/07/71/883270771.db2.gz OCVYBDNNEXZRNX-UHFFFAOYSA-N 0 0 377.473 3.598 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC[C@@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000184009704 883296814 /nfs/dbraw/zinc/29/68/14/883296814.db2.gz RFJFDYDCCLVPCF-HTAPYJJXSA-N 0 0 395.478 3.648 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCc2c(C)cccc2C)c2ccc(F)cc2C1 ZINC000184013388 883297809 /nfs/dbraw/zinc/29/78/09/883297809.db2.gz AOBOAXDWSZKLIG-JOCHJYFZSA-N 0 0 397.494 3.778 10 0 GHAERN COCCOc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000184535905 883355021 /nfs/dbraw/zinc/35/50/21/883355021.db2.gz RDLKBKXOWDBHFC-CYBMUJFWSA-N 0 0 380.897 3.842 10 0 GHAERN CCOc1ccccc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184833271 883384681 /nfs/dbraw/zinc/38/46/81/883384681.db2.gz KXIQNYCNSUQPAJ-SFHVURJKSA-N 0 0 385.439 3.839 10 0 GHAERN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185389212 883445483 /nfs/dbraw/zinc/44/54/83/883445483.db2.gz VBJXGWIXILBYAZ-IFXJQAMLSA-N 0 0 396.487 3.557 10 0 GHAERN CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185514793 883548818 /nfs/dbraw/zinc/54/88/18/883548818.db2.gz WOQYCIODQMLILE-RTWAWAEBSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)c2ccc(F)cc2C1 ZINC000185513609 883548890 /nfs/dbraw/zinc/54/88/90/883548890.db2.gz AERGRZIGKGKOQC-NRFANRHFSA-N 0 0 393.462 3.768 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(F)c(Cl)cc2F)c2ccc(F)cc2C1 ZINC000185546656 883553861 /nfs/dbraw/zinc/55/38/61/883553861.db2.gz MUCSRKFRJRPANO-SFHVURJKSA-N 0 0 396.796 3.981 10 0 GHAERN COc1ccccc1/C(C)=C/C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185557035 883557170 /nfs/dbraw/zinc/55/71/70/883557170.db2.gz CPGVLMBGPZMYQZ-NKSQBSFPSA-N 0 0 396.462 3.847 10 0 GHAERN COc1cc(C)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000186064337 883607809 /nfs/dbraw/zinc/60/78/09/883607809.db2.gz UUAGGQGGPKKCKZ-UHFFFAOYSA-N 0 0 388.414 3.773 10 0 GHAERN Cc1ccccc1-c1nc(C(=O)N2CCCN(c3ccccn3)CC2)cs1 ZINC000186407644 883642618 /nfs/dbraw/zinc/64/26/18/883642618.db2.gz GSPAOTYHXGTAJZ-UHFFFAOYSA-N 0 0 378.501 3.866 10 0 GHAERN CN1Cc2cc(NC(=O)NCC3(c4ccc(F)cc4F)CC3)ccc2NC1=O ZINC000186583857 883665972 /nfs/dbraw/zinc/66/59/72/883665972.db2.gz SQLMRUUNZLLOMP-UHFFFAOYSA-N 0 0 386.402 3.795 10 0 GHAERN CO[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(Cl)c1 ZINC000186619083 883675021 /nfs/dbraw/zinc/67/50/21/883675021.db2.gz QIHKZHUMTORMDJ-KRWDZBQOSA-N 0 0 388.855 3.827 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)n1 ZINC000186618940 883675376 /nfs/dbraw/zinc/67/53/76/883675376.db2.gz LCWAAKZGYIWZHM-ZDUSSCGKSA-N 0 0 385.493 3.840 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3)ccc2NC1=O ZINC000186660193 883684610 /nfs/dbraw/zinc/68/46/10/883684610.db2.gz QATAGHQAFVWKGD-MRXNPFEDSA-N 0 0 399.882 3.718 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000186842555 883722335 /nfs/dbraw/zinc/72/23/35/883722335.db2.gz GAVOWIYZXIQTAU-CYBMUJFWSA-N 0 0 376.482 3.562 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000187032656 883733043 /nfs/dbraw/zinc/73/30/43/883733043.db2.gz LIYFVNJQEWANOF-UHFFFAOYSA-N 0 0 379.555 3.683 10 0 GHAERN Cc1csc([C@@H](NC(=O)N2CCC(Nc3nccs3)CC2)C2CC2)n1 ZINC000187292452 883777070 /nfs/dbraw/zinc/77/70/70/883777070.db2.gz ALANFEAHTIUMGF-AWEZNQCLSA-N 0 0 377.539 3.645 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000187505227 883796759 /nfs/dbraw/zinc/79/67/59/883796759.db2.gz JKMPPTGMGRQVNK-LJQANCHMSA-N 0 0 397.494 3.900 10 0 GHAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000188127112 883827048 /nfs/dbraw/zinc/82/70/48/883827048.db2.gz QVRODQJRVABOPD-LLVKDONJSA-N 0 0 396.310 3.637 10 0 GHAERN Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)cc2)cs1 ZINC000188430843 883849333 /nfs/dbraw/zinc/84/93/33/883849333.db2.gz QXMBGPPJGRTMRU-CUTNJZCYSA-N 0 0 384.501 3.727 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000188423397 883849974 /nfs/dbraw/zinc/84/99/74/883849974.db2.gz ZZEJLMRMEXHMOK-CTNGQTDRSA-N 0 0 380.488 3.684 10 0 GHAERN O=S(=O)(c1ccc(F)c2ncccc12)N1CC2(CCOCC2)c2ccccc21 ZINC000189369492 883942070 /nfs/dbraw/zinc/94/20/70/883942070.db2.gz BTQUPBIQEHNMPJ-UHFFFAOYSA-N 0 0 398.459 3.631 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(CC(F)(F)F)cc2)cs1 ZINC000189438234 883954179 /nfs/dbraw/zinc/95/41/79/883954179.db2.gz JJMZSGZWCYQJRD-HNNXBMFYSA-N 0 0 397.422 3.859 10 0 GHAERN COCC(=O)N1CCc2cc(NC(=O)N3CC=C(c4ccccc4)CC3)ccc21 ZINC000189526148 883960693 /nfs/dbraw/zinc/96/06/93/883960693.db2.gz GBUIAZVTCLJZLL-UHFFFAOYSA-N 0 0 391.471 3.543 10 0 GHAERN COc1ccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)cc1Br ZINC000189580134 883964906 /nfs/dbraw/zinc/96/49/06/883964906.db2.gz JNBPAZLUEHLDJD-LBPRGKRZSA-N 0 0 379.302 3.749 10 0 GHAERN O=C(c1cccnc1N1CCCCC1)N1CC2(CCOCC2)c2ccccc21 ZINC000189784829 883994824 /nfs/dbraw/zinc/99/48/24/883994824.db2.gz HUWKTJACJIRDRV-UHFFFAOYSA-N 0 0 377.488 3.781 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)cs1 ZINC000190007926 884042388 /nfs/dbraw/zinc/04/23/88/884042388.db2.gz MNYKVLSMMPOWOB-LBPRGKRZSA-N 0 0 382.283 3.600 10 0 GHAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190240234 884060346 /nfs/dbraw/zinc/06/03/46/884060346.db2.gz IXDGGGQONSKNKG-WMZOPIPTSA-N 0 0 376.497 3.574 10 0 GHAERN COc1ccc(Cl)cc1CNC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190323349 884066694 /nfs/dbraw/zinc/06/66/94/884066694.db2.gz RPUPWAOVHAMHLB-UHFFFAOYSA-N 0 0 380.901 3.591 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190439045 884081765 /nfs/dbraw/zinc/08/17/65/884081765.db2.gz BDBSTWJOYFQXSJ-ZZXKWVIFSA-N 0 0 379.432 3.861 10 0 GHAERN CSc1cc(O)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000191166566 884142297 /nfs/dbraw/zinc/14/22/97/884142297.db2.gz ONQAURWJSAKUSD-UHFFFAOYSA-N 0 0 388.464 3.744 10 0 GHAERN Cc1cc(F)cc2c(O)c(C(=O)N3CC4(CCOCC4)c4ccccc43)cnc12 ZINC000191708992 884206367 /nfs/dbraw/zinc/20/63/67/884206367.db2.gz RKQHAXAVKUVCOJ-UHFFFAOYSA-N 0 0 392.430 3.684 10 0 GHAERN CNC(=O)c1ccc(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1 ZINC000192182360 884244547 /nfs/dbraw/zinc/24/45/47/884244547.db2.gz SWFJUNRTJMXUCY-UHFFFAOYSA-N 0 0 377.448 3.999 10 0 GHAERN CCCNc1ccc(CNC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000192586469 884283599 /nfs/dbraw/zinc/28/35/99/884283599.db2.gz IZRLVEKRUKWPLM-IBGZPJMESA-N 0 0 378.480 3.524 10 0 GHAERN CC(C)Oc1ccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000192931249 884315330 /nfs/dbraw/zinc/31/53/30/884315330.db2.gz ACWUFTHQLXWTOB-UHFFFAOYSA-N 0 0 394.471 3.507 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000193369756 884346541 /nfs/dbraw/zinc/34/65/41/884346541.db2.gz SVNYOTSCAONVMN-FUHWJXTLSA-N 0 0 391.924 3.801 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000102723172 884371007 /nfs/dbraw/zinc/37/10/07/884371007.db2.gz WWUDGIFXXWWTEE-HXUWFJFHSA-N 0 0 398.528 3.696 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3C)cc2)n1 ZINC000102841775 884508621 /nfs/dbraw/zinc/50/86/21/884508621.db2.gz ZANZVMBEROPVJZ-UHFFFAOYSA-N 0 0 389.864 3.508 10 0 GHAERN O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940972 884651693 /nfs/dbraw/zinc/65/16/93/884651693.db2.gz CCORGOWHQJSDFH-IBGZPJMESA-N 0 0 390.443 3.648 10 0 GHAERN COc1cccc2c1OC[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)C2 ZINC000102958510 884656436 /nfs/dbraw/zinc/65/64/36/884656436.db2.gz PYBDLMCTWYOFRX-FXAWDEMLSA-N 0 0 378.428 3.681 10 0 GHAERN CCN(CCCNC(=O)N[C@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000105840319 884836468 /nfs/dbraw/zinc/83/64/68/884836468.db2.gz IYWAGVZIUTZAIA-QGZVFWFLSA-N 0 0 385.508 3.981 10 0 GHAERN Cc1cc([C@H](C)NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(C)s1 ZINC000103305653 884934686 /nfs/dbraw/zinc/93/46/86/884934686.db2.gz GLHBNXFOFXFDEJ-ZDUSSCGKSA-N 0 0 397.495 3.545 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000105985918 884940462 /nfs/dbraw/zinc/94/04/62/884940462.db2.gz YJZCLBZGJNXXCA-QGZVFWFLSA-N 0 0 398.463 3.619 10 0 GHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000103975275 885206338 /nfs/dbraw/zinc/20/63/38/885206338.db2.gz PXBYBKFWNAEDBR-MRXNPFEDSA-N 0 0 395.478 3.693 10 0 GHAERN Cc1csc(CCCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000102483907 885235854 /nfs/dbraw/zinc/23/58/54/885235854.db2.gz UPOAEYUIWLXVTF-UHFFFAOYSA-N 0 0 393.512 3.597 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1)[C@H]1CCCO1 ZINC000303189092 885367690 /nfs/dbraw/zinc/36/76/90/885367690.db2.gz JNQUYURMANNBAA-IAGOWNOFSA-N 0 0 385.489 3.628 10 0 GHAERN CC(C)(CNC(=O)N1CCC(c2nnc3ccccn32)CC1)c1ccc(F)cc1 ZINC000103316099 885989984 /nfs/dbraw/zinc/98/99/84/885989984.db2.gz RJGLPHIRRDOQKF-UHFFFAOYSA-N 0 0 395.482 3.735 10 0 GHAERN Cc1nnc([C@H](NC(=O)Cc2nc(-c3ccsc3)oc2C)c2ccccc2)[nH]1 ZINC000103280341 885990088 /nfs/dbraw/zinc/99/00/88/885990088.db2.gz AEQLDPKRVDQLCK-GOSISDBHSA-N 0 0 393.472 3.586 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000105076311 886009077 /nfs/dbraw/zinc/00/90/77/886009077.db2.gz LNGDWLUXRGMWSC-INIZCTEOSA-N 0 0 389.381 3.721 10 0 GHAERN O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000105768328 886021394 /nfs/dbraw/zinc/02/13/94/886021394.db2.gz QFQBLIFPZGFOFG-CQSZACIVSA-N 0 0 394.443 3.518 10 0 GHAERN Cc1ccc2c(CN3CCCN(C(=O)c4cccs4)CC3)cc(=O)oc2c1C ZINC000112351955 886259506 /nfs/dbraw/zinc/25/95/06/886259506.db2.gz HOEWAENYWXVTLJ-UHFFFAOYSA-N 0 0 396.512 3.819 10 0 GHAERN O=C(Nc1ccc(F)cc1Cl)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112413948 886261217 /nfs/dbraw/zinc/26/12/17/886261217.db2.gz FHTQSXPPYJYJQW-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN O=C(CCOCC(F)(F)F)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217167 886287237 /nfs/dbraw/zinc/28/72/37/886287237.db2.gz YNDPACXAEYSKRV-HNNXBMFYSA-N 0 0 381.398 3.752 10 0 GHAERN CC(C)c1noc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000113219691 886289138 /nfs/dbraw/zinc/28/91/38/886289138.db2.gz SMUCOHIUEYGJMV-QGZVFWFLSA-N 0 0 393.491 3.922 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000031640396 886297120 /nfs/dbraw/zinc/29/71/20/886297120.db2.gz VYSMVHQULBOVNZ-UHFFFAOYSA-N 0 0 397.525 3.860 10 0 GHAERN CNC(=O)c1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1Cl ZINC000114810503 886326935 /nfs/dbraw/zinc/32/69/35/886326935.db2.gz ZMXUUBBNIHNDTH-NSHDSACASA-N 0 0 378.885 3.568 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000115118855 886339224 /nfs/dbraw/zinc/33/92/24/886339224.db2.gz AZYRQQLLLCASGS-HNNXBMFYSA-N 0 0 375.513 3.700 10 0 GHAERN CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1-c1ccncc1 ZINC000036775992 886479377 /nfs/dbraw/zinc/47/93/77/886479377.db2.gz LTXWJUPYBANSHH-OAHLLOKOSA-N 0 0 399.545 3.877 10 0 GHAERN CC(C)C[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CCO1 ZINC000332795920 886544931 /nfs/dbraw/zinc/54/49/31/886544931.db2.gz SMHDEBXWIJUFJO-PNYFIKQUSA-N 0 0 377.529 3.642 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N2CCC(c3ccnn3C)CC2)cc1OC ZINC000124367476 886736732 /nfs/dbraw/zinc/73/67/32/886736732.db2.gz STTMOFHNJGMUKX-SOFGYWHQSA-N 0 0 383.492 3.637 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CC[C@@H](c3ccccc3)C2)c2ccccc2F)no1 ZINC000124643808 886775960 /nfs/dbraw/zinc/77/59/60/886775960.db2.gz QLUVIIBFQMDERR-APWZRJJASA-N 0 0 380.423 3.806 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CC[C@H](c3ccccc3)C2)c2ccccc2F)no1 ZINC000124643396 886776003 /nfs/dbraw/zinc/77/60/03/886776003.db2.gz QLUVIIBFQMDERR-LPHOPBHVSA-N 0 0 380.423 3.806 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000126010814 886925182 /nfs/dbraw/zinc/92/51/82/886925182.db2.gz FJCJPDTVFMPFEK-APWZRJJASA-N 0 0 381.501 3.593 10 0 GHAERN C[C@H](NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)[C@H]1COc2ccccc21 ZINC000126825699 887008366 /nfs/dbraw/zinc/00/83/66/887008366.db2.gz QOVDUIWFXQYYSX-ZAOYMGCJSA-N 0 0 398.478 3.845 10 0 GHAERN CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1C1CC1 ZINC000127938324 887125327 /nfs/dbraw/zinc/12/53/27/887125327.db2.gz LLAGEAWLYSXFOB-XGHQBKJUSA-N 0 0 395.551 3.767 10 0 GHAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000128022752 887136262 /nfs/dbraw/zinc/13/62/62/887136262.db2.gz CPOZOPVEHZSOJT-FCEUIQTBSA-N 0 0 381.472 3.674 10 0 GHAERN C[C@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000046455830 887197056 /nfs/dbraw/zinc/19/70/56/887197056.db2.gz BUNPDVMYIZEXGL-HNNXBMFYSA-N 0 0 376.460 3.820 10 0 GHAERN COc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)sc1Br ZINC000128611593 887207915 /nfs/dbraw/zinc/20/79/15/887207915.db2.gz OURHXXFAJOFAFH-SECBINFHSA-N 0 0 387.324 3.996 10 0 GHAERN CC[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cc(F)ccc1F ZINC000129545148 887316632 /nfs/dbraw/zinc/31/66/32/887316632.db2.gz WGLAGHXBHHFEEM-SFHVURJKSA-N 0 0 376.451 3.814 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000130887004 887484533 /nfs/dbraw/zinc/48/45/33/887484533.db2.gz RJFCKTKSNYUNFQ-LJQANCHMSA-N 0 0 389.455 3.680 10 0 GHAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000132035870 887601243 /nfs/dbraw/zinc/60/12/43/887601243.db2.gz FTRJRWGHDFXJBY-CYBMUJFWSA-N 0 0 384.910 3.567 10 0 GHAERN C[C@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cccc(F)c1F ZINC000133960797 887820274 /nfs/dbraw/zinc/82/02/74/887820274.db2.gz ZVTHZXQREZNXOR-ZDUSSCGKSA-N 0 0 393.459 3.645 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)CCO2)o1 ZINC000134101490 887834926 /nfs/dbraw/zinc/83/49/26/887834926.db2.gz VWVGETYETUURCH-OAQYLSRUSA-N 0 0 379.460 3.533 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134347621 887862148 /nfs/dbraw/zinc/86/21/48/887862148.db2.gz STJMQNDTTHECAG-SUMWQHHRSA-N 0 0 387.867 3.714 10 0 GHAERN Fc1cc(-c2noc(CN3CCC[C@@H](c4nccs4)C3)n2)cc(F)c1F ZINC000135165870 887950277 /nfs/dbraw/zinc/95/02/77/887950277.db2.gz RYHQTVFKNHUDDB-SNVBAGLBSA-N 0 0 380.395 3.990 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)cc1 ZINC000053745212 888246310 /nfs/dbraw/zinc/24/63/10/888246310.db2.gz AGTBRFDATZUBNL-CQSZACIVSA-N 0 0 397.422 3.960 10 0 GHAERN O=C(Nc1cc(Cl)ccc1NC1CC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000136157560 888278058 /nfs/dbraw/zinc/27/80/58/888278058.db2.gz BPWQXHZEYMZBAR-UHFFFAOYSA-N 0 0 398.894 3.800 10 0 GHAERN COc1ccc(-c2noc(CNc3cc(NC(C)=O)ccc3C)n2)cc1OC ZINC000055841468 888333579 /nfs/dbraw/zinc/33/35/79/888333579.db2.gz NLGMVCUECLWTLF-UHFFFAOYSA-N 0 0 382.420 3.633 10 0 GHAERN CC[C@H](NC(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cccs1 ZINC000056743882 888375918 /nfs/dbraw/zinc/37/59/18/888375918.db2.gz VLJNPBIFVSUNFP-HNNXBMFYSA-N 0 0 377.535 3.865 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3ncc(C(C)(C)C)o3)C2)c1 ZINC000193745620 888519750 /nfs/dbraw/zinc/51/97/50/888519750.db2.gz KGUKQCVRSIADPS-OAHLLOKOSA-N 0 0 386.492 3.938 10 0 GHAERN Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000193956662 888543025 /nfs/dbraw/zinc/54/30/25/888543025.db2.gz WWBHYEPXVQTXPZ-UHFFFAOYSA-N 0 0 387.871 3.599 10 0 GHAERN COc1ccc([C@H](NC(=O)Nc2ccc(Cl)nc2C)c2nccn2C)cc1 ZINC000194634395 888600604 /nfs/dbraw/zinc/60/06/04/888600604.db2.gz DMUONAYBSBEBOP-KRWDZBQOSA-N 0 0 385.855 3.697 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC(C(C)C)C(C)C)c2ccc(F)cc2C1 ZINC000194885418 888628738 /nfs/dbraw/zinc/62/87/38/888628738.db2.gz VNKXYZNJKZUAEE-HXUWFJFHSA-N 0 0 377.504 3.846 10 0 GHAERN O=C(CN[C@@H](c1cccs1)c1ncc[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000195051914 888639121 /nfs/dbraw/zinc/63/91/21/888639121.db2.gz XPIZQBVZUYGAGL-NRFANRHFSA-N 0 0 394.544 3.632 10 0 GHAERN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000195318048 888677934 /nfs/dbraw/zinc/67/79/34/888677934.db2.gz MVIWBDOFRBAOIB-NRFANRHFSA-N 0 0 395.478 3.533 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245404953 888745097 /nfs/dbraw/zinc/74/50/97/888745097.db2.gz RENJOMVJFPLXHU-VSDWSMLSSA-N 0 0 390.483 3.939 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)[C@H]2CCO[C@H]21 ZINC000245433315 888752597 /nfs/dbraw/zinc/75/25/97/888752597.db2.gz PUCNIYRAXVDYKJ-ATZDWAIDSA-N 0 0 385.439 3.735 10 0 GHAERN CCCCN(CC)C(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O ZINC000104976897 889090852 /nfs/dbraw/zinc/09/08/52/889090852.db2.gz UWGXNFYRJULXQM-UHFFFAOYSA-N 0 0 379.545 3.552 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1NC(=O)c1ccco1 ZINC000245877518 889916176 /nfs/dbraw/zinc/91/61/76/889916176.db2.gz JYVZSTCSADEPPU-ATZDWAIDSA-N 0 0 395.459 3.919 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)C1 ZINC000245926181 890028506 /nfs/dbraw/zinc/02/85/06/890028506.db2.gz HPSCFJLKQAQXOB-PWRODBHTSA-N 0 0 396.535 3.807 10 0 GHAERN CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1 ZINC000246081401 890321347 /nfs/dbraw/zinc/32/13/47/890321347.db2.gz CASRWGGTAYBXGG-GUDVDZBRSA-N 0 0 385.508 3.638 10 0 GHAERN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246091114 890341828 /nfs/dbraw/zinc/34/18/28/890341828.db2.gz NCOLKBWXNPHCRQ-FUHWJXTLSA-N 0 0 389.503 3.973 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000246251932 890847223 /nfs/dbraw/zinc/84/72/23/890847223.db2.gz VONCLEMQYPRULW-BHDDXSALSA-N 0 0 389.499 3.649 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000067564104 891155106 /nfs/dbraw/zinc/15/51/06/891155106.db2.gz MTWHRFOHYLGYOH-VQTJNVASSA-N 0 0 387.499 3.506 10 0 GHAERN Cn1c(=S)[nH]nc1C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000068428565 891178644 /nfs/dbraw/zinc/17/86/44/891178644.db2.gz ZDXVXGCLDHZIGF-UONOGXRCSA-N 0 0 376.913 3.641 10 0 GHAERN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246780991 891305388 /nfs/dbraw/zinc/30/53/88/891305388.db2.gz PGNIIMMDSHRMIO-DFQSSKMNSA-N 0 0 397.519 3.700 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000246798233 891307749 /nfs/dbraw/zinc/30/77/49/891307749.db2.gz JPPBHPKYSMTHSC-RTFZILSDSA-N 0 0 390.483 3.939 10 0 GHAERN C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C[C@@H](c2ccsc2)O1 ZINC000246859635 891316989 /nfs/dbraw/zinc/31/69/89/891316989.db2.gz PNIRRVYEWZGQKZ-ZETOZRRWSA-N 0 0 399.438 3.584 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C(C)C)C1 ZINC000246876210 891319635 /nfs/dbraw/zinc/31/96/35/891319635.db2.gz FPHNEBVNUUZLET-NJAFHUGGSA-N 0 0 384.549 3.966 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246899715 891322692 /nfs/dbraw/zinc/32/26/92/891322692.db2.gz RJGKQAQOPHUWSH-RBUKOAKNSA-N 0 0 391.512 3.743 10 0 GHAERN O=C(CCSc1ccc(F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000247843942 891396846 /nfs/dbraw/zinc/39/68/46/891396846.db2.gz GGZQJLVVBBLBDC-UHFFFAOYSA-N 0 0 392.540 3.949 10 0 GHAERN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000247938137 891399597 /nfs/dbraw/zinc/39/95/97/891399597.db2.gz FLYBXIBMVLCWBO-UHFFFAOYSA-N 0 0 397.441 3.664 10 0 GHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000248421283 891434198 /nfs/dbraw/zinc/43/41/98/891434198.db2.gz AFUZUAMDRJRIPV-NRXGSXMXSA-N 0 0 381.925 3.720 10 0 GHAERN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248440151 891436864 /nfs/dbraw/zinc/43/68/64/891436864.db2.gz UMQLTTBBGNTDNH-GXTWGEPZSA-N 0 0 392.385 3.745 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248761648 891466837 /nfs/dbraw/zinc/46/68/37/891466837.db2.gz GPCCIEHMQPORGM-SUMDDJOVSA-N 0 0 382.485 3.526 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCNC[C@@H]1c1cccnc1 ZINC000261945595 892174129 /nfs/dbraw/zinc/17/41/29/892174129.db2.gz KZRZOWZMWLOARC-HDMKZQKVSA-N 0 0 376.287 3.665 10 0 GHAERN C[C@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000152209070 895019553 /nfs/dbraw/zinc/01/95/53/895019553.db2.gz VTNIOZWIZSEQNH-QWHCGFSZSA-N 0 0 379.917 3.563 10 0 GHAERN CCc1cccc(CC)c1NC(=O)C[S@@](=O)Cc1cccc(NC(C)=O)c1 ZINC000101722020 897959402 /nfs/dbraw/zinc/95/94/02/897959402.db2.gz CCAYBISZYFZXGZ-HHHXNRCGSA-N 0 0 386.517 3.657 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cc(NC(C)=O)ccc3C)C2)c1 ZINC000102530238 898012692 /nfs/dbraw/zinc/01/26/92/898012692.db2.gz XUUMEOFFLDGKKT-KRWDZBQOSA-N 0 0 396.491 3.610 10 0 GHAERN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000102897890 898045879 /nfs/dbraw/zinc/04/58/79/898045879.db2.gz IDCRRVJBEBWGOI-HNNXBMFYSA-N 0 0 376.453 3.699 10 0 GHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000102902818 898047326 /nfs/dbraw/zinc/04/73/26/898047326.db2.gz CUMMBGZPYRURMN-UZLBHIALSA-N 0 0 381.476 3.820 10 0 GHAERN Cc1cc(CSCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)no1 ZINC000102937542 898051404 /nfs/dbraw/zinc/05/14/04/898051404.db2.gz BKNNKCWRKSRYGC-UHFFFAOYSA-N 0 0 380.516 3.943 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000104266546 898134636 /nfs/dbraw/zinc/13/46/36/898134636.db2.gz RPFGNUYBICFJNV-KDOFPFPSSA-N 0 0 389.459 3.812 10 0 GHAERN O=C(NCCCS(=O)(=O)c1ccccc1)N(Cc1ccco1)C1CCCC1 ZINC000105197532 898201100 /nfs/dbraw/zinc/20/11/00/898201100.db2.gz RZNXBIANNMIRHT-UHFFFAOYSA-N 0 0 390.505 3.598 10 0 GHAERN COc1ccc(-c2nc(CSCC(=O)NC(C)(C)C)cs2)c(OC)c1 ZINC000105628161 898216219 /nfs/dbraw/zinc/21/62/19/898216219.db2.gz SEVCDRJMIKGJPR-UHFFFAOYSA-N 0 0 380.535 3.975 10 0 GHAERN CCC[C@H]1CCc2nc(NC(=O)[C@H]3CCO[C@@H]3c3cnn(CC)c3)sc2C1 ZINC000333253600 901942894 /nfs/dbraw/zinc/94/28/94/901942894.db2.gz KWKASSOCZSFTCP-DHSIGJKJSA-N 0 0 388.537 3.981 10 0 GHAERN C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333499257 902137195 /nfs/dbraw/zinc/13/71/95/902137195.db2.gz VYCWJDLAMIUSIL-OAGGEKHMSA-N 0 0 377.916 3.834 10 0 GHAERN C[C@H]1OCC[C@]12CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CCO2 ZINC000333505064 902141544 /nfs/dbraw/zinc/14/15/44/902141544.db2.gz KXDATJLHEMMPII-FKPWOLHESA-N 0 0 399.318 3.686 10 0 GHAERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C1 ZINC000333540658 902174337 /nfs/dbraw/zinc/17/43/37/902174337.db2.gz NWFNERQLNJIRCI-QGZVFWFLSA-N 0 0 385.508 3.754 10 0 GHAERN O=C(Nc1c(-c2cccs2)nc2ccccn21)N1CC[C@H](O)CC12CCC2 ZINC000333625345 902230959 /nfs/dbraw/zinc/23/09/59/902230959.db2.gz ADHUXKNHPRRTIH-AWEZNQCLSA-N 0 0 382.489 3.974 10 0 GHAERN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333925967 902429569 /nfs/dbraw/zinc/42/95/69/902429569.db2.gz VAQJXYGBNQNKKZ-IRFCIJBXSA-N 0 0 378.472 3.913 10 0 GHAERN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)cc12 ZINC000333985315 902479983 /nfs/dbraw/zinc/47/99/83/902479983.db2.gz FXSZDXSDCCWTFC-ZQIUZPCESA-N 0 0 399.491 3.768 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000334016036 902503424 /nfs/dbraw/zinc/50/34/24/902503424.db2.gz YXGUVPYBNCMNAC-AXVVYFOYSA-N 0 0 377.488 3.616 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)s2)c1 ZINC000131424155 903095216 /nfs/dbraw/zinc/09/52/16/903095216.db2.gz BQPXILXUJZYSPV-CQSZACIVSA-N 0 0 383.481 3.699 10 0 GHAERN CCOc1ccc(-c2nc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)cs2)cc1 ZINC000181359041 906982291 /nfs/dbraw/zinc/98/22/91/906982291.db2.gz WGPSTCHOCOQMQO-INIZCTEOSA-N 0 0 383.477 3.694 10 0 GHAERN O=C(c1csc(-c2c(F)cccc2F)n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181391863 906989502 /nfs/dbraw/zinc/98/95/02/906989502.db2.gz OJFGIAMSGNYXTI-ZDUSSCGKSA-N 0 0 375.404 3.574 10 0 GHAERN O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183511349 907403549 /nfs/dbraw/zinc/40/35/49/907403549.db2.gz BXPRBUUMXBOGMP-LBPRGKRZSA-N 0 0 387.337 3.644 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183774659 907455335 /nfs/dbraw/zinc/45/53/35/907455335.db2.gz JTVPQBZPIGDKAY-LLVKDONJSA-N 0 0 386.200 3.605 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cs1 ZINC000187131858 908043841 /nfs/dbraw/zinc/04/38/41/908043841.db2.gz BUUURHWZURXWKD-IBGZPJMESA-N 0 0 399.516 3.859 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2sccc2Br)cs1 ZINC000188017023 908168459 /nfs/dbraw/zinc/16/84/59/908168459.db2.gz QPFSEFASAIYBCL-NSHDSACASA-N 0 0 393.353 3.801 10 0 GHAERN CNC(=O)c1cc(NC(=O)N2CCC[C@H]2c2csc(C)n2)ccc1Cl ZINC000188634079 908232639 /nfs/dbraw/zinc/23/26/39/908232639.db2.gz SDUOWTQLIYGZSM-HNNXBMFYSA-N 0 0 378.885 3.834 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cs1 ZINC000188790714 908249709 /nfs/dbraw/zinc/24/97/09/908249709.db2.gz JUPZGOPECCZOEJ-SFHVURJKSA-N 0 0 390.484 3.796 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCCOc2cc(C)ccc2C)C1 ZINC000189075257 908278877 /nfs/dbraw/zinc/27/88/77/908278877.db2.gz ITXIJGJICKKFRE-ZWKOTPCHSA-N 0 0 387.480 3.533 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCCOc2cc(C)ccc2C)C1 ZINC000190007491 908400958 /nfs/dbraw/zinc/40/09/58/908400958.db2.gz ITXIJGJICKKFRE-QZTJIDSGSA-N 0 0 387.480 3.533 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000190009884 908402527 /nfs/dbraw/zinc/40/25/27/908402527.db2.gz LNNNNINVLUBQES-ICSRJNTNSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000190050515 908413018 /nfs/dbraw/zinc/41/30/18/908413018.db2.gz JXGUTCWFAMKMIS-HOCLYGCPSA-N 0 0 395.912 3.892 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000190115190 908429524 /nfs/dbraw/zinc/42/95/24/908429524.db2.gz WYCDJMANRKRRCB-QZTJIDSGSA-N 0 0 386.452 3.693 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCSc4ccccc43)CCO2)n1 ZINC000194019319 908909607 /nfs/dbraw/zinc/90/96/07/908909607.db2.gz NGPILMYEMFWQBE-GJZGRUSLSA-N 0 0 375.519 3.772 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCc4c3cccc4Cl)CCO2)n1 ZINC000194084853 908914312 /nfs/dbraw/zinc/91/43/12/908914312.db2.gz VLBRXKNMWSTUCH-JKSUJKDBSA-N 0 0 377.897 3.875 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CCO2)n1 ZINC000194324568 908936976 /nfs/dbraw/zinc/93/69/76/908936976.db2.gz GUZNLVTVMFXKHY-DOTOQJQBSA-N 0 0 387.505 3.837 10 0 GHAERN Cc1nn2cc(CCCOC(=O)Cc3cccc(OC(C)C)c3)cnc2c1C ZINC000103819079 911283035 /nfs/dbraw/zinc/28/30/35/911283035.db2.gz BUMBOFILYKLAKV-UHFFFAOYSA-N 0 0 381.476 3.852 10 0 GHAERN CC(=O)N(C)CC(=O)O[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000103838257 911634294 /nfs/dbraw/zinc/63/42/94/911634294.db2.gz SSKPBKSEMYXIFJ-GOSISDBHSA-N 0 0 376.250 3.560 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC([C@H]2CCCOC2)CC1 ZINC000371671893 924764165 /nfs/dbraw/zinc/76/41/65/924764165.db2.gz RGXSUXVIYFQAMR-SFHVURJKSA-N 0 0 396.487 3.835 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)c2ccc(F)cc2C1 ZINC000184025842 1014570354 /nfs/dbraw/zinc/57/03/54/1014570354.db2.gz RTFJCUXDPSZOGF-LEWJYISDSA-N 0 0 396.466 3.561 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184027138 1014570486 /nfs/dbraw/zinc/57/04/86/1014570486.db2.gz GBCCRKSNSNUTNT-MDZDMXLPSA-N 0 0 390.458 3.983 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2ccc(F)cc2C1 ZINC000185033431 1014575281 /nfs/dbraw/zinc/57/52/81/1014575281.db2.gz IRXSJVAZRYXWOX-HXUWFJFHSA-N 0 0 398.482 3.815 10 0 GHAERN Cc1ccc(-n2c(=O)[nH]c3c(c2=O)[C@@H](c2ccc(Cl)cc2)C(C)(C)O3)cc1 ZINC000001726086 206292218 /nfs/dbraw/zinc/29/22/18/206292218.db2.gz HBZYFFQJVSONDQ-QGZVFWFLSA-N 0 0 382.847 3.791 10 0 GHAERN CCO[C@@H](Cc1ccccc1)N1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000022859859 206298195 /nfs/dbraw/zinc/29/81/95/206298195.db2.gz DWMKWCBEXVXFQQ-DEOSSOPVSA-N 0 0 380.532 3.791 10 0 GHAERN CCOC(=O)[C@H](C)n1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)nc1=O ZINC000033883405 206303878 /nfs/dbraw/zinc/30/38/78/206303878.db2.gz WZDWERCRCNVQJF-INIZCTEOSA-N 0 0 377.444 3.713 10 0 GHAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000001927245 206394338 /nfs/dbraw/zinc/39/43/38/206394338.db2.gz GXQQMMFNTYANOM-GFCCVEGCSA-N 0 0 377.462 3.956 10 0 GHAERN COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)Cc2ccn(C)c2)cc1 ZINC000012003733 206846774 /nfs/dbraw/zinc/84/67/74/206846774.db2.gz BJNTWOJDVKVARP-FQEVSTJZSA-N 0 0 392.503 3.592 10 0 GHAERN COc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2Br)cc1OC ZINC000014425948 207020940 /nfs/dbraw/zinc/02/09/40/207020940.db2.gz DXULTZIWYVRZKI-LLVKDONJSA-N 0 0 394.265 3.966 10 0 GHAERN COC(=O)c1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 ZINC000014988921 207038173 /nfs/dbraw/zinc/03/81/73/207038173.db2.gz IHALTZVXXMMANO-UHFFFAOYSA-N 0 0 390.439 3.635 10 0 GHAERN COc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000015773087 207059967 /nfs/dbraw/zinc/05/99/67/207059967.db2.gz MUXFXQQMJBHPMB-UVTDQMKNSA-N 0 0 389.274 3.720 10 0 GHAERN Cc1cc(S(N)(=O)=O)cc(N[C@H](C)c2ccc(Br)s2)c1C ZINC000038002580 207250824 /nfs/dbraw/zinc/25/08/24/207250824.db2.gz XZENTDYHMIYDJF-SNVBAGLBSA-N 0 0 389.340 3.948 10 0 GHAERN C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1Br ZINC000023864376 207285011 /nfs/dbraw/zinc/28/50/11/207285011.db2.gz TZVXYMUKGHPEDQ-SECBINFHSA-N 0 0 376.222 3.767 10 0 GHAERN O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CCOCC3)cc2)[nH]1 ZINC000082039618 208078384 /nfs/dbraw/zinc/07/83/84/208078384.db2.gz IPQMDJGLIYPQCP-UHFFFAOYSA-N 0 0 381.863 3.590 10 0 GHAERN Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(C(N)=O)(CC1)CC2 ZINC000091302045 208114338 /nfs/dbraw/zinc/11/43/38/208114338.db2.gz QOLOIYQDEIOHKA-UHFFFAOYSA-N 0 0 378.398 3.578 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H](C[S@@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084281 208153122 /nfs/dbraw/zinc/15/31/22/208153122.db2.gz QEITVLLVUUXOTD-QDXKXIGTSA-N 0 0 395.912 3.648 10 0 GHAERN Cc1c(C(N)=O)sc(NC(=O)/C=C\c2ccc(C)cc2)c1C(=O)OC(C)C ZINC000096437894 208316825 /nfs/dbraw/zinc/31/68/25/208316825.db2.gz HDSSGSFHOGXUFB-KTKRTIGZSA-N 0 0 386.473 3.681 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)c(C)c1 ZINC000065289528 136162605 /nfs/dbraw/zinc/16/26/05/136162605.db2.gz IVBXTVCFRAQASP-QGZVFWFLSA-N 0 0 394.519 3.774 10 0 GHAERN CN1C(=O)COc2ccc(NC(=O)N3CC[C@@H](c4ccccc4Cl)C3)cc21 ZINC000096166644 136184876 /nfs/dbraw/zinc/18/48/76/136184876.db2.gz BTBRDDKVRXSOKC-CYBMUJFWSA-N 0 0 385.851 3.717 10 0 GHAERN CC(=O)N1C[C@H](C(=O)N(C)Cc2ccccc2)C[C@H](c2ccc(F)c(C)c2)C1 ZINC000034715470 570319082 /nfs/dbraw/zinc/31/90/82/570319082.db2.gz LIUVHOZEFHZYFR-LEWJYISDSA-N 0 0 382.479 3.745 10 0 GHAERN COc1ccc([C@@H]2CCc3nc(C(=O)NC4CCCCC4)cn3C2)c(OC)c1 ZINC000034899147 570343239 /nfs/dbraw/zinc/34/32/39/570343239.db2.gz KVCVCPQOSGAASF-OAHLLOKOSA-N 0 0 383.492 3.693 10 0 GHAERN CCCC[C@@H](CC)C(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 ZINC000034924259 570345618 /nfs/dbraw/zinc/34/56/18/570345618.db2.gz CYVHMRKCOYLAAG-MRXNPFEDSA-N 0 0 378.538 3.890 10 0 GHAERN CCN(CCNC(=O)c1ccc(C[S@@](=O)c2ccccc2)o1)c1ccccc1 ZINC000006746368 570381940 /nfs/dbraw/zinc/38/19/40/570381940.db2.gz HVKMXKCBDOQTAP-NDEPHWFRSA-N 0 0 396.512 3.844 10 0 GHAERN NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)CC1 ZINC000004615704 570387970 /nfs/dbraw/zinc/38/79/70/570387970.db2.gz UMJRTMBYNVVMQE-UHFFFAOYSA-N 0 0 391.393 3.659 10 0 GHAERN O=C([C@@H](Cc1ccccc1)n1cccc1)N1CCN(c2ccccc2F)CC1 ZINC000004910866 570417324 /nfs/dbraw/zinc/41/73/24/570417324.db2.gz MMVLTSHPVUABJC-JOCHJYFZSA-N 0 0 377.463 3.760 10 0 GHAERN Cc1cccc(N2CCN(C(=O)[C@@H](C)n3sc4ccccc4c3=O)C[C@H]2C)c1 ZINC000006780751 570588565 /nfs/dbraw/zinc/58/85/65/570588565.db2.gz XJQFOHYUOWFIDX-IAGOWNOFSA-N 0 0 395.528 3.670 10 0 GHAERN O=C(Cc1cc(=O)[nH]c(SCc2ccccc2)n1)NCc1cccc(Cl)c1 ZINC000064567235 570600888 /nfs/dbraw/zinc/60/08/88/570600888.db2.gz DYFNRJXMFQSETO-UHFFFAOYSA-N 0 0 399.903 3.987 10 0 GHAERN CCOc1ccc([C@@H]2OC(c3ccccc3OC(C)C)=NN2C(C)=O)cc1O ZINC000064567423 570601045 /nfs/dbraw/zinc/60/10/45/570601045.db2.gz AUFSGYOOFFMASS-NRFANRHFSA-N 0 0 384.432 3.817 10 0 GHAERN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2ccc(=O)oc2)cc1 ZINC000012303622 570637679 /nfs/dbraw/zinc/63/76/79/570637679.db2.gz FXZIFEKXBUFEQB-GOSISDBHSA-N 0 0 377.444 3.577 10 0 GHAERN O=C(Nc1cccc(F)c1)N1CCC(N2CCN(Cc3ccccc3)C2=O)CC1 ZINC000064988993 570767691 /nfs/dbraw/zinc/76/76/91/570767691.db2.gz YUKKCDKAVYKWQI-UHFFFAOYSA-N 0 0 396.466 3.760 10 0 GHAERN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)C(=O)[C@H](C)[C@H](C)C3)OCO2 ZINC000014692460 570918157 /nfs/dbraw/zinc/91/81/57/570918157.db2.gz ZPDDZABRYUKCAW-GHMZBOCLSA-N 0 0 398.411 3.839 10 0 biogenic GHAERN O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104200202 837400866 /nfs/dbraw/zinc/40/08/66/837400866.db2.gz COAKCUDAMHEOBR-HXUWFJFHSA-N 0 0 376.460 3.523 10 0 GHAERN CC[C@H](NC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1nc(C)cs1 ZINC000105304259 837535596 /nfs/dbraw/zinc/53/55/96/837535596.db2.gz RPGNXIHGAQKPMI-KRWDZBQOSA-N 0 0 392.569 3.773 10 0 GHAERN Cc1nc(C)c(S(=O)(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)s1 ZINC000176940521 837609161 /nfs/dbraw/zinc/60/91/61/837609161.db2.gz RCPAQINLPVELGD-ZDUSSCGKSA-N 0 0 385.580 3.908 10 0 GHAERN C[C@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000066983288 834647806 /nfs/dbraw/zinc/64/78/06/834647806.db2.gz ZIXRSTPXKWKABB-HNNXBMFYSA-N 0 0 377.916 3.835 10 0 GHAERN CCCc1nc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)no1 ZINC000245683294 834696341 /nfs/dbraw/zinc/69/63/41/834696341.db2.gz SIAPEWFONLABHY-SJKOYZFVSA-N 0 0 380.286 3.747 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(C(C)C)nc4ccccc43)CCO2)n1 ZINC000110900889 834801627 /nfs/dbraw/zinc/80/16/27/834801627.db2.gz VNKBEHUAIDLPEK-SFHVURJKSA-N 0 0 392.503 3.713 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)CCC2Cc3ccccc3C2)cs1 ZINC000329840325 834894425 /nfs/dbraw/zinc/89/44/25/834894425.db2.gz NDHBBNVAXQYIEA-IBGZPJMESA-N 0 0 376.547 3.723 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000157549951 834970062 /nfs/dbraw/zinc/97/00/62/834970062.db2.gz ZIHCGAYEWZACLD-UHFFFAOYSA-N 0 0 382.508 3.833 10 0 GHAERN CCc1noc([C@@H](C)N2CCN(C(=O)C3(c4cccc(C)c4)CCCC3)CC2)n1 ZINC000112035624 835017220 /nfs/dbraw/zinc/01/72/20/835017220.db2.gz NYIRZTAUZGICBB-GOSISDBHSA-N 0 0 396.535 3.658 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3ncc(-c4ccccc4)o3)CC2)nc1 ZINC000157764638 835081803 /nfs/dbraw/zinc/08/18/03/835081803.db2.gz ZQFBPYQXNNBZKO-UHFFFAOYSA-N 0 0 390.487 3.763 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)NCc3ccc(C4CC4)cc3)c(=O)[nH]c21 ZINC000588583692 835091098 /nfs/dbraw/zinc/09/10/98/835091098.db2.gz GWZIMSWNDSOHEJ-KTKRTIGZSA-N 0 0 376.460 3.513 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)C1 ZINC000246799266 835108379 /nfs/dbraw/zinc/10/83/79/835108379.db2.gz QTDIIEWWCLYVLG-YQVWRLOYSA-N 0 0 376.545 3.633 10 0 GHAERN Cc1oc(-c2ccccc2)nc1Cc1nc([C@@H]2CN3CCCC[C@@H]3CO2)no1 ZINC000329501234 835149132 /nfs/dbraw/zinc/14/91/32/835149132.db2.gz AFTQLFJKCHKQTJ-AEFFLSMTSA-N 0 0 380.448 3.550 10 0 GHAERN Cn1cnc2cc(C(=O)N[C@@H](c3cccc(Cl)c3)c3ccccn3)cnc21 ZINC000158560003 835435173 /nfs/dbraw/zinc/43/51/73/835435173.db2.gz ULSCBSZLQJHFDW-SFHVURJKSA-N 0 0 377.835 3.536 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)COC4)C2)n1 ZINC000329624170 835458940 /nfs/dbraw/zinc/45/89/40/835458940.db2.gz OEDKQXCSXXOWFV-AWEZNQCLSA-N 0 0 392.546 3.865 10 0 GHAERN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCC1 ZINC000104420851 835538322 /nfs/dbraw/zinc/53/83/22/835538322.db2.gz NRJZKPFYAAYSID-LJQANCHMSA-N 0 0 377.893 3.771 10 0 GHAERN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000187804817 835696806 /nfs/dbraw/zinc/69/68/06/835696806.db2.gz KOXMDVLLMGLDTJ-DYVFJYSZSA-N 0 0 389.801 3.716 10 0 GHAERN COc1cc(-c2nc(CN3CCO[C@@H](c4ccc(C)o4)C3)cs2)ccc1O ZINC000159063122 835714067 /nfs/dbraw/zinc/71/40/67/835714067.db2.gz WZBCUKKDTGQGNN-LJQANCHMSA-N 0 0 386.473 3.999 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1)c1ccncc1 ZINC000159147175 835740646 /nfs/dbraw/zinc/74/06/46/835740646.db2.gz KCDFMHIBLJBBOW-UFYCRDLUSA-N 0 0 381.476 3.521 10 0 GHAERN Cc1ccc([C@H]2CN(CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184900 835751228 /nfs/dbraw/zinc/75/12/28/835751228.db2.gz HEFNAFQCBSLBLH-QGZVFWFLSA-N 0 0 393.281 3.753 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000588592050 835848807 /nfs/dbraw/zinc/84/88/07/835848807.db2.gz WDCMBZPRZZBTDF-BLIJAFNYSA-N 0 0 389.517 3.824 10 0 GHAERN Cc1csc2c1ncnc2N1CCN(c2ncnc3c(C)csc32)CC1 ZINC000001323864 836313223 /nfs/dbraw/zinc/31/32/23/836313223.db2.gz UZDKMJWDTDRQFK-UHFFFAOYSA-N 0 0 382.518 3.639 10 0 GHAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000332768706 836587412 /nfs/dbraw/zinc/58/74/12/836587412.db2.gz DJYBKILPYVOLLS-FCGDIQPGSA-N 0 0 378.900 3.553 10 0 GHAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000332768707 836587630 /nfs/dbraw/zinc/58/76/30/836587630.db2.gz DJYBKILPYVOLLS-NCXUSEDFSA-N 0 0 378.900 3.553 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000113202488 836606900 /nfs/dbraw/zinc/60/69/00/836606900.db2.gz UNCORWCUZGVOTP-NVXWUHKLSA-N 0 0 391.581 3.887 10 0 GHAERN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000332781845 836609135 /nfs/dbraw/zinc/60/91/35/836609135.db2.gz XPUNFZDALNZTQK-NMWPEEMBSA-N 0 0 392.437 3.791 10 0 GHAERN Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)nn1 ZINC000332833323 836717135 /nfs/dbraw/zinc/71/71/35/836717135.db2.gz UIYZRSYUXPGCMH-CEXWTWQISA-N 0 0 385.556 3.754 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000332853038 836759298 /nfs/dbraw/zinc/75/92/98/836759298.db2.gz LWNAGOHPPZAYHN-FCDRMGDPSA-N 0 0 380.467 3.557 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000102537460 837137654 /nfs/dbraw/zinc/13/76/54/837137654.db2.gz KVMTUVBTIUTPHF-UHFFFAOYSA-N 0 0 387.524 3.916 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177497 837272083 /nfs/dbraw/zinc/27/20/83/837272083.db2.gz IHXZGNHZPRAESZ-QFIPXVFZSA-N 0 0 383.455 3.856 10 0 GHAERN Cc1cc(-c2cc(C(=O)N3CCO[C@H]4CCC[C@@H]43)c3c(C)noc3n2)c(C)o1 ZINC000056194140 837293684 /nfs/dbraw/zinc/29/36/84/837293684.db2.gz WTRPFOXOEJINCD-ROUUACIJSA-N 0 0 381.432 3.802 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000103616603 837352256 /nfs/dbraw/zinc/35/22/56/837352256.db2.gz MIWODTLEFMOMTJ-QFIPXVFZSA-N 0 0 388.471 3.671 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000177724517 838201099 /nfs/dbraw/zinc/20/10/99/838201099.db2.gz ZOSFRSVYFBYCQA-CYBMUJFWSA-N 0 0 387.867 3.984 10 0 GHAERN O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113890956 838422994 /nfs/dbraw/zinc/42/29/94/838422994.db2.gz GXXVEEWCZFUFKN-GOSISDBHSA-N 0 0 397.429 3.730 10 0 GHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181733049 838614164 /nfs/dbraw/zinc/61/41/64/838614164.db2.gz JOROSTWQGLHSFA-UAGQMJEPSA-N 0 0 385.512 3.801 10 0 GHAERN Cc1c(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408065325 838707519 /nfs/dbraw/zinc/70/75/19/838707519.db2.gz YKSUFLQEUNJPBP-DOTOQJQBSA-N 0 0 384.451 3.565 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC(C(=O)c2ccccc2)CC1 ZINC000009987075 838824097 /nfs/dbraw/zinc/82/40/97/838824097.db2.gz OYEHHRKQDDPTKY-IBGZPJMESA-N 0 0 394.496 3.611 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000117034035 839539234 /nfs/dbraw/zinc/53/92/34/839539234.db2.gz OHITVMPLMNSZOU-MJGOQNOKSA-N 0 0 399.539 3.932 10 0 GHAERN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)/C=C\c3ccncn3)c2)c1 ZINC000588393359 840400761 /nfs/dbraw/zinc/40/07/61/840400761.db2.gz WESCEFJLIVUIPX-HJWRWDBZSA-N 0 0 387.443 3.759 10 0 GHAERN O=C(/C=C\c1ccncn1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000588393432 840402059 /nfs/dbraw/zinc/40/20/59/840402059.db2.gz UBNWVXUHVNRMGQ-QXMHVHEDSA-N 0 0 381.439 3.659 10 0 GHAERN c1ccc2oc(N3CCN(c4ncnc5sc6c(c54)CCC6)CC3)nc2c1 ZINC000301159792 841135875 /nfs/dbraw/zinc/13/58/75/841135875.db2.gz AFEKMXPJTMFMJP-UHFFFAOYSA-N 0 0 377.473 3.648 10 0 GHAERN Cc1cc(C)n(-c2cncc(N3CCO[C@@H](c4nc(C(C)(C)C)cs4)C3)n2)n1 ZINC000301216123 841153816 /nfs/dbraw/zinc/15/38/16/841153816.db2.gz YDBRASAWKQOBPW-OAHLLOKOSA-N 0 0 398.536 3.611 10 0 GHAERN Cc1cn(-c2ccc(Cl)cc2)nc1N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O ZINC000329264923 861220670 /nfs/dbraw/zinc/22/06/70/861220670.db2.gz FQLXDTMFGICYMB-XYPHTWIQSA-N 0 0 384.867 3.934 10 0 GHAERN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121048715 841898658 /nfs/dbraw/zinc/89/86/58/841898658.db2.gz ZHSBXMRDTWMUAK-WMZHIEFXSA-N 0 0 396.535 3.832 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1ccccc1C(F)(F)F ZINC000330337302 841975689 /nfs/dbraw/zinc/97/56/89/841975689.db2.gz ZVAIECSLSIEKCS-HIFRSBDPSA-N 0 0 391.393 3.574 10 0 GHAERN C[C@H]1CCCN1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000408289556 842094178 /nfs/dbraw/zinc/09/41/78/842094178.db2.gz HMJVBWKTXZLLGX-LBPRGKRZSA-N 0 0 399.969 3.858 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000246584051 842274950 /nfs/dbraw/zinc/27/49/50/842274950.db2.gz BCGIPFZLHIBNIQ-KBMXLJTQSA-N 0 0 391.302 3.672 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000588433834 842431434 /nfs/dbraw/zinc/43/14/34/842431434.db2.gz JCBMDELDJMQSQR-FPLPWBNLSA-N 0 0 396.491 3.560 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000153107324 842502957 /nfs/dbraw/zinc/50/29/57/842502957.db2.gz DLWAVJFPKAYOIS-GHTZIAJQSA-N 0 0 381.524 3.793 10 0 GHAERN CC(C)(C)Cc1nnc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1C[C@H]1CCCCO1 ZINC000328843814 842540725 /nfs/dbraw/zinc/54/07/25/842540725.db2.gz PRMFQPPZHUVJJI-JBYIUTFZSA-N 0 0 390.572 3.567 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1F ZINC000588436752 842589044 /nfs/dbraw/zinc/58/90/44/842589044.db2.gz GJALBKIFEWYMJS-RCQSYPNMSA-N 0 0 379.497 3.751 10 0 GHAERN COc1cc([C@@H](C)NC(=O)/C=C\c2ccncn2)ccc1OCc1ccccc1 ZINC000588438090 842723074 /nfs/dbraw/zinc/72/30/74/842723074.db2.gz YJFDTIWCFATDHT-FPISAVPCSA-N 0 0 389.455 3.955 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1F ZINC000588441172 842752245 /nfs/dbraw/zinc/75/22/45/842752245.db2.gz OHRWMSHPEFBEFA-LCYFTJDESA-N 0 0 377.437 3.588 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1 ZINC000408367496 842903140 /nfs/dbraw/zinc/90/31/40/842903140.db2.gz WMHJFOXAYDTDHB-JFIYKMOQSA-N 0 0 382.526 3.571 10 0 GHAERN Cc1ccc(NC(=O)CCNC(=O)Nc2ccc(C)c(-c3ncco3)c2)nc1 ZINC000162230194 843221535 /nfs/dbraw/zinc/22/15/35/843221535.db2.gz BEYZHYLREOMICK-UHFFFAOYSA-N 0 0 379.420 3.504 10 0 GHAERN COc1cc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc(OC)c1OC ZINC000162529328 843263358 /nfs/dbraw/zinc/26/33/58/843263358.db2.gz UVEOEULPJFDAJV-DJJJIMSYSA-N 0 0 382.464 3.579 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000162485506 843264103 /nfs/dbraw/zinc/26/41/03/843264103.db2.gz UJTFWXCZDKTNQV-UHFFFAOYSA-N 0 0 386.546 3.629 10 0 GHAERN COc1cc(N)c(Cl)cc1C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000162572995 843268656 /nfs/dbraw/zinc/26/86/56/843268656.db2.gz ORIXJYIGWVKGOE-SECBINFHSA-N 0 0 390.802 3.611 10 0 GHAERN COCCOc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000162542899 843271606 /nfs/dbraw/zinc/27/16/06/843271606.db2.gz HPFYTIYMNYRFNT-QVKFZJNVSA-N 0 0 396.491 3.587 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618865 843277788 /nfs/dbraw/zinc/27/77/88/843277788.db2.gz ZFOHCYWBSJCRAK-QVKFZJNVSA-N 0 0 375.476 3.680 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000588455276 843346024 /nfs/dbraw/zinc/34/60/24/843346024.db2.gz IPTTXDDWSZTWDD-MQNTZWLQSA-N 0 0 392.434 3.999 10 0 GHAERN CCCN(C)c1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112306710 843351573 /nfs/dbraw/zinc/35/15/73/843351573.db2.gz LAQCWJNOPAEFAV-UHFFFAOYSA-N 0 0 385.533 3.583 10 0 GHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112425834 843355222 /nfs/dbraw/zinc/35/52/22/843355222.db2.gz NWJKMCLNWVVPQQ-UHFFFAOYSA-N 0 0 383.395 3.545 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000121466262 843374288 /nfs/dbraw/zinc/37/42/88/843374288.db2.gz OCQDZFZUDGJGSP-SJKOYZFVSA-N 0 0 383.286 3.617 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000588457370 843403381 /nfs/dbraw/zinc/40/33/81/843403381.db2.gz YXXJDEOJNUYXHT-RAXLEYEMSA-N 0 0 399.450 3.926 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000408250738 843594018 /nfs/dbraw/zinc/59/40/18/843594018.db2.gz QRFADIMDGOOYAX-BMLIUANNSA-N 0 0 388.270 3.505 10 0 GHAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1)c1ccccc1 ZINC000330300586 843604765 /nfs/dbraw/zinc/60/47/65/843604765.db2.gz IOBRMWUYDQDRDN-DJPFJPOOSA-N 0 0 398.528 3.741 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc([C@H]4C[C@H](C)CC(C)(C)C4)n3)ccn2)CC1 ZINC000329448166 861442394 /nfs/dbraw/zinc/44/23/94/861442394.db2.gz BWWQVTVONZYHNP-YJBOKZPZSA-N 0 0 397.523 3.730 10 0 GHAERN Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000332931883 844662910 /nfs/dbraw/zinc/66/29/10/844662910.db2.gz XWAKXVQCZWPPEC-CFVMTHIKSA-N 0 0 393.318 3.616 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(c3ncnc4sc5ccccc5c43)CCO2)n1 ZINC000333328770 844731076 /nfs/dbraw/zinc/73/10/76/844731076.db2.gz QUXHOISGHSBYSW-OAHLLOKOSA-N 0 0 379.489 3.563 10 0 GHAERN O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151329859 845188377 /nfs/dbraw/zinc/18/83/77/845188377.db2.gz CDYPJJPRHMZAKI-UHFFFAOYSA-N 0 0 392.484 3.696 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000333457967 845365606 /nfs/dbraw/zinc/36/56/06/845365606.db2.gz OYARFVHUWLDTFW-LJQANCHMSA-N 0 0 380.492 3.632 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000151656571 845420108 /nfs/dbraw/zinc/42/01/08/845420108.db2.gz JAYWBKLTJNYKTN-OAHLLOKOSA-N 0 0 398.898 3.814 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H](C)Cc2ccc(Cl)cc2)C1 ZINC000248949534 845478756 /nfs/dbraw/zinc/47/87/56/845478756.db2.gz JVCFURPDJMQGRV-JLZZUVOBSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000248978611 845483898 /nfs/dbraw/zinc/48/38/98/845483898.db2.gz RSCMTBHEYQHHCY-IYWMVGAKSA-N 0 0 377.444 3.623 10 0 GHAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)c2)n1 ZINC000151685543 845498706 /nfs/dbraw/zinc/49/87/06/845498706.db2.gz NSRWIBZOVZKAOW-NRFANRHFSA-N 0 0 379.460 3.663 10 0 GHAERN CCOCc1cccc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c1 ZINC000102473000 845530752 /nfs/dbraw/zinc/53/07/52/845530752.db2.gz ABXJTKFAMQGRFQ-UHFFFAOYSA-N 0 0 376.453 3.673 10 0 GHAERN O=S(=O)(c1sc2ccccc2c1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333492446 845569704 /nfs/dbraw/zinc/56/97/04/845569704.db2.gz ZPQAENMRHFGNBY-SJCJKPOMSA-N 0 0 385.938 3.870 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000151721988 845598630 /nfs/dbraw/zinc/59/86/30/845598630.db2.gz ULTBCOJSFWCTTC-UHFFFAOYSA-N 0 0 385.489 3.769 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000151739733 845638106 /nfs/dbraw/zinc/63/81/06/845638106.db2.gz LYMHYDJBNZFBGB-GOEBONIOSA-N 0 0 388.489 3.509 10 0 GHAERN C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000103455704 845727877 /nfs/dbraw/zinc/72/78/77/845727877.db2.gz OFOJGYNWFMTYGY-NSHDSACASA-N 0 0 399.235 3.839 10 0 GHAERN NC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1F ZINC000105371904 845979962 /nfs/dbraw/zinc/97/99/62/845979962.db2.gz MHCBEBJPOBVPLM-OAQYLSRUSA-N 0 0 389.430 3.667 10 0 GHAERN COc1ccc(C(F)(F)C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1 ZINC000151961801 846070965 /nfs/dbraw/zinc/07/09/65/846070965.db2.gz XTYXUFKRXQLAPJ-INIZCTEOSA-N 0 0 391.349 3.523 10 0 GHAERN O=C(Nc1ccccc1OC1CCCC1)N1CCC(c2ccnn2CCO)CC1 ZINC000152395811 846865579 /nfs/dbraw/zinc/86/55/79/846865579.db2.gz XDAWLRNTWVHTNG-UHFFFAOYSA-N 0 0 398.507 3.608 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625124 861814496 /nfs/dbraw/zinc/81/44/96/861814496.db2.gz OLPHAHLTOHIESH-MOPGFXCFSA-N 0 0 394.519 3.540 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329638899 861860919 /nfs/dbraw/zinc/86/09/19/861860919.db2.gz AYAXHJGDZNMZQV-BBRMVZONSA-N 0 0 398.488 3.806 10 0 GHAERN C[C@@H](OC1CCCCCC1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119896151 848460081 /nfs/dbraw/zinc/46/00/81/848460081.db2.gz MNJKJZPSRDPKJO-UONOGXRCSA-N 0 0 385.501 3.534 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(-c4nccc(C)n4)cc3)CCO2)o1 ZINC000154119482 849192041 /nfs/dbraw/zinc/19/20/41/849192041.db2.gz RBYKEFPIFIKZTA-IBGZPJMESA-N 0 0 378.432 3.959 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)CCCc2csc(C)n2)C1 ZINC000154685293 849350505 /nfs/dbraw/zinc/35/05/05/849350505.db2.gz RGCLAEHPPZRCPO-ZWKOTPCHSA-N 0 0 386.517 3.580 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000155230132 849482702 /nfs/dbraw/zinc/48/27/02/849482702.db2.gz OJQKGRFYKVLOAO-RMKNXTFCSA-N 0 0 384.501 3.535 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)no1 ZINC000170885594 851585885 /nfs/dbraw/zinc/58/58/85/851585885.db2.gz YEKRLKFVRKTQJL-NVXWUHKLSA-N 0 0 382.508 3.982 10 0 GHAERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000101526436 851626962 /nfs/dbraw/zinc/62/69/62/851626962.db2.gz JJCMQSJKAKBSOJ-UHFFFAOYSA-N 0 0 378.500 3.685 10 0 GHAERN C[C@H](SCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1nc(-c2cccs2)no1 ZINC000101585080 851693321 /nfs/dbraw/zinc/69/33/21/851693321.db2.gz KQORLUONBGHYQV-IHRRRGAJSA-N 0 0 393.534 3.762 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2cccc(Cn3cccn3)c2)cc1C ZINC000101608442 851727486 /nfs/dbraw/zinc/72/74/86/851727486.db2.gz FFWNAAQRWDBHEV-UHFFFAOYSA-N 0 0 392.503 3.898 10 0 GHAERN CCOc1cc(C)ccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101747254 851865602 /nfs/dbraw/zinc/86/56/02/851865602.db2.gz REMDJMYXGZSMBN-INIZCTEOSA-N 0 0 375.513 3.798 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@H](O)CC12CCC2 ZINC000333875543 851889883 /nfs/dbraw/zinc/88/98/83/851889883.db2.gz STENTIHHCCSYFD-JTQLQIEISA-N 0 0 375.213 3.639 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CC[C@@H](O)CC12CCC2 ZINC000333875544 851889940 /nfs/dbraw/zinc/88/99/40/851889940.db2.gz STENTIHHCCSYFD-SNVBAGLBSA-N 0 0 375.213 3.639 10 0 GHAERN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526156 853138044 /nfs/dbraw/zinc/13/80/44/853138044.db2.gz FRRKIMATOHZUGU-SFTDATJTSA-N 0 0 395.551 3.576 10 0 GHAERN O=C([C@H]1CCO[C@@H]1c1cccnc1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000330052340 862536143 /nfs/dbraw/zinc/53/61/43/862536143.db2.gz OXISSNOBOAJPHV-SESVDKBCSA-N 0 0 391.471 3.783 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C1)CCCCCC2 ZINC000328986001 854641693 /nfs/dbraw/zinc/64/16/93/854641693.db2.gz UCDKVJDCFHMHSH-UYAOXDASSA-N 0 0 389.540 3.884 10 0 GHAERN C[C@H](C(=O)N(C)C1CCCCC1)[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685498 855131836 /nfs/dbraw/zinc/13/18/36/855131836.db2.gz AZNJEEUTKYOWEY-ASHKIFAZSA-N 0 0 392.496 3.909 10 0 GHAERN COc1ccc(C(C)(C)CNC(=O)c2coc(Br)c2)cc1OC ZINC000105989860 855162741 /nfs/dbraw/zinc/16/27/41/855162741.db2.gz AGXVYNPUPAVWAS-UHFFFAOYSA-N 0 0 382.254 3.767 10 0 GHAERN Cc1nccn1C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162826762 855225929 /nfs/dbraw/zinc/22/59/29/855225929.db2.gz VLACMABTQQBRRH-CYBMUJFWSA-N 0 0 388.320 3.660 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000190049137 855427521 /nfs/dbraw/zinc/42/75/21/855427521.db2.gz ZFWNBYYFCWGMME-CABCVRRESA-N 0 0 375.494 3.701 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000064996974 856080034 /nfs/dbraw/zinc/08/00/34/856080034.db2.gz ZCHVDXXXIQCVNG-UHFFFAOYSA-N 0 0 390.911 3.659 10 0 GHAERN O=C([C@H]1CCCN(c2ncccn2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000030221842 856095197 /nfs/dbraw/zinc/09/51/97/856095197.db2.gz QRNQIQPVDPIZCK-IBGZPJMESA-N 0 0 376.460 3.515 10 0 GHAERN Cc1cccc(-n2nnnc2SCC2CCN(C(=O)CC(C)C)CC2)c1C ZINC000184979678 856167650 /nfs/dbraw/zinc/16/76/50/856167650.db2.gz JOVGJGCGWBVPRW-UHFFFAOYSA-N 0 0 387.553 3.656 10 0 GHAERN O=C(Nc1ccc(F)c(F)c1F)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000015002108 856417830 /nfs/dbraw/zinc/41/78/30/856417830.db2.gz ZRKPNGMJDFBLME-UHFFFAOYSA-N 0 0 380.341 3.734 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000247970834 862832405 /nfs/dbraw/zinc/83/24/05/862832405.db2.gz HICLVRHXDGSBIG-FBPBVXOASA-N 0 0 386.536 3.799 10 0 GHAERN Cc1cc(F)ccc1NC(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000330332383 862972812 /nfs/dbraw/zinc/97/28/12/862972812.db2.gz OVCJQKNVGIWEME-KRWDZBQOSA-N 0 0 384.455 3.815 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)C2)n1 ZINC000247426398 858718620 /nfs/dbraw/zinc/71/86/20/858718620.db2.gz VRIYKWRAFGTQQU-BHIFYINESA-N 0 0 395.551 3.728 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000194572199 859064588 /nfs/dbraw/zinc/06/45/88/859064588.db2.gz ROZBCNWPMXQPJJ-TZMCWYRMSA-N 0 0 388.541 3.851 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1c1ccccc1Cl)CC2 ZINC000161544938 859687935 /nfs/dbraw/zinc/68/79/35/859687935.db2.gz GAHAELLHRNBJRR-RHSMWYFYSA-N 0 0 387.915 3.916 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163302032 859873959 /nfs/dbraw/zinc/87/39/59/859873959.db2.gz RLWVUVCHRVUREY-CRAIPNDOSA-N 0 0 383.471 3.788 10 0 GHAERN COc1ccccc1CC1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000102410513 860263030 /nfs/dbraw/zinc/26/30/30/860263030.db2.gz YKUGFHMGKPXNMY-QGZVFWFLSA-N 0 0 384.524 3.754 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172435787 860433160 /nfs/dbraw/zinc/43/31/60/860433160.db2.gz QAVYADXZDFOLGS-XLIONFOSSA-N 0 0 381.524 3.971 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000102645051 860502135 /nfs/dbraw/zinc/50/21/35/860502135.db2.gz LWGMFSDJAICBCH-KUHUBIRLSA-N 0 0 375.428 3.866 10 0 GHAERN CCOCc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1 ZINC000102538617 860755044 /nfs/dbraw/zinc/75/50/44/860755044.db2.gz LQBULDFHTALKHN-CALCHBBNSA-N 0 0 398.507 3.553 10 0 GHAERN Cc1c(Br)cccc1NC(=O)NCCCNC(=O)OC(C)(C)C ZINC000103586225 881581165 /nfs/dbraw/zinc/58/11/65/881581165.db2.gz BWJDGCOEWBBIKC-UHFFFAOYSA-N 0 0 386.290 3.794 10 0 GHAERN CC(C)c1ccccc1NC(=O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000102694499 860819484 /nfs/dbraw/zinc/81/94/84/860819484.db2.gz ALEVKPYWHVRVNO-UHFFFAOYSA-N 0 0 377.492 3.671 10 0 GHAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152572939 860909027 /nfs/dbraw/zinc/90/90/27/860909027.db2.gz SZPAQCHUDYAMOH-IDHHARJASA-N 0 0 395.341 3.717 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000329107780 861024449 /nfs/dbraw/zinc/02/44/49/861024449.db2.gz PHFIFVOYEOUXAC-QZTJIDSGSA-N 0 0 383.517 3.554 10 0 GHAERN Cc1cnn(CC2CCN([C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)c1 ZINC000329147637 861067321 /nfs/dbraw/zinc/06/73/21/861067321.db2.gz PDJAWHGFEMQURI-AWEZNQCLSA-N 0 0 385.537 3.992 10 0 GHAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332977128 863328480 /nfs/dbraw/zinc/32/84/80/863328480.db2.gz WQZBLRMBXSYZCR-FXAWDEMLSA-N 0 0 392.455 3.729 10 0 GHAERN Cc1cc(C)cc(N2CC[C@@H](C(=O)N[C@H](c3ccccc3)c3ccncc3)C2=O)c1 ZINC000103086520 863891127 /nfs/dbraw/zinc/89/11/27/863891127.db2.gz BPZNCTBBMPMBBA-XZOQPEGZSA-N 0 0 399.494 3.957 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NC[C@H]3CCN(c4ccccc4)C3)c21 ZINC000103180159 863903229 /nfs/dbraw/zinc/90/32/29/863903229.db2.gz DEQRNLAMWCPTLF-GOSISDBHSA-N 0 0 376.504 3.845 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)NCCCCOCc3ccccc3)c2)n[nH]1 ZINC000103293281 863942437 /nfs/dbraw/zinc/94/24/37/863942437.db2.gz HBGCYQJTCLSUGK-UHFFFAOYSA-N 0 0 379.464 3.899 10 0 GHAERN O=C(CNC(=O)N[C@@H](c1ccccc1)c1ccncc1)Nc1ccc(Cl)cc1 ZINC000103309638 863952918 /nfs/dbraw/zinc/95/29/18/863952918.db2.gz ITLXKBPBHWMNSX-FQEVSTJZSA-N 0 0 394.862 3.762 10 0 GHAERN CCCOc1ncccc1CNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103310755 863953599 /nfs/dbraw/zinc/95/35/99/863953599.db2.gz HXVJZYNXJKXIAZ-FQEVSTJZSA-N 0 0 376.460 3.854 10 0 GHAERN COC(=O)c1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000103479947 864017306 /nfs/dbraw/zinc/01/73/06/864017306.db2.gz UDZZPQYPTZOGGD-UHFFFAOYSA-N 0 0 388.414 3.602 10 0 GHAERN Cc1c(Br)cccc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103787820 864054195 /nfs/dbraw/zinc/05/41/95/864054195.db2.gz OMUZYCHPIMUOQN-UHFFFAOYSA-N 0 0 392.644 3.639 10 0 GHAERN CC(C)Oc1ccc(F)cc1NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000103788957 864054614 /nfs/dbraw/zinc/05/46/14/864054614.db2.gz FNKRNWQQCXGKNQ-ZDUSSCGKSA-N 0 0 397.443 3.943 10 0 GHAERN Cc1ccc(-c2csc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)n2)cc1 ZINC000103730046 864074088 /nfs/dbraw/zinc/07/40/88/864074088.db2.gz SONNZBAANGLBRQ-UHFFFAOYSA-N 0 0 396.863 4.000 10 0 GHAERN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103738563 864077633 /nfs/dbraw/zinc/07/76/33/864077633.db2.gz MPYPBKFCIHJCLM-LJQANCHMSA-N 0 0 397.866 3.692 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1C(F)(F)F ZINC000103740792 864079776 /nfs/dbraw/zinc/07/97/76/864079776.db2.gz MHZVFCYSIPJDGG-UHFFFAOYSA-N 0 0 381.745 3.895 10 0 GHAERN O=C(Nc1nc2c(s1)CCCCCC2)c1ccc(-n2cnnn2)cc1Cl ZINC000103771867 864088635 /nfs/dbraw/zinc/08/86/35/864088635.db2.gz BFCAWFODMZZNTO-UHFFFAOYSA-N 0 0 388.884 3.684 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000245897923 864233834 /nfs/dbraw/zinc/23/38/34/864233834.db2.gz NLXXOYLPWYFMFB-KZNAEPCWSA-N 0 0 394.443 3.639 10 0 GHAERN COc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016322 865085534 /nfs/dbraw/zinc/08/55/34/865085534.db2.gz VAVKJNDMBIOICI-VQIMIIECSA-N 0 0 394.523 3.841 10 0 GHAERN CCOC(=O)c1cccnc1N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000302222567 865772810 /nfs/dbraw/zinc/77/28/10/865772810.db2.gz MZBFMQJAWINFFH-UHFFFAOYSA-N 0 0 392.377 3.775 10 0 GHAERN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248418518 866178849 /nfs/dbraw/zinc/17/88/49/866178849.db2.gz KJXZXSKHHONSQX-IEZWGBDMSA-N 0 0 385.508 3.974 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](c3ccc4c(c3)OCCO4)C(C)C)C2)c1 ZINC000111805995 866704878 /nfs/dbraw/zinc/70/48/78/866704878.db2.gz MIFLWWUTKYDMAT-NQIIRXRSSA-N 0 0 398.507 3.707 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000114571766 866768418 /nfs/dbraw/zinc/76/84/18/866768418.db2.gz LIHVEABOFMNJAE-PMACEKPBSA-N 0 0 398.507 3.964 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nn1-c1cc(C)cc(C)c1 ZINC000180205920 866899685 /nfs/dbraw/zinc/89/96/85/866899685.db2.gz KGHPSUTUKLVISX-PGRDOPGGSA-N 0 0 382.508 3.956 10 0 GHAERN COc1cccc(C(=O)NC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c1 ZINC000169856899 882029711 /nfs/dbraw/zinc/02/97/11/882029711.db2.gz KKMHKJMWKAFGIP-UHFFFAOYSA-N 0 0 396.531 3.632 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)c1ccncc1 ZINC000170884501 882064261 /nfs/dbraw/zinc/06/42/61/882064261.db2.gz YOTJVHFTUDAXPX-PZJWPPBQSA-N 0 0 386.455 3.596 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180384019 867209338 /nfs/dbraw/zinc/20/93/38/867209338.db2.gz AUILEIUROVMZBK-YWZLYKJASA-N 0 0 388.899 3.993 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000171645583 882121711 /nfs/dbraw/zinc/12/17/11/882121711.db2.gz IHGVASZZROODLM-NVXWUHKLSA-N 0 0 391.924 3.770 10 0 GHAERN O=C(NC1CCC(O)CC1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000171572671 882143327 /nfs/dbraw/zinc/14/33/27/882143327.db2.gz KJEBFRMVDKHTMV-VMBOVVBDSA-N 0 0 389.496 3.929 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151596419 868040414 /nfs/dbraw/zinc/04/04/14/868040414.db2.gz KBXDZFKOQVFYDK-AUUYWEPGSA-N 0 0 391.309 3.627 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171721844 882155752 /nfs/dbraw/zinc/15/57/52/882155752.db2.gz WNUFBSXGBXXZIN-IEBWSBKVSA-N 0 0 381.501 3.813 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc3cnn(C(C)C)c3c2)c2ccccc2)[nH]1 ZINC000171753106 882158958 /nfs/dbraw/zinc/15/89/58/882158958.db2.gz XRENKUJDQAWYRY-LJQANCHMSA-N 0 0 389.463 3.955 10 0 GHAERN O=C(Nc1cccc(-n2cccc2)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000171774873 882160464 /nfs/dbraw/zinc/16/04/64/882160464.db2.gz GHJOOWWVAJQLDM-KRWDZBQOSA-N 0 0 386.459 3.932 10 0 GHAERN CC(=O)N(c1nc(CN[C@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(F)cc1 ZINC000172067898 882167122 /nfs/dbraw/zinc/16/71/22/882167122.db2.gz LPJGPLWKEFGHBC-PMACEKPBSA-N 0 0 397.475 3.715 10 0 GHAERN O=C(NCC1(c2cccc(F)c2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172423917 882275202 /nfs/dbraw/zinc/27/52/02/882275202.db2.gz QHLMFRWRBQMTKQ-UHFFFAOYSA-N 0 0 398.453 3.665 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000172638614 882281217 /nfs/dbraw/zinc/28/12/17/882281217.db2.gz XLUZFSXBOHTXFC-RBUKOAKNSA-N 0 0 393.487 3.883 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000172638330 882281241 /nfs/dbraw/zinc/28/12/41/882281241.db2.gz KWLBZVBVBWPHEW-LEWJYISDSA-N 0 0 382.504 3.578 10 0 GHAERN Cc1ccc(CN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)C(C)C)s1 ZINC000172885037 882304414 /nfs/dbraw/zinc/30/44/14/882304414.db2.gz RKLSZBHFNKSCSC-UHFFFAOYSA-N 0 0 385.533 3.741 10 0 GHAERN CCCNc1nnc(S(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)s1 ZINC000172870851 882316073 /nfs/dbraw/zinc/31/60/73/882316073.db2.gz NJNPCEIYZPANTD-UHFFFAOYSA-N 0 0 398.897 3.642 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@H]2c2ccncc2)cccc1N1CCNC1=O ZINC000173098133 882321071 /nfs/dbraw/zinc/32/10/71/882321071.db2.gz WAIFCTPHIUUBJU-FQEVSTJZSA-N 0 0 378.476 3.677 10 0 GHAERN CC1(C)CC[C@@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000172905455 882323550 /nfs/dbraw/zinc/32/35/50/882323550.db2.gz PCSVMQIEAQUQQV-HXUWFJFHSA-N 0 0 391.515 3.863 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172984805 882327117 /nfs/dbraw/zinc/32/71/17/882327117.db2.gz HCHDAGTYEBMXAU-ROUUACIJSA-N 0 0 398.409 3.610 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172987568 882329655 /nfs/dbraw/zinc/32/96/55/882329655.db2.gz JBWYCAXIOVCKGM-MDZDMXLPSA-N 0 0 399.450 3.790 10 0 GHAERN CC(C)(C)Oc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000173262904 882344704 /nfs/dbraw/zinc/34/47/04/882344704.db2.gz DKDXRKRHACOTLV-UHFFFAOYSA-N 0 0 381.476 3.750 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)ccc1OC(C)C ZINC000173268820 882344816 /nfs/dbraw/zinc/34/48/16/882344816.db2.gz YKIQNJIOIDZASY-UHFFFAOYSA-N 0 0 381.476 3.668 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@@](=O)Cc2ccc(Cl)cc2)cc1 ZINC000173141028 882352477 /nfs/dbraw/zinc/35/24/77/882352477.db2.gz XMJIYHIYPKVKNE-BCHFMIIMSA-N 0 0 391.920 3.961 10 0 GHAERN C[C@H](CC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)Cc1cccc(F)c1 ZINC000173369764 882357503 /nfs/dbraw/zinc/35/75/03/882357503.db2.gz CSARJLLRQAKEBF-INIZCTEOSA-N 0 0 396.462 3.936 10 0 GHAERN Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)s1 ZINC000173372763 882357985 /nfs/dbraw/zinc/35/79/85/882357985.db2.gz NIZNTOSVNCWQFA-HNNXBMFYSA-N 0 0 387.553 3.835 10 0 GHAERN CCC(CC)(CNC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000173415258 882359795 /nfs/dbraw/zinc/35/97/95/882359795.db2.gz PDCJRZLEURFQKJ-UHFFFAOYSA-N 0 0 398.551 3.522 10 0 GHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCC[C@@H]2c3ccccc3NC2=O)s1 ZINC000173463399 882363675 /nfs/dbraw/zinc/36/36/75/882363675.db2.gz HXPTWSUAJQIEJJ-UKRRQHHQSA-N 0 0 386.521 3.842 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)C[C@H]2c3ccccc3NC2=O)CC1 ZINC000102379146 882366301 /nfs/dbraw/zinc/36/63/01/882366301.db2.gz WMPZUCNHEWIWIG-IBGZPJMESA-N 0 0 378.472 3.602 10 0 GHAERN C[C@@H](CNC(=O)N1CCCN(C(=O)c2cccs2)CC1)Cc1cccs1 ZINC000173647495 882388123 /nfs/dbraw/zinc/38/81/23/882388123.db2.gz OFJTVNKFDNQCJT-OAHLLOKOSA-N 0 0 391.562 3.546 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(-n2cccn2)cc1 ZINC000173657112 882389246 /nfs/dbraw/zinc/38/92/46/882389246.db2.gz OTZAZBVTVYYHRE-NVXWUHKLSA-N 0 0 381.505 3.979 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc(F)cc2OC(F)F)c2ccccc2)[nH]1 ZINC000174052222 882418345 /nfs/dbraw/zinc/41/83/45/882418345.db2.gz FLFGWQXRZSRLEE-OAHLLOKOSA-N 0 0 391.353 3.765 10 0 GHAERN O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC(Nc2ccccc2F)CC1 ZINC000174068896 882421430 /nfs/dbraw/zinc/42/14/30/882421430.db2.gz IKLAPCAEIIGVNK-UHFFFAOYSA-N 0 0 383.398 3.523 10 0 GHAERN O=C(c1cncn1-c1ccc(F)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174077570 882422156 /nfs/dbraw/zinc/42/21/56/882422156.db2.gz ZOPIGEBMOHRSIQ-UHFFFAOYSA-N 0 0 382.414 3.867 10 0 GHAERN O=C(Cc1csc(-c2ccccn2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000174085341 882424066 /nfs/dbraw/zinc/42/40/66/882424066.db2.gz YIXPLCJPDADEGP-UHFFFAOYSA-N 0 0 396.491 3.990 10 0 GHAERN CC(C)c1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000174297980 882445489 /nfs/dbraw/zinc/44/54/89/882445489.db2.gz BLWKUQADNBMXNT-UHFFFAOYSA-N 0 0 383.496 3.810 10 0 GHAERN CC(C)c1ccccc1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174321623 882450710 /nfs/dbraw/zinc/45/07/10/882450710.db2.gz RMOGIFDTOLDABW-UHFFFAOYSA-N 0 0 383.496 3.810 10 0 GHAERN Cc1nnc(-c2cccc(NC(=O)/C=C/c3ccc(N4CCCC4=O)cc3)c2)o1 ZINC000174373978 882458367 /nfs/dbraw/zinc/45/83/67/882458367.db2.gz YFKXEYWBOXRPON-FMIVXFBMSA-N 0 0 388.427 3.824 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000174483997 882471145 /nfs/dbraw/zinc/47/11/45/882471145.db2.gz DKNZSOZILOISJS-CYBMUJFWSA-N 0 0 390.480 3.625 10 0 GHAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035275 882518755 /nfs/dbraw/zinc/51/87/55/882518755.db2.gz NGDBMYZTCLUVOD-XUZZJYLKSA-N 0 0 380.532 3.532 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000175056531 882520430 /nfs/dbraw/zinc/52/04/30/882520430.db2.gz BRBBHFVWDGKFRK-CRAIPNDOSA-N 0 0 388.508 3.657 10 0 GHAERN O=C(c1ncncc1Cl)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000175151752 882529295 /nfs/dbraw/zinc/52/92/95/882529295.db2.gz RAQHACMWBLMYQL-UHFFFAOYSA-N 0 0 377.231 3.944 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000175302283 882540287 /nfs/dbraw/zinc/54/02/87/882540287.db2.gz LOGIJNUBWBPPRW-WMLDXEAASA-N 0 0 378.432 3.544 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Cc3nc(-c4ccco4)oc3C)C2)c1 ZINC000175398507 882550631 /nfs/dbraw/zinc/55/06/31/882550631.db2.gz VSOVHTLHKUSJGY-HNNXBMFYSA-N 0 0 396.443 3.819 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)C3(c4ccccc4)CCOCC3)C2)c1 ZINC000175404964 882552182 /nfs/dbraw/zinc/55/21/82/882552182.db2.gz VRRDMZHGQSHKJC-GOSISDBHSA-N 0 0 395.499 3.768 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2cccc(O)c2)CC2CC2)CC1 ZINC000175650425 882569173 /nfs/dbraw/zinc/56/91/73/882569173.db2.gz WBRFESMGKXQBSQ-UHFFFAOYSA-N 0 0 398.528 3.745 10 0 GHAERN C[C@@]1(C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCc2ccccc21 ZINC000101516346 872049768 /nfs/dbraw/zinc/04/97/68/872049768.db2.gz LGSSUTXENPPSLJ-XMMPIXPASA-N 0 0 391.515 3.621 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000101539393 872076948 /nfs/dbraw/zinc/07/69/48/872076948.db2.gz RGBIVJPWFIYXRT-MRXNPFEDSA-N 0 0 379.504 3.630 10 0 GHAERN CC(C)C[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000175460668 882582811 /nfs/dbraw/zinc/58/28/11/882582811.db2.gz PBHDINJLHLGZGO-SFHVURJKSA-N 0 0 398.898 3.902 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)cc1 ZINC000175876457 882610209 /nfs/dbraw/zinc/61/02/09/882610209.db2.gz HKPLTXCISTUAHB-LGMFNTMXSA-N 0 0 390.480 3.982 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1noc(Cc2ccccc2)n1 ZINC000175739887 882619465 /nfs/dbraw/zinc/61/94/65/882619465.db2.gz BBCXHNYYPTYFNR-GDBMZVCRSA-N 0 0 397.504 3.767 10 0 GHAERN Cn1cc(CCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 ZINC000176196959 882644148 /nfs/dbraw/zinc/64/41/48/882644148.db2.gz OCYTUSUFHHETJX-UHFFFAOYSA-N 0 0 395.547 3.752 10 0 GHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176306568 882677546 /nfs/dbraw/zinc/67/75/46/882677546.db2.gz BRBYSZDCKOODEG-ROUUACIJSA-N 0 0 375.476 3.557 10 0 GHAERN COc1ccc([C@@H](NC(=O)/C=C/c2ccc3ccccc3n2)c2nccn2C)cc1 ZINC000016473878 873067016 /nfs/dbraw/zinc/06/70/16/873067016.db2.gz PVBJTHMCKNHIPK-RBNVVWFDSA-N 0 0 398.466 3.896 10 0 GHAERN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000176733851 882708293 /nfs/dbraw/zinc/70/82/93/882708293.db2.gz BYSQUKYPSWZWPJ-YCRPNKLZSA-N 0 0 395.478 3.513 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000102695581 873463018 /nfs/dbraw/zinc/46/30/18/873463018.db2.gz SWFQKHADWRGMAS-INIZCTEOSA-N 0 0 383.492 3.593 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)c3cccnc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744481 873526070 /nfs/dbraw/zinc/52/60/70/873526070.db2.gz FINQZGZJTWKTLU-BETUJISGSA-N 0 0 379.382 3.966 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N[C@H](C)C(C)(C)c3ccccc3)c(=O)[nH]c21 ZINC000102758212 873534268 /nfs/dbraw/zinc/53/42/68/873534268.db2.gz KYBQDHVRCUPEJQ-LPQFERQCSA-N 0 0 392.503 3.801 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)n[nH]1 ZINC000102763333 873568919 /nfs/dbraw/zinc/56/89/19/873568919.db2.gz YPBDDUWKMQLAMJ-RYUDHWBXSA-N 0 0 382.386 3.603 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)CCn3cccn3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102763357 873570650 /nfs/dbraw/zinc/57/06/50/873570650.db2.gz GGNBNCAHAJJHFG-ZIAGYGMSSA-N 0 0 396.413 3.544 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000176808125 882738087 /nfs/dbraw/zinc/73/80/87/882738087.db2.gz KZJIVPKLGWWOGB-GOSISDBHSA-N 0 0 390.443 3.734 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Oc4cccnc4)cc3)CC2)n1 ZINC000116667235 873614459 /nfs/dbraw/zinc/61/44/59/873614459.db2.gz XUTROQJGHVJGCB-UHFFFAOYSA-N 0 0 388.471 3.976 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)n1 ZINC000116938776 873794631 /nfs/dbraw/zinc/79/46/31/873794631.db2.gz DVUJCUGJFAEZSL-HOCLYGCPSA-N 0 0 384.446 3.779 10 0 GHAERN O=c1ccc(-c2ccc(F)cc2)nn1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102921112 873881075 /nfs/dbraw/zinc/88/10/75/873881075.db2.gz KZBVOIVRGXEWTA-IBGZPJMESA-N 0 0 393.418 3.573 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117612640 874074565 /nfs/dbraw/zinc/07/45/65/874074565.db2.gz HUUQXTDWDIXEJB-SJKOYZFVSA-N 0 0 392.377 3.790 10 0 GHAERN O=C(Cn1cnc2c3ccccc3oc2c1=O)N1CC=C(c2cccs2)CC1 ZINC000117722246 874147675 /nfs/dbraw/zinc/14/76/75/874147675.db2.gz KGCMDKFJFPTNMT-UHFFFAOYSA-N 0 0 391.452 3.520 10 0 GHAERN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)/C=C/c2ccnn2C)n1 ZINC000177466993 882802738 /nfs/dbraw/zinc/80/27/38/882802738.db2.gz FHBZKSOPLJEEKE-FNORWQNLSA-N 0 0 385.855 3.974 10 0 GHAERN O=C(NCc1cscn1)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000104345144 874317590 /nfs/dbraw/zinc/31/75/90/874317590.db2.gz GFDHJHPAEIJEFL-UHFFFAOYSA-N 0 0 383.498 3.876 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104908124 874847479 /nfs/dbraw/zinc/84/74/79/874847479.db2.gz RQXPKKINGNGYLV-IBGZPJMESA-N 0 0 397.906 3.535 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc(F)c1 ZINC000178105370 882886229 /nfs/dbraw/zinc/88/62/29/882886229.db2.gz ASFDUZPOHYJSGU-QGZVFWFLSA-N 0 0 396.422 3.718 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3Cl)CC2)n1 ZINC000178553417 882901688 /nfs/dbraw/zinc/90/16/88/882901688.db2.gz PPDMKEQTAIMPLA-UHFFFAOYSA-N 0 0 398.816 3.856 10 0 GHAERN O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178762279 882917776 /nfs/dbraw/zinc/91/77/76/882917776.db2.gz OITZJEOIPOJCAC-LLVKDONJSA-N 0 0 375.354 3.562 10 0 GHAERN O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178762291 882918104 /nfs/dbraw/zinc/91/81/04/882918104.db2.gz OITZJEOIPOJCAC-NSHDSACASA-N 0 0 375.354 3.562 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCOc2cccc(C)c2)c2ccccc2F)no1 ZINC000178890294 882961526 /nfs/dbraw/zinc/96/15/26/882961526.db2.gz BGQWEXMHBCZWQD-IBGZPJMESA-N 0 0 398.438 3.635 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000179407492 882970804 /nfs/dbraw/zinc/97/08/04/882970804.db2.gz UJILHOVHBWYLNZ-MRXNPFEDSA-N 0 0 381.398 3.830 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000179110948 882971939 /nfs/dbraw/zinc/97/19/39/882971939.db2.gz BCRDZNHANCXNKU-LJQANCHMSA-N 0 0 385.464 3.610 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)CCO2)o1 ZINC000179186897 882978302 /nfs/dbraw/zinc/97/83/02/882978302.db2.gz JEGVIKUONIELHN-UZLBHIALSA-N 0 0 397.475 3.559 10 0 GHAERN CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1 ZINC000179475982 883002416 /nfs/dbraw/zinc/00/24/16/883002416.db2.gz FBQXWYGRLXRNHI-UHFFFAOYSA-N 0 0 385.468 3.598 10 0 GHAERN CCCc1csc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)n1 ZINC000179969242 883042034 /nfs/dbraw/zinc/04/20/34/883042034.db2.gz XIVBNKQQAULWLO-UHFFFAOYSA-N 0 0 375.469 3.726 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4ncn(C)n4)cc3)C2)cc1 ZINC000180225678 883069125 /nfs/dbraw/zinc/06/91/25/883069125.db2.gz JUVABTGQHPDKKT-DNVCBOLYSA-N 0 0 376.460 3.509 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000097572608 883093628 /nfs/dbraw/zinc/09/36/28/883093628.db2.gz HIFJUOIQZVOMIS-JXMROGBWSA-N 0 0 396.834 3.678 10 0 GHAERN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Oc4ccc(C)cn4)CC3)c12 ZINC000180863771 883105309 /nfs/dbraw/zinc/10/53/09/883105309.db2.gz MFLDEFRUEAWRQD-UHFFFAOYSA-N 0 0 392.459 3.796 10 0 GHAERN COc1cc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)cc(OC)c1OC ZINC000201361649 877956511 /nfs/dbraw/zinc/95/65/11/877956511.db2.gz QLVBFVSCWVAZMY-UHFFFAOYSA-N 0 0 385.399 3.711 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000121906287 878033098 /nfs/dbraw/zinc/03/30/98/878033098.db2.gz XEMXBQGELODEPA-ZBFHGGJFSA-N 0 0 381.432 3.675 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122655104 879241506 /nfs/dbraw/zinc/24/15/06/879241506.db2.gz DEUIPWQVZGEXLC-NHCUHLMSSA-N 0 0 379.435 3.740 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000150712073 879867318 /nfs/dbraw/zinc/86/73/18/879867318.db2.gz CEADOTFOTZOQOV-MCIONIFRSA-N 0 0 393.318 3.943 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000123050915 879905977 /nfs/dbraw/zinc/90/59/77/879905977.db2.gz DYZMXUMQYNVOBE-FQEVSTJZSA-N 0 0 397.475 3.757 10 0 GHAERN COCc1ccsc1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000181300440 883135761 /nfs/dbraw/zinc/13/57/61/883135761.db2.gz BWFUTVYVGHXYFM-HNNXBMFYSA-N 0 0 396.306 3.871 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3cccc(NC(C)=O)c3)cc2)CCC(=O)NC1=O ZINC000182742150 883232993 /nfs/dbraw/zinc/23/29/93/883232993.db2.gz OEPYFKNZQXAENK-NPMXOYFQSA-N 0 0 393.487 3.903 10 0 GHAERN O=C(NC1CCC(O)CC1)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000183782926 883287809 /nfs/dbraw/zinc/28/78/09/883287809.db2.gz CNZSMQPFZAGBCO-UYSNPLJNSA-N 0 0 389.496 3.929 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2cn(-c3ccccc3)nc2C)c2ccccc2)[nH]1 ZINC000183666088 883293932 /nfs/dbraw/zinc/29/39/32/883293932.db2.gz QWLYATBSQBNCRC-LJQANCHMSA-N 0 0 387.447 3.518 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2ccc(F)cc2C1 ZINC000184112523 883320376 /nfs/dbraw/zinc/32/03/76/883320376.db2.gz DGEBLMYUQKIBGZ-MRXNPFEDSA-N 0 0 396.249 3.751 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccnc3ccccc32)c2ccc(F)cc2C1 ZINC000184160083 883325347 /nfs/dbraw/zinc/32/53/47/883325347.db2.gz YKWFRENORIUIKA-NRFANRHFSA-N 0 0 377.419 3.597 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N(C)[C@H]2CCCc3c2cnn3C)c1C ZINC000184050361 883330501 /nfs/dbraw/zinc/33/05/01/883330501.db2.gz OCGPRJOXJQTORT-HNNXBMFYSA-N 0 0 390.871 3.710 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCCOCC(F)(F)F)cc1 ZINC000184665452 883371133 /nfs/dbraw/zinc/37/11/33/883371133.db2.gz KHVAPRXERPOALN-HNNXBMFYSA-N 0 0 377.428 3.671 10 0 GHAERN CC(C)[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1 ZINC000102464377 883426673 /nfs/dbraw/zinc/42/66/73/883426673.db2.gz DBCQTHTZUYMEJT-INIZCTEOSA-N 0 0 387.446 3.959 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2cc(C)ccc2C)c2ccc(F)cc2C1 ZINC000185500807 883462947 /nfs/dbraw/zinc/46/29/47/883462947.db2.gz HFXWOECHLGOEAX-OAQYLSRUSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)c2ccc(F)cc2C1 ZINC000185508393 883547615 /nfs/dbraw/zinc/54/76/15/883547615.db2.gz XNIPQWQDAWNTDL-IBGZPJMESA-N 0 0 398.482 3.820 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)c2ccc(F)cc2C1 ZINC000185543337 883553996 /nfs/dbraw/zinc/55/39/96/883553996.db2.gz CRHMFOGEGHYUGW-FQEVSTJZSA-N 0 0 386.442 3.852 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185547328 883554331 /nfs/dbraw/zinc/55/43/31/883554331.db2.gz SWFVUAGXXGEKTI-ZHRRBRCNSA-N 0 0 382.479 3.922 10 0 GHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185688337 883573740 /nfs/dbraw/zinc/57/37/40/883573740.db2.gz FMCXAHZHVYXRIC-VLIAUNLRSA-N 0 0 376.472 3.521 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c(C)c1O ZINC000185794961 883584973 /nfs/dbraw/zinc/58/49/73/883584973.db2.gz IASPEBXHFDMUIC-UHFFFAOYSA-N 0 0 384.451 3.947 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000186153375 883615531 /nfs/dbraw/zinc/61/55/31/883615531.db2.gz HTMVYTFRYXJRNH-QWQRMKEZSA-N 0 0 386.377 3.540 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000186153336 883615943 /nfs/dbraw/zinc/61/59/43/883615943.db2.gz HTMVYTFRYXJRNH-HBUWYVDXSA-N 0 0 386.377 3.540 10 0 GHAERN CC[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)Oc1ccccc1F ZINC000186580106 883665997 /nfs/dbraw/zinc/66/59/97/883665997.db2.gz DIYUQHZYAZXADV-HNNXBMFYSA-N 0 0 386.427 3.782 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)ccc2NC1=O ZINC000186609567 883673886 /nfs/dbraw/zinc/67/38/86/883673886.db2.gz GQJTZDPMRALIBJ-UZLBHIALSA-N 0 0 394.475 3.953 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)ccc2NC1=O ZINC000186682668 883686307 /nfs/dbraw/zinc/68/63/07/883686307.db2.gz PEANIBXEBVECCF-IEBWSBKVSA-N 0 0 380.448 3.706 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186783651 883702172 /nfs/dbraw/zinc/70/21/72/883702172.db2.gz XUAGKDZTDXEDCO-OALUTQOASA-N 0 0 382.508 3.769 10 0 GHAERN C[C@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccncc1 ZINC000187148502 883753739 /nfs/dbraw/zinc/75/37/39/883753739.db2.gz DUTNNCYZLVXDAZ-HNNXBMFYSA-N 0 0 396.491 3.893 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(COc3ccccc3F)no2)CC1 ZINC000188367674 883836783 /nfs/dbraw/zinc/83/67/83/883836783.db2.gz ONXPJHNHGIDKGS-UHFFFAOYSA-N 0 0 399.397 3.947 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)C(=O)N(C3CC3)C3CCC(C)CC3)c2)no1 ZINC000189072569 883902164 /nfs/dbraw/zinc/90/21/64/883902164.db2.gz DKDPRZCXGYGNSV-UHFFFAOYSA-N 0 0 382.464 3.553 10 0 GHAERN Cc1ccccc1-c1cc(NC(=O)N2CCC(Nc3nccs3)CC2)n(C)n1 ZINC000189379961 883943398 /nfs/dbraw/zinc/94/33/98/883943398.db2.gz YTMMXPCXBJDZHU-UHFFFAOYSA-N 0 0 396.520 3.960 10 0 GHAERN COCCc1ccccc1NC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1 ZINC000189462473 883944992 /nfs/dbraw/zinc/94/49/92/883944992.db2.gz GDXSLVHBAWSYNT-WOJBJXKFSA-N 0 0 396.487 3.686 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2NC1=O ZINC000189791396 883994891 /nfs/dbraw/zinc/99/48/91/883994891.db2.gz KWYBVCNAKDPZDG-AWEZNQCLSA-N 0 0 394.496 3.828 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189793418 883994994 /nfs/dbraw/zinc/99/49/94/883994994.db2.gz CGGUYNOMPFTXDX-APWZRJJASA-N 0 0 390.483 3.990 10 0 GHAERN Cc1nc(COc2ccccc2C(=O)N[C@H]2CCOc3c(C)cccc32)no1 ZINC000189958218 884027096 /nfs/dbraw/zinc/02/70/96/884027096.db2.gz APEHPGYWXXZSSK-KRWDZBQOSA-N 0 0 379.416 3.519 10 0 GHAERN CC(C)Cc1noc(-c2cc(Cl)ccc2NC(=O)N(C)CC2CC(O)C2)n1 ZINC000190073770 884035742 /nfs/dbraw/zinc/03/57/42/884035742.db2.gz YMYMKIUWUPZBDU-UHFFFAOYSA-N 0 0 392.887 3.823 10 0 GHAERN O=C(NCCCCOc1ccc(F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190083151 884037173 /nfs/dbraw/zinc/03/71/73/884037173.db2.gz ZPWYEHBSPSXAGX-UHFFFAOYSA-N 0 0 392.500 3.727 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190082524 884037230 /nfs/dbraw/zinc/03/72/30/884037230.db2.gz FBMWCHJGFVABOY-SZHKYHOKSA-N 0 0 385.464 3.557 10 0 GHAERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)Nc1cccc(-c3ncon3)c1)CC2 ZINC000190011417 884042262 /nfs/dbraw/zinc/04/22/62/884042262.db2.gz SEBIXFPBZONSBR-IBGZPJMESA-N 0 0 390.443 3.602 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000190025177 884043978 /nfs/dbraw/zinc/04/39/78/884043978.db2.gz BGGBBRCDAHLRJN-APWZRJJASA-N 0 0 378.432 3.724 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000190273283 884062947 /nfs/dbraw/zinc/06/29/47/884062947.db2.gz LCZOPZZDCPJHKY-OAHLLOKOSA-N 0 0 393.455 3.778 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@H](Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C1 ZINC000190360485 884071184 /nfs/dbraw/zinc/07/11/84/884071184.db2.gz YFJWWYIAFMMPBB-RYRKJORJSA-N 0 0 392.544 3.608 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@@H](Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C1 ZINC000190360501 884071503 /nfs/dbraw/zinc/07/15/03/884071503.db2.gz YFJWWYIAFMMPBB-BQFCYCMXSA-N 0 0 392.544 3.608 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NCc1cccc(-c3ccccn3)c1)[C@H]2C ZINC000190983048 884135096 /nfs/dbraw/zinc/13/50/96/884135096.db2.gz YQHCBHRYGMHDDX-INIZCTEOSA-N 0 0 390.491 3.750 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@](=O)Cc2ccccc2Cl)cc1 ZINC000191202372 884162487 /nfs/dbraw/zinc/16/24/87/884162487.db2.gz WTSHJQAFAJGEOB-AFMDSPMNSA-N 0 0 391.920 3.961 10 0 GHAERN CCCOc1cc(OC)ccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000191713735 884205567 /nfs/dbraw/zinc/20/55/67/884205567.db2.gz GKQUVJNSWLWUJL-LAUBAEHRSA-N 0 0 397.519 3.519 10 0 GHAERN CC(=O)Nc1ccc(Br)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000192483110 884264613 /nfs/dbraw/zinc/26/46/13/884264613.db2.gz UZNXGUQEVGOUIK-AWEZNQCLSA-N 0 0 388.265 3.861 10 0 GHAERN Cc1nccc(-c2cccc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2)n1 ZINC000193287564 884335870 /nfs/dbraw/zinc/33/58/70/884335870.db2.gz QDWWTQYRQIUXIM-UHFFFAOYSA-N 0 0 386.455 3.827 10 0 GHAERN CCc1cc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)n[nH]1 ZINC000102784902 884452177 /nfs/dbraw/zinc/45/21/77/884452177.db2.gz WJZVIUZTNDATSA-UHFFFAOYSA-N 0 0 375.432 3.760 10 0 GHAERN Cc1ccccc1CC(C)(C)NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000102902055 884610035 /nfs/dbraw/zinc/61/00/35/884610035.db2.gz VTKMDGBYHUCPLN-KRWDZBQOSA-N 0 0 377.492 3.957 10 0 GHAERN COc1cccc2c1OC[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)C2 ZINC000102958505 884656638 /nfs/dbraw/zinc/65/66/38/884656638.db2.gz PYBDLMCTWYOFRX-XLIONFOSSA-N 0 0 378.428 3.681 10 0 GHAERN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)cc1C(N)=O ZINC000105372550 884777029 /nfs/dbraw/zinc/77/70/29/884777029.db2.gz FWOSCAVRRLGNBM-JOCHJYFZSA-N 0 0 385.467 3.836 10 0 GHAERN Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)sc1C ZINC000060390993 884783975 /nfs/dbraw/zinc/78/39/75/884783975.db2.gz BYYDSPONTHCPIG-HQHQJUQOSA-N 0 0 387.549 3.906 10 0 GHAERN O=S(=O)(Cc1csc(C2CCCCC2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105714662 884842104 /nfs/dbraw/zinc/84/21/04/884842104.db2.gz LYAPJDGUMSXTMT-UHFFFAOYSA-N 0 0 393.490 3.949 10 0 GHAERN CCOc1ccc(C(=O)N2CCC(NC(=O)N3CCC[C@@H]3C3CCC3)CC2)cc1 ZINC000102902337 885978609 /nfs/dbraw/zinc/97/86/09/885978609.db2.gz YPMSHKMHHCSFIZ-OAQYLSRUSA-N 0 0 399.535 3.664 10 0 GHAERN CCOc1cccc([C@H](C)NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000105203251 886012905 /nfs/dbraw/zinc/01/29/05/886012905.db2.gz NDNBXXZJAHRSDB-IFXJQAMLSA-N 0 0 379.464 3.662 10 0 GHAERN CN(C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1)[C@@H](c1ccccc1)c1ccccn1 ZINC000109072275 886099324 /nfs/dbraw/zinc/09/93/24/886099324.db2.gz NIKYNMPJBHRINC-FPOVZHCZSA-N 0 0 393.531 3.914 10 0 GHAERN COc1cc(Cl)ccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000109280097 886111008 /nfs/dbraw/zinc/11/10/08/886111008.db2.gz GPSQSTGOMIBWFJ-UHFFFAOYSA-N 0 0 378.900 3.603 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000109669984 886148507 /nfs/dbraw/zinc/14/85/07/886148507.db2.gz DUPUCJNGIIWTBE-OAQYLSRUSA-N 0 0 397.519 3.691 10 0 GHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@H](c2nncn2C(C)C)C1 ZINC000109999366 886167093 /nfs/dbraw/zinc/16/70/93/886167093.db2.gz JWDGLPLMKVNSQQ-FSNWXROXSA-N 0 0 388.899 3.940 10 0 GHAERN CC(=O)c1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n(C)c1 ZINC000113219698 886288638 /nfs/dbraw/zinc/28/86/38/886288638.db2.gz ZAJIGTFMMBRYGR-KRWDZBQOSA-N 0 0 376.460 3.638 10 0 GHAERN C[C@@H](c1nc(-c2ccccc2)no1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000114722640 886323903 /nfs/dbraw/zinc/32/39/03/886323903.db2.gz LZUMAEGOZMULME-HNNXBMFYSA-N 0 0 382.489 3.707 10 0 GHAERN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117641909 886390015 /nfs/dbraw/zinc/39/00/15/886390015.db2.gz WHQZWPAJVLEEQX-FOIQADDNSA-N 0 0 396.512 3.687 10 0 GHAERN CN(C)C(=O)COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118010982 886399696 /nfs/dbraw/zinc/39/96/96/886399696.db2.gz MALSBXOXXMKBBR-UHFFFAOYSA-N 0 0 385.489 3.536 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1 ZINC000119914787 886489037 /nfs/dbraw/zinc/48/90/37/886489037.db2.gz SGSSUXGLGANBHI-CJNGLKHVSA-N 0 0 387.480 3.611 10 0 GHAERN CCO[C@H](C)c1noc(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120823041 886532090 /nfs/dbraw/zinc/53/20/90/886532090.db2.gz WUMCYBPINHNTIO-WBVHZDCISA-N 0 0 381.480 3.937 10 0 GHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124210185 886719528 /nfs/dbraw/zinc/71/95/28/886719528.db2.gz HEMHBOWTCDDCCH-MSOLQXFVSA-N 0 0 383.427 3.794 10 0 GHAERN COc1cccc(C(=O)NC2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000041995132 886740439 /nfs/dbraw/zinc/74/04/39/886740439.db2.gz FBKNAAPNOGUZEE-UHFFFAOYSA-N 0 0 390.842 3.522 10 0 GHAERN COc1ccc(C[C@H](C)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000124458741 886751912 /nfs/dbraw/zinc/75/19/12/886751912.db2.gz LZKXYOOAPFXBPJ-SFHVURJKSA-N 0 0 386.536 3.515 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC2(c3ccccc3F)CC2)c2ccccc2F)no1 ZINC000124507760 886760039 /nfs/dbraw/zinc/76/00/39/886760039.db2.gz FCTLKMWNTBBXIK-KRWDZBQOSA-N 0 0 384.386 3.734 10 0 GHAERN O=C(c1cccc(N2CCOC2=O)c1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000124599644 886769189 /nfs/dbraw/zinc/76/91/89/886769189.db2.gz GVGPDQJMZQDJOQ-SFHVURJKSA-N 0 0 386.835 3.590 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccncc1 ZINC000042715987 886808703 /nfs/dbraw/zinc/80/87/03/886808703.db2.gz PDVSOSDKBDFKEW-UHFFFAOYSA-N 0 0 385.467 3.783 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000125636755 886887392 /nfs/dbraw/zinc/88/73/92/886887392.db2.gz NVPGNNZBBQVEFJ-AWEZNQCLSA-N 0 0 381.432 3.564 10 0 GHAERN O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(c2ccnn2CCO)CC1 ZINC000126416188 886967867 /nfs/dbraw/zinc/96/78/67/886967867.db2.gz JRRSQCXGZHNSRX-UHFFFAOYSA-N 0 0 391.471 3.688 10 0 GHAERN CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000126681592 886994225 /nfs/dbraw/zinc/99/42/25/886994225.db2.gz ANBAUNKQENZXEK-QGZVFWFLSA-N 0 0 387.867 3.767 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000127603533 887083587 /nfs/dbraw/zinc/08/35/87/887083587.db2.gz CTWHPXPAKKNYQR-DYVFJYSZSA-N 0 0 393.940 3.771 10 0 GHAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCC(Nc2ccccc2F)CC1 ZINC000127744285 887095824 /nfs/dbraw/zinc/09/58/24/887095824.db2.gz UCLYOKHLQHYLRD-UHFFFAOYSA-N 0 0 385.414 3.566 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)ccc1F ZINC000128060894 887141513 /nfs/dbraw/zinc/14/15/13/887141513.db2.gz XJIPMZBJMFCZKA-JCOOBLOPSA-N 0 0 383.398 3.626 10 0 GHAERN Cc1ccc(C)c([C@H]2CCCN2C(=O)NC2CCN(c3ncccn3)CC2)c1 ZINC000128074871 887143970 /nfs/dbraw/zinc/14/39/70/887143970.db2.gz CQWHBTTUJXFCAI-HXUWFJFHSA-N 0 0 379.508 3.609 10 0 GHAERN C[C@H](NC(=O)c1cc(Br)cnc1Cl)[C@@H]1COc2ccccc21 ZINC000128436094 887186473 /nfs/dbraw/zinc/18/64/73/887186473.db2.gz IYYXBTHCSUOQTI-ZANVPECISA-N 0 0 381.657 3.792 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1F ZINC000046755819 887225726 /nfs/dbraw/zinc/22/57/26/887225726.db2.gz NJWGETDLZINYAR-UHFFFAOYSA-N 0 0 394.368 3.879 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1c(C)noc1C ZINC000128933918 887243731 /nfs/dbraw/zinc/24/37/31/887243731.db2.gz KQIBPECTQDWVOT-QYZOEREBSA-N 0 0 399.491 3.731 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)nc1 ZINC000129598563 887322177 /nfs/dbraw/zinc/32/21/77/887322177.db2.gz QHVBVFHEFUSEDD-UXHICEINSA-N 0 0 377.488 3.679 10 0 GHAERN O=C(NCCSc1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000048140892 887413257 /nfs/dbraw/zinc/41/32/57/887413257.db2.gz XTOGWYKRBZWXJT-UHFFFAOYSA-N 0 0 389.565 3.649 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)s1 ZINC000130621347 887458023 /nfs/dbraw/zinc/45/80/23/887458023.db2.gz KUKHQNMXCHEJIF-OALUTQOASA-N 0 0 382.529 3.889 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)c(C)o1 ZINC000131204755 887518426 /nfs/dbraw/zinc/51/84/26/887518426.db2.gz ZZUCHLNEFWACOC-RTWAWAEBSA-N 0 0 380.488 3.729 10 0 GHAERN CC(C)(C)n1ncc2c1ncn(Cc1ncc(-c3ccccc3Cl)o1)c2=O ZINC000131424569 887542024 /nfs/dbraw/zinc/54/20/24/887542024.db2.gz VHQJMWXWJULRJV-UHFFFAOYSA-N 0 0 383.839 3.705 10 0 GHAERN Cc1csc(=O)n1CCC(=O)Nc1ccccc1N1CCc2sccc2C1 ZINC000049742564 887587254 /nfs/dbraw/zinc/58/72/54/887587254.db2.gz SURDGOZPCDJACY-UHFFFAOYSA-N 0 0 399.541 3.871 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1OC ZINC000132384098 887650897 /nfs/dbraw/zinc/65/08/97/887650897.db2.gz ABYVNSVGVLIJQL-UHFFFAOYSA-N 0 0 376.403 3.699 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(C)n(Cc4ccccn4)c3C)CCO2)o1 ZINC000133561523 887776132 /nfs/dbraw/zinc/77/61/32/887776132.db2.gz YQUXHMUJOXGBHV-OAQYLSRUSA-N 0 0 379.460 3.663 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(C)n(Cc4ccccn4)c3C)CCO2)o1 ZINC000133561299 887776259 /nfs/dbraw/zinc/77/62/59/887776259.db2.gz YQUXHMUJOXGBHV-NRFANRHFSA-N 0 0 379.460 3.663 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)CC1 ZINC000133938549 887816975 /nfs/dbraw/zinc/81/69/75/887816975.db2.gz JBKNZIFZKOGJML-VOTSOKGWSA-N 0 0 380.488 3.943 10 0 GHAERN CCCCCOc1ccc(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000134291561 887848791 /nfs/dbraw/zinc/84/87/91/887848791.db2.gz HYRDRETZSHZPHE-AZUAARDMSA-N 0 0 385.508 3.575 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCCC3)cc1OCC ZINC000135404878 888236970 /nfs/dbraw/zinc/23/69/70/888236970.db2.gz MLPLJYMPOCYQJN-TYZQSYOASA-N 0 0 398.507 3.693 10 0 GHAERN O=C(c1cccc(Br)n1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000136859809 888318840 /nfs/dbraw/zinc/31/88/40/888318840.db2.gz LITOMIXAAPPTJL-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000137107948 888334921 /nfs/dbraw/zinc/33/49/21/888334921.db2.gz YWVFEHZWBMUFDX-OAHLLOKOSA-N 0 0 388.855 3.769 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000056402025 888360891 /nfs/dbraw/zinc/36/08/91/888360891.db2.gz VGHZAABVPHTFOP-VMPITWQZSA-N 0 0 382.460 3.501 10 0 GHAERN CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1 ZINC000056488644 888363278 /nfs/dbraw/zinc/36/32/78/888363278.db2.gz ODTPSGACGBOUHC-QAPCUYQASA-N 0 0 380.492 3.629 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000057603144 888410340 /nfs/dbraw/zinc/41/03/40/888410340.db2.gz CSQRMVMQRPZYFJ-HNNXBMFYSA-N 0 0 382.416 3.564 10 0 GHAERN COc1ccccc1N1CCC(NC(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000138612827 888413629 /nfs/dbraw/zinc/41/36/29/888413629.db2.gz AAXJWKLDDODXDI-NFBKMPQASA-N 0 0 394.515 3.948 10 0 GHAERN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000193743470 888520411 /nfs/dbraw/zinc/52/04/11/888520411.db2.gz KYAOJESRJZATSX-ZPMCFJSWSA-N 0 0 390.487 3.955 10 0 GHAERN COc1cc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)ccc1Cl ZINC000194376700 888580365 /nfs/dbraw/zinc/58/03/65/888580365.db2.gz VXCGLUWLKPKYKQ-ZDUSSCGKSA-N 0 0 385.855 3.803 10 0 GHAERN O=C(Nc1ccc(-c2cnco2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000194664381 888604345 /nfs/dbraw/zinc/60/43/45/888604345.db2.gz DZFRNGHKCCATAQ-UHFFFAOYSA-N 0 0 381.457 3.894 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000245474846 888769926 /nfs/dbraw/zinc/76/99/26/888769926.db2.gz RHFVDBQDKSJKEV-BHIFYINESA-N 0 0 398.478 3.811 10 0 GHAERN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245639410 889130851 /nfs/dbraw/zinc/13/08/51/889130851.db2.gz KFWNESXUNGIADD-UZKOGDIHSA-N 0 0 391.515 3.623 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC000245679986 889212198 /nfs/dbraw/zinc/21/21/98/889212198.db2.gz JUQBWDBLGOWNLX-OIISXLGYSA-N 0 0 390.553 3.724 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 ZINC000245917509 890011094 /nfs/dbraw/zinc/01/10/94/890011094.db2.gz FSVYXXOKSNERAD-BHYGNILZSA-N 0 0 387.505 3.501 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245920800 890017456 /nfs/dbraw/zinc/01/74/56/890017456.db2.gz HAULDCHQKRKYDN-XYEHWOGUSA-N 0 0 389.499 3.649 10 0 GHAERN O=C(NCc1ccccn1)c1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000245921726 890019152 /nfs/dbraw/zinc/01/91/52/890019152.db2.gz QZMMHJZVPDSEOJ-PWRODBHTSA-N 0 0 377.488 3.771 10 0 GHAERN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246091120 890342301 /nfs/dbraw/zinc/34/23/01/890342301.db2.gz NCOLKBWXNPHCRQ-SJLPKXTDSA-N 0 0 389.503 3.973 10 0 GHAERN CCCN1Cc2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761296 891128796 /nfs/dbraw/zinc/12/87/96/891128796.db2.gz SXTOOJFSKYSJHB-LJQANCHMSA-N 0 0 381.501 3.854 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067047745 891140693 /nfs/dbraw/zinc/14/06/93/891140693.db2.gz NZDCDZAISIPBIM-GOSISDBHSA-N 0 0 386.517 3.840 10 0 GHAERN CC(C)(C)OC(=O)NC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCC1 ZINC000067048688 891140829 /nfs/dbraw/zinc/14/08/29/891140829.db2.gz KDTKNWHWJGVHBS-CQSZACIVSA-N 0 0 379.526 3.687 10 0 GHAERN O=C(c1ccc(CSc2nc[nH]n2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000068355291 891176690 /nfs/dbraw/zinc/17/66/90/891176690.db2.gz UXMKTTQYQCJXGC-HNNXBMFYSA-N 0 0 385.518 3.573 10 0 GHAERN O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246488331 891274000 /nfs/dbraw/zinc/27/40/00/891274000.db2.gz RSJXTNVEBZQTTH-ZCNNSNEGSA-N 0 0 375.415 3.503 10 0 GHAERN C[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[C@H]1COc2ccccc21 ZINC000246851052 891316362 /nfs/dbraw/zinc/31/63/62/891316362.db2.gz QOVDUIWFXQYYSX-GNSUPJDDSA-N 0 0 398.478 3.845 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1)C1CC1 ZINC000247009536 891332161 /nfs/dbraw/zinc/33/21/61/891332161.db2.gz UJGQFYUOUBEMRU-PWRODBHTSA-N 0 0 397.519 3.667 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247343092 891369671 /nfs/dbraw/zinc/36/96/71/891369671.db2.gz YTSMTRAFAQLYSU-CGTJXYLNSA-N 0 0 387.911 3.745 10 0 GHAERN C[C@H](O)c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cc1 ZINC000247651826 891391037 /nfs/dbraw/zinc/39/10/37/891391037.db2.gz WLOXYENVHQGGGR-USCONSEESA-N 0 0 390.487 3.664 10 0 GHAERN CC(C)(C)Sc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247677559 891391695 /nfs/dbraw/zinc/39/16/95/891391695.db2.gz ZHFRLXOAFRRDGZ-GVDBMIGSSA-N 0 0 376.522 3.590 10 0 GHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248431241 891436849 /nfs/dbraw/zinc/43/68/49/891436849.db2.gz SUNXYVYSUAHHKV-GXTWGEPZSA-N 0 0 387.427 3.537 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000249171520 891500457 /nfs/dbraw/zinc/50/04/57/891500457.db2.gz LJGZAYFANKFQFV-WTGUMLROSA-N 0 0 386.517 3.561 10 0 GHAERN C[C@](O)(CCNC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000251858119 891657058 /nfs/dbraw/zinc/65/70/58/891657058.db2.gz RNMJOCDBDLOGME-OPYAIIAOSA-N 0 0 388.533 3.643 10 0 GHAERN C[C@H](C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1ccc2ccccc2c1 ZINC000252647386 891717676 /nfs/dbraw/zinc/71/76/76/891717676.db2.gz JMMGDGVQZDWKLN-ORYQWCPZSA-N 0 0 377.488 3.649 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)C2)c1 ZINC000253551901 891880366 /nfs/dbraw/zinc/88/03/66/891880366.db2.gz YIZYDXMBBRRFNK-HUUCEWRRSA-N 0 0 379.460 3.903 10 0 GHAERN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000253558931 891881391 /nfs/dbraw/zinc/88/13/91/891881391.db2.gz PKKPMQLVKAYLPN-POZUXBRTSA-N 0 0 380.492 3.522 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@H]1C1CCCCC1 ZINC000079951995 892759375 /nfs/dbraw/zinc/75/93/75/892759375.db2.gz GRNIFSMABSQHHX-ROUUACIJSA-N 0 0 376.522 3.659 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000105103969 898189099 /nfs/dbraw/zinc/18/90/99/898189099.db2.gz ANKCAUQCOSCEPR-UHFFFAOYSA-N 0 0 381.524 3.631 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000105187927 898200313 /nfs/dbraw/zinc/20/03/13/898200313.db2.gz FRCNWNOKQTWVFQ-GOSISDBHSA-N 0 0 384.499 3.711 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000076956686 901261153 /nfs/dbraw/zinc/26/11/53/901261153.db2.gz JVOYVUGCIFTUAR-IHPCNDPISA-N 0 0 378.520 3.823 10 0 GHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000333513437 902150266 /nfs/dbraw/zinc/15/02/66/902150266.db2.gz FOXBEPVUMAIYKR-WBVHZDCISA-N 0 0 381.480 3.538 10 0 GHAERN CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000333561763 902190893 /nfs/dbraw/zinc/19/08/93/902190893.db2.gz RQPUJJPHQYLBPR-AWEZNQCLSA-N 0 0 378.542 3.571 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333625613 902232306 /nfs/dbraw/zinc/23/23/06/902232306.db2.gz AKJQCYRALFEXEG-ZWOKBUDYSA-N 0 0 376.460 3.650 10 0 GHAERN O[C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@@H]2C1 ZINC000334114797 902563023 /nfs/dbraw/zinc/56/30/23/902563023.db2.gz GHBSGXYNGZTDDN-HRCADAONSA-N 0 0 392.528 3.839 10 0 GHAERN CCOCCOCCOC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000103643546 904395638 /nfs/dbraw/zinc/39/56/38/904395638.db2.gz ZEJFISDDBCINFM-UHFFFAOYSA-N 0 0 377.384 3.833 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1)c1cccs1 ZINC000183066096 907320245 /nfs/dbraw/zinc/32/02/45/907320245.db2.gz BBYSDIYMVMEYFL-HNNXBMFYSA-N 0 0 396.476 3.878 10 0 GHAERN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184143424 907523849 /nfs/dbraw/zinc/52/38/49/907523849.db2.gz DCTCZWMPMDXLTR-INIZCTEOSA-N 0 0 390.438 3.832 10 0 GHAERN Cc1cc(Br)c(F)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184833969 907666289 /nfs/dbraw/zinc/66/62/89/907666289.db2.gz XNNIRYDHVIGECF-CYBMUJFWSA-N 0 0 382.237 3.774 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CSCC(=O)Nc2cccc(C)c2)cs1 ZINC000187115571 908040306 /nfs/dbraw/zinc/04/03/06/908040306.db2.gz IJBWRNWMVASVRF-KRWDZBQOSA-N 0 0 389.546 3.795 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000189093624 908283053 /nfs/dbraw/zinc/28/30/53/908283053.db2.gz ZKGFSUCEDBGTDF-DZGCQCFKSA-N 0 0 381.885 3.502 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 ZINC000189091938 908283090 /nfs/dbraw/zinc/28/30/90/908283090.db2.gz FAJWMJKTHYKFOH-UGTRGGQESA-N 0 0 395.381 3.789 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)C1 ZINC000189123476 908286567 /nfs/dbraw/zinc/28/65/67/908286567.db2.gz LSCVTOIHHWBCAF-MGPUTAFESA-N 0 0 392.459 3.714 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000189424970 908319951 /nfs/dbraw/zinc/31/99/51/908319951.db2.gz SPDKGGVAHJJHQO-GXFFZTMASA-N 0 0 388.321 3.530 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000190009779 908402283 /nfs/dbraw/zinc/40/22/83/908402283.db2.gz QDVMVBKTWDUAFE-IRXDYDNUSA-N 0 0 389.883 3.832 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(C)cc32)C1 ZINC000190042054 908410073 /nfs/dbraw/zinc/41/00/73/908410073.db2.gz LSCVTOIHHWBCAF-QRWLVFNGSA-N 0 0 392.459 3.714 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000190079737 908422045 /nfs/dbraw/zinc/42/20/45/908422045.db2.gz NEMMMLCATOQMCQ-HZPDHXFCSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(SC)c(Cl)c2)C1 ZINC000190132792 908435645 /nfs/dbraw/zinc/43/56/45/908435645.db2.gz DEWKBCKKLSWPGH-DGCLKSJQSA-N 0 0 382.873 3.747 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000192371640 908770118 /nfs/dbraw/zinc/77/01/18/908770118.db2.gz NMNREJWNMFITCM-JEBQAFNWSA-N 0 0 386.496 3.908 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192419494 908784210 /nfs/dbraw/zinc/78/42/10/908784210.db2.gz YUIBQPFHUNKELJ-ZDUSSCGKSA-N 0 0 378.274 3.622 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCCOc4c(F)cccc43)CCO2)n1 ZINC000194352061 908938307 /nfs/dbraw/zinc/93/83/07/908938307.db2.gz HQKJMVCYJKBUIX-CVEARBPZSA-N 0 0 391.468 3.587 10 0 GHAERN CCS[C@@H](C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C)C(C)C ZINC000103816527 911201490 /nfs/dbraw/zinc/20/14/90/911201490.db2.gz RHMOCABNICSSTE-SJLPKXTDSA-N 0 0 380.554 3.731 10 0 GHAERN CCS[C@H](C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C)C(C)C ZINC000103816519 911201757 /nfs/dbraw/zinc/20/17/57/911201757.db2.gz RHMOCABNICSSTE-WMZOPIPTSA-N 0 0 380.554 3.731 10 0 GHAERN CC(C)N(C(=O)c1ccc(-c2ncn(C)n2)cc1)[C@@H]1CCCc2cccnc21 ZINC000368480714 922703540 /nfs/dbraw/zinc/70/35/40/922703540.db2.gz CBCCXRVUZJXDMS-LJQANCHMSA-N 0 0 375.476 3.805 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184028211 1014571321 /nfs/dbraw/zinc/57/13/21/1014571321.db2.gz RZLWTICFVFWICX-RTWAWAEBSA-N 0 0 398.482 3.807 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC2(c3cccc(F)c3)CC2)c2ccc(F)cc2C1 ZINC000185255607 1014577108 /nfs/dbraw/zinc/57/71/08/1014577108.db2.gz FIROINIPTPDSNP-HXUWFJFHSA-N 0 0 399.441 3.747 10 0 GHAERN CCC(=O)N1CCN(C(=O)c2cc3ccoc3n2[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000004807027 206555831 /nfs/dbraw/zinc/55/58/31/206555831.db2.gz GEHBDUIOLPHIFF-IRXDYDNUSA-N 0 0 393.487 3.927 10 0 GHAERN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)NC[C@H]1CCCO1 ZINC000005053134 206587507 /nfs/dbraw/zinc/58/75/07/206587507.db2.gz WLLIXQPUDXUSQX-XLIONFOSSA-N 0 0 396.512 3.552 10 0 GHAERN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(N)=S)cc1OC ZINC000005527340 206618118 /nfs/dbraw/zinc/61/81/18/206618118.db2.gz DMNNVKHFFKKNGF-HNNXBMFYSA-N 0 0 375.881 3.752 10 0 GHAERN CCOc1cc(C[NH2+]Cc2ccc(C(=O)[O-])s2)cc(OCC)c1OCC ZINC000006895927 206691915 /nfs/dbraw/zinc/69/19/15/206691915.db2.gz OLCNVOAQVPBEPH-UHFFFAOYSA-N 0 0 379.478 3.932 10 0 GHAERN COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)nc3ncnc(N)c32)c1 ZINC000009694483 206798247 /nfs/dbraw/zinc/79/82/47/206798247.db2.gz HKNGLPXZHFAIPH-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Cc1ccc(Cl)cc1N1CCN(c2nncc(-c3cccc(F)c3)n2)CC1 ZINC000011937569 206844774 /nfs/dbraw/zinc/84/47/74/206844774.db2.gz ZKEJKMFKGISLBJ-UHFFFAOYSA-N 0 0 383.858 3.966 10 0 GHAERN O=C(NC[C@@H]1CC12CCCCC2)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000012386148 206891977 /nfs/dbraw/zinc/89/19/77/206891977.db2.gz SIUKBCLFJUHCOS-AWEZNQCLSA-N 0 0 384.432 3.683 10 0 GHAERN COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)s2)cc1 ZINC000015823109 207062698 /nfs/dbraw/zinc/06/26/98/207062698.db2.gz MIQYYSLYDMGQRY-UHFFFAOYSA-N 0 0 383.498 3.895 10 0 GHAERN C[N@@H+]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020335458 207189095 /nfs/dbraw/zinc/18/90/95/207189095.db2.gz LKHNLLDWJZXKIH-QPJJXVBHSA-N 0 0 376.865 3.740 10 0 GHAERN O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCc1cccs1 ZINC000020579289 207204508 /nfs/dbraw/zinc/20/45/08/207204508.db2.gz AZWXFKIVSRJQRG-UHFFFAOYSA-N 0 0 393.468 3.879 10 0 GHAERN Cc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1NC(=O)c1cccs1 ZINC000020899618 207218531 /nfs/dbraw/zinc/21/85/31/207218531.db2.gz IAFFGQAVFZSBJJ-UHFFFAOYSA-N 0 0 398.465 3.837 10 0 GHAERN CC(=O)SCCCCCCCCCCCOCCOCCOCCO ZINC000022061793 207247067 /nfs/dbraw/zinc/24/70/67/207247067.db2.gz YDADHEIFTCDFFX-UHFFFAOYSA-N 0 0 378.575 3.819 10 0 in-vitro GHAERN Cc1cc(S(N)(=O)=O)cc(N[C@@H](C)c2ccc(Br)s2)c1C ZINC000038002579 207251298 /nfs/dbraw/zinc/25/12/98/207251298.db2.gz XZENTDYHMIYDJF-JTQLQIEISA-N 0 0 389.340 3.948 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000045398390 207659193 /nfs/dbraw/zinc/65/91/93/207659193.db2.gz OIBGFHYGSTYVJN-KRWDZBQOSA-N 0 0 376.497 3.691 10 0 GHAERN CCn1ccnc1CNc1cc(Br)cnc1OCC(F)(F)F ZINC000089310015 208103927 /nfs/dbraw/zinc/10/39/27/208103927.db2.gz YLNUQYFLBBEWRL-UHFFFAOYSA-N 0 0 379.180 3.614 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H](C[S@](=O)Cc2cnc(Cl)s2)C1 ZINC000095085661 208153161 /nfs/dbraw/zinc/15/31/61/208153161.db2.gz OGJOCMWFKCLPBY-QVQLBTGDSA-N 0 0 378.947 3.692 10 0 GHAERN CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2F)c(N2CCCCC2)c1 ZINC000065165749 136159702 /nfs/dbraw/zinc/15/97/02/136159702.db2.gz CDZMNHYUABDIDY-UHFFFAOYSA-N 0 0 387.430 3.844 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CCCN(c3cnc4nccnc4c3)C2)cc1Cl ZINC000065226986 136160478 /nfs/dbraw/zinc/16/04/78/136160478.db2.gz MUFOYHRENLHKON-AWEZNQCLSA-N 0 0 381.867 3.842 10 0 GHAERN CC(C)(C)OC(=O)NC1CCN(c2nc3ccccc3nc2NC2CC2)CC1 ZINC000095087260 534872099 /nfs/dbraw/zinc/87/20/99/534872099.db2.gz VYBJOEHSBAOPHG-UHFFFAOYSA-N 0 0 383.496 3.698 10 0 GHAERN CCOC(=O)c1c(Br)ncc2c1CCN(Cc1ccccc1)C2 ZINC000503851317 528117041 /nfs/dbraw/zinc/11/70/41/528117041.db2.gz GCLGHIVVCZWVQE-UHFFFAOYSA-N 0 0 375.266 3.579 10 0 GHAERN CO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3C(=O)N2C1 ZINC000006735424 560206366 /nfs/dbraw/zinc/20/63/66/560206366.db2.gz IEAGGJWFSGACFO-PBHICJAKSA-N 0 0 390.361 3.554 10 0 biogenic GHAERN CCS[C@H]1CCN2C(=O)c3cc(-c4ccc(OC)cc4)ccc3NC(=O)[C@H]12 ZINC000008297150 560208093 /nfs/dbraw/zinc/20/80/93/560208093.db2.gz LGXDBVRTNCLREQ-OALUTQOASA-N 0 0 382.485 3.651 10 0 biogenic GHAERN Cc1ccc2nc(-c3cnc(N)nc3)c(C)c(C(=O)N3CCCCCC3)c2c1 ZINC000023398505 570360940 /nfs/dbraw/zinc/36/09/40/570360940.db2.gz SLBQPMXNNOGSKK-UHFFFAOYSA-N 0 0 375.476 3.907 10 0 GHAERN CCNC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@H](C)CC ZINC000004927626 570370881 /nfs/dbraw/zinc/37/08/81/570370881.db2.gz VYMZRVIOAAUFBQ-GOSISDBHSA-N 0 0 385.508 3.681 10 0 GHAERN CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971537 570386314 /nfs/dbraw/zinc/38/63/14/570386314.db2.gz JIJARVWADFDTHK-UHFFFAOYSA-N 0 0 398.528 3.587 10 0 GHAERN COCCOc1c(C[NH2+]C2CCCCC2)c(C)nn1-c1ccc(F)cc1F ZINC000536555950 570465338 /nfs/dbraw/zinc/46/53/38/570465338.db2.gz MDFMAXZVLPFJCP-UHFFFAOYSA-N 0 0 379.451 3.906 10 0 GHAERN CC[C@H](C)N(Cc1nc(C(=O)N(C)CC)co1)Cc1ccc(OC)cc1OC ZINC000036082594 570529056 /nfs/dbraw/zinc/52/90/56/570529056.db2.gz NNLGLPLDSJGAOE-HNNXBMFYSA-N 0 0 389.496 3.584 10 0 GHAERN Cc1nn(-c2cccc(C)c2)c2nc(N3CCN(C(=O)C4CCC4)CC3)sc12 ZINC000065297260 570786896 /nfs/dbraw/zinc/78/68/96/570786896.db2.gz MKRSIXGPSJORHC-UHFFFAOYSA-N 0 0 395.532 3.548 10 0 GHAERN CCCc1nc(CN2CCC(OC)(c3nc(-c4ccccn4)no3)CC2)cs1 ZINC000583615952 570801621 /nfs/dbraw/zinc/80/16/21/570801621.db2.gz VWHBWTISOMWOCW-UHFFFAOYSA-N 0 0 399.520 3.678 10 0 GHAERN CN(C(=O)NCc1ccccc1)c1nc2c(s1)CN(Cc1ccccc1)C2=O ZINC000065273950 570934300 /nfs/dbraw/zinc/93/43/00/570934300.db2.gz NUZDMBOGIRVMDV-UHFFFAOYSA-N 0 0 392.484 3.645 10 0 GHAERN CC(=O)c1ccc(N2CCN([C@@H](C)c3nnc(-c4ccccc4)o3)CC2)c(F)c1 ZINC000105136766 837517999 /nfs/dbraw/zinc/51/79/99/837517999.db2.gz YLLTVJLSULADMH-HNNXBMFYSA-N 0 0 394.450 3.962 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 ZINC000106042062 837664507 /nfs/dbraw/zinc/66/45/07/837664507.db2.gz POKWEYLRCGVPQP-UHFFFAOYSA-N 0 0 393.447 3.688 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1nccs1 ZINC000105995312 837673589 /nfs/dbraw/zinc/67/35/89/837673589.db2.gz WSBAWFFIUXNOGN-QMTHXVAHSA-N 0 0 398.315 3.932 10 0 GHAERN Cc1csc(C2CCN([C@@H](C)C(=O)N3CCc4sccc4C3)CC2)n1 ZINC000156682584 834501246 /nfs/dbraw/zinc/50/12/46/834501246.db2.gz INKLUIDTTVMDSO-AWEZNQCLSA-N 0 0 375.563 3.666 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000156840422 834596294 /nfs/dbraw/zinc/59/62/94/834596294.db2.gz YJXKPZGZILDHFO-UHFFFAOYSA-N 0 0 382.386 3.805 10 0 GHAERN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCc2cncnc2C1 ZINC000329315496 834835305 /nfs/dbraw/zinc/83/53/05/834835305.db2.gz BAADFXGORRUYGR-HZPDHXFCSA-N 0 0 376.485 3.721 10 0 GHAERN C[C@@H]1CCCC[C@H]1c1noc(CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)n1 ZINC000329372372 834930147 /nfs/dbraw/zinc/93/01/47/834930147.db2.gz BBYAKKXFHIFFFM-DOQJBMMISA-N 0 0 394.475 3.862 10 0 GHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Oc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000588616339 835036326 /nfs/dbraw/zinc/03/63/26/835036326.db2.gz SPXFPYZBAVKBSG-OWBHPGMISA-N 0 0 399.447 3.800 10 0 GHAERN Brc1ccc(-c2nc(CN3CCC(n4cncn4)CC3)co2)cc1 ZINC000157763221 835081082 /nfs/dbraw/zinc/08/10/82/835081082.db2.gz ATJFENAWYFLQPZ-UHFFFAOYSA-N 0 0 388.269 3.533 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)N3CCc4cncnc4C3)c2C2CC2)cc1Cl ZINC000329461922 835084297 /nfs/dbraw/zinc/08/42/97/835084297.db2.gz SZWOZWSIWKJERZ-UHFFFAOYSA-N 0 0 393.878 3.700 10 0 GHAERN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000333133018 844054134 /nfs/dbraw/zinc/05/41/34/844054134.db2.gz BDSBFOLOHZIXAI-FGTMMUONSA-N 0 0 399.535 3.716 10 0 GHAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000329656541 835540820 /nfs/dbraw/zinc/54/08/20/835540820.db2.gz MOVIAQUHVSGUFW-DOTOQJQBSA-N 0 0 377.554 3.620 10 0 GHAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000329656542 835540919 /nfs/dbraw/zinc/54/09/19/835540919.db2.gz MOVIAQUHVSGUFW-NVXWUHKLSA-N 0 0 377.554 3.620 10 0 GHAERN COc1ccc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)cc1-c1ccccn1 ZINC000329747388 835857915 /nfs/dbraw/zinc/85/79/15/835857915.db2.gz ZIGWBNXCPGCQMM-UZLBHIALSA-N 0 0 392.459 3.733 10 0 GHAERN Fc1ccc(C2(c3nc([C@H]4CN5CCC[C@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748453 835860700 /nfs/dbraw/zinc/86/07/00/835860700.db2.gz ZZGYEJHAUADZAU-WMLDXEAASA-N 0 0 375.419 3.744 10 0 GHAERN O=c1ccc2cc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 ZINC000329914527 836017531 /nfs/dbraw/zinc/01/75/31/836017531.db2.gz XWAHEEYMQIRVND-JSGCOSHPSA-N 0 0 388.411 3.587 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCCN(c3nccs3)CC2)c2ccccc2O1 ZINC000177593385 838026680 /nfs/dbraw/zinc/02/66/80/838026680.db2.gz HLIGBOMEEBGYSB-MRXNPFEDSA-N 0 0 386.521 3.667 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c1Br ZINC000408055819 838085153 /nfs/dbraw/zinc/08/51/53/838085153.db2.gz AUPHXTIVGKLDNU-VEVIJQCQSA-N 0 0 398.345 3.841 10 0 GHAERN CC(C)(C)c1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n(-c2ncccn2)n1 ZINC000333214726 844303762 /nfs/dbraw/zinc/30/37/62/844303762.db2.gz UQADTORYVCWIEZ-YDGQEPMXSA-N 0 0 394.523 3.860 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)c3c2CCC3)cc1 ZINC000113892989 838431185 /nfs/dbraw/zinc/43/11/85/838431185.db2.gz NNVQSGBTVKCMQC-LJQANCHMSA-N 0 0 375.476 3.760 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000179775719 838438859 /nfs/dbraw/zinc/43/88/59/838438859.db2.gz XTFWIODMUXIASP-IEBWSBKVSA-N 0 0 395.434 3.705 10 0 GHAERN CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328680305 838446500 /nfs/dbraw/zinc/44/65/00/838446500.db2.gz BYEAKJMCMJHBJO-ORAYPTAESA-N 0 0 378.879 3.889 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)N4CCC[C@H](C)C4)CC3)cc2c1 ZINC000041471135 838630624 /nfs/dbraw/zinc/63/06/24/838630624.db2.gz FGVODFSQKRIKOU-KRWDZBQOSA-N 0 0 393.531 3.962 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCCCc2c[nH]c3ccccc23)c2ccccc2)[nH]1 ZINC000107852094 838857123 /nfs/dbraw/zinc/85/71/23/838857123.db2.gz PUABYNHCOYVMLF-HXUWFJFHSA-N 0 0 388.475 3.616 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)oc2c1c(C)ccc2C ZINC000111662065 839295779 /nfs/dbraw/zinc/29/57/79/839295779.db2.gz RMXMOIBLMKSFLT-MRXNPFEDSA-N 0 0 386.517 3.538 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)s1 ZINC000116998827 839520513 /nfs/dbraw/zinc/52/05/13/839520513.db2.gz PASOBVFJEFAILL-CQSZACIVSA-N 0 0 391.545 3.594 10 0 GHAERN C[C@@]12CN(C(=O)Nc3cccc(C(=O)N4CCSCC4)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333273676 844489859 /nfs/dbraw/zinc/48/98/59/844489859.db2.gz WMZCXITVXMNLPW-AMOSPBCESA-N 0 0 399.560 3.776 10 0 GHAERN COc1ccc(Nc2ccccc2C(=O)N2CCC(C(=O)NC3CC3)CC2)cc1 ZINC000108573988 840222223 /nfs/dbraw/zinc/22/22/23/840222223.db2.gz ZOJWXRYTCMVFRF-UHFFFAOYSA-N 0 0 393.487 3.570 10 0 GHAERN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000140440753 840604081 /nfs/dbraw/zinc/60/40/81/840604081.db2.gz OUBDBSPZDPBIDX-QRWLVFNGSA-N 0 0 389.496 3.515 10 0 GHAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)c1 ZINC000106225163 840806116 /nfs/dbraw/zinc/80/61/16/840806116.db2.gz OHZIRBHCZVHXRR-INIZCTEOSA-N 0 0 391.313 3.538 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000106369100 840929043 /nfs/dbraw/zinc/92/90/43/840929043.db2.gz OGISBZKEFLPVHT-AWEZNQCLSA-N 0 0 388.320 3.870 10 0 GHAERN Cc1nc([C@@H](C)NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cs1 ZINC000332849306 844592428 /nfs/dbraw/zinc/59/24/28/844592428.db2.gz DJVFVEGCDAVFIW-CZUORRHYSA-N 0 0 396.520 3.887 10 0 GHAERN CCC(=O)N[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000408154794 841289822 /nfs/dbraw/zinc/28/98/22/841289822.db2.gz RAXSZSSBKTWKDR-MRXNPFEDSA-N 0 0 387.480 3.641 10 0 GHAERN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121048448 841899282 /nfs/dbraw/zinc/89/92/82/841899282.db2.gz ZHSBXMRDTWMUAK-AUSIDOKSSA-N 0 0 396.535 3.832 10 0 GHAERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408190573 842170906 /nfs/dbraw/zinc/17/09/06/842170906.db2.gz AMLNFUIZZJNCTQ-GSEOLPGOSA-N 0 0 391.943 3.644 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1O ZINC000408316945 842385569 /nfs/dbraw/zinc/38/55/69/842385569.db2.gz UPWHNNHPEJUVIE-YLSHDAJPSA-N 0 0 382.504 3.847 10 0 GHAERN C[C@H]1C[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC(=O)N1 ZINC000408196693 842432768 /nfs/dbraw/zinc/43/27/68/842432768.db2.gz CCFYZBVCEZNFCX-WCQYABFASA-N 0 0 391.924 3.570 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1Cc1ccc(N2CCCCCC2)nc1 ZINC000329357836 861321857 /nfs/dbraw/zinc/32/18/57/861321857.db2.gz HJQITEPQSIRNGR-OTWHNJEPSA-N 0 0 382.508 3.557 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000408365923 842892637 /nfs/dbraw/zinc/89/26/37/842892637.db2.gz MAYZYOHHSRFAGI-IXDOHACOSA-N 0 0 384.929 3.542 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)n1 ZINC000408368705 842898849 /nfs/dbraw/zinc/89/88/49/842898849.db2.gz MFUXIFZHNRSDGA-DYVFJYSZSA-N 0 0 384.505 3.596 10 0 GHAERN C[C@H]1N(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CCOC1(C)C ZINC000408366394 842900041 /nfs/dbraw/zinc/90/00/41/842900041.db2.gz LZHPORATNDROIC-SNVBAGLBSA-N 0 0 384.267 3.605 10 0 GHAERN CCC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000163173848 842970155 /nfs/dbraw/zinc/97/01/55/842970155.db2.gz SGZZVKBFUQWPRF-UHFFFAOYSA-N 0 0 378.519 3.613 10 0 GHAERN COc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1NC(C)=O ZINC000162594622 843281872 /nfs/dbraw/zinc/28/18/72/843281872.db2.gz NLVBUTSOAWZYCZ-RBZFPXEDSA-N 0 0 379.464 3.520 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 ZINC000162600447 843282717 /nfs/dbraw/zinc/28/27/17/843282717.db2.gz GEAOAEDFARVYIK-UHFFFAOYSA-N 0 0 384.480 3.778 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000162632218 843289220 /nfs/dbraw/zinc/28/92/20/843289220.db2.gz VPHSOECQBICVBA-UHFFFAOYSA-N 0 0 395.425 3.733 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 ZINC000588453153 843321430 /nfs/dbraw/zinc/32/14/30/843321430.db2.gz LEVHJXOVTBDIBB-CLFYSBASSA-N 0 0 384.439 3.640 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000588454867 843348638 /nfs/dbraw/zinc/34/86/38/843348638.db2.gz QUQBKNNHHBAORB-YPKPFQOOSA-N 0 0 393.468 3.843 10 0 GHAERN O=C(CCc1ccccc1Cl)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306659 843351112 /nfs/dbraw/zinc/35/11/12/843351112.db2.gz RHLMHWXKUBTLQP-UHFFFAOYSA-N 0 0 376.909 3.709 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000112307379 843352134 /nfs/dbraw/zinc/35/21/34/843352134.db2.gz SMPIFGOXEINIEJ-LSDHHAIUSA-N 0 0 390.455 3.505 10 0 GHAERN Cc1onc(-c2ccccc2)c1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307628 843352297 /nfs/dbraw/zinc/35/22/97/843352297.db2.gz ZZAPBPBJYSNLBU-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN O=S(=O)(/C=C\c1cccc(Br)c1)NCCC[C@H]1CCCCO1 ZINC000588457074 843371892 /nfs/dbraw/zinc/37/18/92/843371892.db2.gz XGDLGNFOQIVBRH-HMWXGYMHSA-N 0 0 388.327 3.689 10 0 GHAERN CC1(C)CCC(CC(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000121678051 843482011 /nfs/dbraw/zinc/48/20/11/843482011.db2.gz RFBJPZMWXMLWSJ-UHFFFAOYSA-N 0 0 378.538 3.549 10 0 GHAERN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1 ZINC000330297376 843568844 /nfs/dbraw/zinc/56/88/44/843568844.db2.gz GVNYGJZSSOITGZ-OXQOHEQNSA-N 0 0 384.501 3.810 10 0 GHAERN CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000330299450 843594417 /nfs/dbraw/zinc/59/44/17/843594417.db2.gz HZULLRAGASOADE-OXJNMPFZSA-N 0 0 390.549 3.654 10 0 GHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333063322 843941411 /nfs/dbraw/zinc/94/14/11/843941411.db2.gz DODPQZCWFHZTEE-MHORFTMASA-N 0 0 390.549 3.959 10 0 GHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000151197444 845170279 /nfs/dbraw/zinc/17/02/79/845170279.db2.gz UUZMBZFVMYPQMC-CMDGGOBGSA-N 0 0 386.398 3.561 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000333001251 845447192 /nfs/dbraw/zinc/44/71/92/845447192.db2.gz URIILSRFANKCIC-MCIONIFRSA-N 0 0 389.393 3.895 10 0 GHAERN O=C(N1CCCC1)N1CCC[C@H](c2nc(-c3ccc(O)c4ccccc34)no2)C1 ZINC000333008016 845503061 /nfs/dbraw/zinc/50/30/61/845503061.db2.gz ANWXRNGSDWSDEG-HNNXBMFYSA-N 0 0 392.459 3.991 10 0 GHAERN Cc1c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2ncccc21 ZINC000333520193 845679764 /nfs/dbraw/zinc/67/97/64/845679764.db2.gz NSEXSRCUPCUMCN-JMDDDVKNSA-N 0 0 387.487 3.632 10 0 GHAERN CC[C@H](C(=O)N1CCC(NC(=O)N2C[C@H]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000119616218 846126977 /nfs/dbraw/zinc/12/69/77/846126977.db2.gz SGFNDQYIWJUSCW-SBHAEUEKSA-N 0 0 383.536 3.613 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333527262 846167017 /nfs/dbraw/zinc/16/70/17/846167017.db2.gz PGLAETWFOUPYLE-NZMVCBSFSA-N 0 0 398.475 3.928 10 0 GHAERN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000333542597 846480885 /nfs/dbraw/zinc/48/08/85/846480885.db2.gz SHNAIZBHTNNYII-CFLYGVGMSA-N 0 0 380.485 3.519 10 0 GHAERN O=C(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000333608935 846594259 /nfs/dbraw/zinc/59/42/59/846594259.db2.gz ZURIPKCQTQFVLA-KYHPRHEASA-N 0 0 383.517 3.650 10 0 GHAERN CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)c2cccc(Cl)c2O1 ZINC000329593614 861728970 /nfs/dbraw/zinc/72/89/70/861728970.db2.gz OKIFUYFSRJCJTK-CKEIUWERSA-N 0 0 389.883 3.838 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c2ccccc21 ZINC000329618279 861783775 /nfs/dbraw/zinc/78/37/75/861783775.db2.gz LXPPMZPCMZYJKK-LPHOPBHVSA-N 0 0 396.491 3.787 10 0 GHAERN CC(C)c1ccc(C[C@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000153146020 848163364 /nfs/dbraw/zinc/16/33/64/848163364.db2.gz YKTFIMFWMHOGPM-SFHVURJKSA-N 0 0 393.531 3.805 10 0 GHAERN CC(C)(c1noc([C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000329653709 861915454 /nfs/dbraw/zinc/91/54/54/861915454.db2.gz DXROVVFTHJZMSA-ZWKOTPCHSA-N 0 0 387.524 3.836 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@@]3(CCOC3)C2)cc(Cl)c1OC(C)C ZINC000153572484 848676403 /nfs/dbraw/zinc/67/64/03/848676403.db2.gz UGWAMQJMYBAVPD-DPZZJQGRSA-N 0 0 379.884 3.788 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cnc(-c4cnn(C)c4)s3)C2)sc1C ZINC000329660697 861967141 /nfs/dbraw/zinc/96/71/41/861967141.db2.gz OETNUYBFHZTNHA-CYBMUJFWSA-N 0 0 387.534 3.637 10 0 GHAERN Cc1nc(COc2cccc(/C=C/C(=O)N3CC[C@@]4(CCOC4)C3)c2)cs1 ZINC000153784820 849008891 /nfs/dbraw/zinc/00/88/91/849008891.db2.gz QLFYUQLUIAUXSJ-YAQIIAKESA-N 0 0 384.501 3.683 10 0 GHAERN CCc1cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc2n1 ZINC000153792196 849013990 /nfs/dbraw/zinc/01/39/90/849013990.db2.gz WSTCLMZXBYWTOE-UHFFFAOYSA-N 0 0 388.471 3.683 10 0 GHAERN CCn1c([C@@H]2COCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@H]1C ZINC000329672135 862003952 /nfs/dbraw/zinc/00/39/52/862003952.db2.gz SJAZZYCUKXMTAM-BZNIZROVSA-N 0 0 397.306 3.816 10 0 GHAERN Cc1cc(Br)cc2cc(C(=O)N3CCC(n4cncn4)CC3)oc21 ZINC000155174977 849475743 /nfs/dbraw/zinc/47/57/43/849475743.db2.gz LLFAWLKKEAXJQH-UHFFFAOYSA-N 0 0 389.253 3.573 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000155701383 849609509 /nfs/dbraw/zinc/60/95/09/849609509.db2.gz KYBLTWQXRAOKBU-GOSISDBHSA-N 0 0 389.521 3.701 10 0 GHAERN C[C@@H](C1CC1)n1nccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000156373654 849874581 /nfs/dbraw/zinc/87/45/81/849874581.db2.gz JQJWWWCZDULRQW-INIZCTEOSA-N 0 0 387.528 3.501 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c3c2CCCC3)cc1 ZINC000151431021 850953359 /nfs/dbraw/zinc/95/33/59/850953359.db2.gz NXRNPDDWPCHURH-KOSHJBKYSA-N 0 0 393.531 3.827 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)COc2ccc(CCC(C)=O)cc2)cc1C ZINC000101529587 851637556 /nfs/dbraw/zinc/63/75/56/851637556.db2.gz XWOUHQRVUNHQKS-UHFFFAOYSA-N 0 0 383.488 3.871 10 0 GHAERN CC(C)(C)c1nc(Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)cs1 ZINC000101541142 851656113 /nfs/dbraw/zinc/65/61/13/851656113.db2.gz DVHYMEPSBIMNEV-UHFFFAOYSA-N 0 0 397.500 3.874 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1F ZINC000101582111 851691901 /nfs/dbraw/zinc/69/19/01/851691901.db2.gz BYQOTCIYBVUCKD-UHFFFAOYSA-N 0 0 398.818 3.794 10 0 GHAERN O=C(CSCc1coc(-c2ccc(F)cc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000101584985 851693475 /nfs/dbraw/zinc/69/34/75/851693475.db2.gz HWAROGSLGYUMIK-ROUUACIJSA-N 0 0 390.480 3.884 10 0 GHAERN Cc1nn(C)c2ncc(S(=O)(=O)N(Cc3ccccc3)C3CCCCC3)cc12 ZINC000101573625 851701921 /nfs/dbraw/zinc/70/19/21/851701921.db2.gz VMFXTYWTQOIAFF-UHFFFAOYSA-N 0 0 398.532 3.800 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000101770208 851897835 /nfs/dbraw/zinc/89/78/35/851897835.db2.gz BPCAQGMXCNKAET-AWEZNQCLSA-N 0 0 399.457 3.788 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2)CC1 ZINC000101771542 851898617 /nfs/dbraw/zinc/89/86/17/851898617.db2.gz WBGZMNQQSQZNGG-HUUCEWRRSA-N 0 0 379.932 3.983 10 0 GHAERN CCCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)CCCCC1 ZINC000101841952 851950949 /nfs/dbraw/zinc/95/09/49/851950949.db2.gz SLFXUHHQYAHMDN-VQIMIIECSA-N 0 0 399.535 3.630 10 0 GHAERN C[C@@H]1C(=O)NCCCN1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000329893114 862401483 /nfs/dbraw/zinc/40/14/83/862401483.db2.gz AKENOEFARJWTIC-MLGOLLRUSA-N 0 0 384.307 3.708 10 0 GHAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1C[C@H]2CCC[C@H]21 ZINC000329919647 862423495 /nfs/dbraw/zinc/42/34/95/862423495.db2.gz GLLUPRZJVUWOBV-RHSMWYFYSA-N 0 0 389.297 3.905 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3C[C@@H]4CC[C@@H](O)C[C@H]4C3)sc2C1 ZINC000333933200 853248179 /nfs/dbraw/zinc/24/81/79/853248179.db2.gz HMDQRVCQMNTQHF-BYNSBNAKSA-N 0 0 377.554 3.919 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[nH]1 ZINC000328663834 854494866 /nfs/dbraw/zinc/49/48/66/854494866.db2.gz BFWKOXPRCKIZSM-XHSDSOJGSA-N 0 0 378.398 3.989 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCC3(CCC3)C2)n1C[C@@H]1CCCO1 ZINC000328740006 854523659 /nfs/dbraw/zinc/52/36/59/854523659.db2.gz IGRQIYXXYVNSAU-BZSNNMDCSA-N 0 0 388.556 3.756 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccnc(N[C@@H]2CCCO[C@H]2C(C)C)n1 ZINC000330126402 862597694 /nfs/dbraw/zinc/59/76/94/862597694.db2.gz IRVNQQQUESZVHC-LQWHRVPQSA-N 0 0 398.555 3.784 10 0 GHAERN Cc1cc([C@H](C)NC(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c(C)o1 ZINC000127227023 854943518 /nfs/dbraw/zinc/94/35/18/854943518.db2.gz RNZLKZLWNJFPKL-GXFFZTMASA-N 0 0 381.398 3.996 10 0 GHAERN CC(C)[C@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330168059 862630725 /nfs/dbraw/zinc/63/07/25/862630725.db2.gz ZQBLMQKMKHDHLY-FZONSQQESA-N 0 0 395.503 3.678 10 0 GHAERN O=S(=O)(Cc1csc(-c2ccsc2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105713447 855136039 /nfs/dbraw/zinc/13/60/39/855136039.db2.gz HJNUXJKMUKRQLY-UHFFFAOYSA-N 0 0 393.471 3.630 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000330192120 862650923 /nfs/dbraw/zinc/65/09/23/862650923.db2.gz XNQZCCUUTBYTMQ-FTEYMNFISA-N 0 0 387.524 3.511 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000156344602 856013227 /nfs/dbraw/zinc/01/32/27/856013227.db2.gz UXWMRFLJNJOXGF-AWEZNQCLSA-N 0 0 388.320 3.565 10 0 GHAERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000194512913 856019523 /nfs/dbraw/zinc/01/95/23/856019523.db2.gz AAPICOFYXQQDFY-AWEZNQCLSA-N 0 0 378.542 3.715 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1C ZINC000031049686 856139772 /nfs/dbraw/zinc/13/97/72/856139772.db2.gz WQTJRIRVTJIDRG-OAHLLOKOSA-N 0 0 385.489 3.506 10 0 GHAERN Cc1ccc(-n2nnnc2SCC2CCN(C(=O)CC(C)C)CC2)c(C)c1 ZINC000184957554 856174220 /nfs/dbraw/zinc/17/42/20/856174220.db2.gz IIXRYISCJNELDF-UHFFFAOYSA-N 0 0 387.553 3.656 10 0 GHAERN O=C(c1cnc2ccccn2c1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000042615123 856387197 /nfs/dbraw/zinc/38/71/97/856387197.db2.gz INBNBCRAUFRFBU-MRXNPFEDSA-N 0 0 390.468 3.672 10 0 GHAERN CC(C)C(=O)N1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC1 ZINC000105341447 856674745 /nfs/dbraw/zinc/67/47/45/856674745.db2.gz QUVKMKVGTBZAAN-UHFFFAOYSA-N 0 0 391.560 3.704 10 0 GHAERN CCn1cc(C2CCN(C(=O)NCc3cc(Br)cs3)CC2)cn1 ZINC000156845470 857156549 /nfs/dbraw/zinc/15/65/49/857156549.db2.gz ZQJONQQKMYTNFR-UHFFFAOYSA-N 0 0 397.342 3.816 10 0 GHAERN Cc1nc(-c2ccccc2)c(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000172418395 857566150 /nfs/dbraw/zinc/56/61/50/857566150.db2.gz JFDWKBMYDSXNER-HNNXBMFYSA-N 0 0 381.505 3.578 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@@H]1c1ccco1 ZINC000172439791 857721101 /nfs/dbraw/zinc/72/11/01/857721101.db2.gz YAHKJUOCLXFCAA-DLBZAZTESA-N 0 0 388.489 3.825 10 0 GHAERN CCCn1c(=O)[nH]nc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000003534902 857791025 /nfs/dbraw/zinc/79/10/25/857791025.db2.gz DVOQTFGEQLRITG-KRWDZBQOSA-N 0 0 382.489 3.762 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1c1cccc(F)c1)CC2 ZINC000181744927 862995377 /nfs/dbraw/zinc/99/53/77/862995377.db2.gz UEDXHXNELLZDBN-LSBZLQRGSA-N 0 0 385.487 3.648 10 0 GHAERN CC(C)C[C@@H]1CCCCN1C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000132643003 858788391 /nfs/dbraw/zinc/78/83/91/858788391.db2.gz MMXWWZLRZILZSI-ACBHZAAOSA-N 0 0 395.613 3.731 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C12CCCC2 ZINC000133719292 858817074 /nfs/dbraw/zinc/81/70/74/858817074.db2.gz WBYSHRCCMSVQDV-PMACEKPBSA-N 0 0 385.508 3.797 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000161512469 859668527 /nfs/dbraw/zinc/66/85/27/859668527.db2.gz WOTSFUFQEVIZSG-MOPGFXCFSA-N 0 0 381.524 3.696 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)CC2 ZINC000161517731 859671215 /nfs/dbraw/zinc/67/12/15/859671215.db2.gz VUFLAFMZKCLXFA-RBUKOAKNSA-N 0 0 381.524 3.523 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)C2)no1 ZINC000171244440 860423905 /nfs/dbraw/zinc/42/39/05/860423905.db2.gz ZDLFTESILPWPNG-YPMHNXCESA-N 0 0 398.290 3.933 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)c12 ZINC000171349677 860424941 /nfs/dbraw/zinc/42/49/41/860424941.db2.gz RQTZTCWMZPPAGR-SFHVURJKSA-N 0 0 379.464 3.764 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172435790 860432858 /nfs/dbraw/zinc/43/28/58/860432858.db2.gz QAVYADXZDFOLGS-PXNSSMCTSA-N 0 0 381.524 3.971 10 0 GHAERN O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000172331493 860433350 /nfs/dbraw/zinc/43/33/50/860433350.db2.gz APEQOYPJCSVAOC-UHFFFAOYSA-N 0 0 398.551 3.588 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3cc(Cl)c4c(c3)OCCO4)C2)n1 ZINC000173063185 860435722 /nfs/dbraw/zinc/43/57/22/860435722.db2.gz HEPYORCVSPEATA-CQSZACIVSA-N 0 0 392.908 3.825 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000102645054 860502247 /nfs/dbraw/zinc/50/22/47/860502247.db2.gz LWGMFSDJAICBCH-LIRRHRJNSA-N 0 0 375.428 3.866 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000102898135 860618131 /nfs/dbraw/zinc/61/81/31/860618131.db2.gz SOSIYRMVEVENGY-OAQYLSRUSA-N 0 0 393.462 3.858 10 0 GHAERN COc1ccc(NC(=O)CN2CCC(Cc3ccccc3OC)CC2)c(OC)c1 ZINC000102410571 860664184 /nfs/dbraw/zinc/66/41/84/860664184.db2.gz YDROHNVVKMCABC-UHFFFAOYSA-N 0 0 398.503 3.606 10 0 GHAERN C[C@@H](NC(=O)C(C)(C)c1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000102492276 860704220 /nfs/dbraw/zinc/70/42/20/860704220.db2.gz BNHFVJIDLSFPQH-ZIAGYGMSSA-N 0 0 395.341 3.632 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000102718439 860830668 /nfs/dbraw/zinc/83/06/68/860830668.db2.gz VTDPIUDPNRQBHI-QGZVFWFLSA-N 0 0 390.530 3.601 10 0 GHAERN CCOc1ccc([C@@H](NC(=O)[C@H]2CSCN2C(=O)CC)c2ccccc2)cc1 ZINC000102720588 860831514 /nfs/dbraw/zinc/83/15/14/860831514.db2.gz KYMNLWORFAKQJC-CTNGQTDRSA-N 0 0 398.528 3.602 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@@H]1CCOc3ccccc31)CC2 ZINC000176895873 863258699 /nfs/dbraw/zinc/25/86/99/863258699.db2.gz WTYXTMAEZBHSTR-BLLLJJGKSA-N 0 0 391.393 3.549 10 0 GHAERN CC(C)[C@@H](CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1 ZINC000103075848 863885523 /nfs/dbraw/zinc/88/55/23/863885523.db2.gz QQWKYRQTHRSDJK-GOSISDBHSA-N 0 0 390.478 3.752 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3cnn(Cc4ccccc4)c3)c21 ZINC000103180180 863903720 /nfs/dbraw/zinc/90/37/20/863903720.db2.gz RNIGNMSPQUSFCO-UHFFFAOYSA-N 0 0 387.487 3.763 10 0 GHAERN C[C@@H](NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000103734234 864074508 /nfs/dbraw/zinc/07/45/08/864074508.db2.gz GVHJRKHHBWMQRR-QWHCGFSZSA-N 0 0 383.872 3.909 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103762845 864085628 /nfs/dbraw/zinc/08/56/28/864085628.db2.gz NZBYHTUSXKUGQQ-UHFFFAOYSA-N 0 0 392.644 3.639 10 0 GHAERN Cc1cc(C)n(CC2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000090474049 881786183 /nfs/dbraw/zinc/78/61/83/881786183.db2.gz BWRFXMCMPOXVEN-UHFFFAOYSA-N 0 0 394.441 3.869 10 0 GHAERN Cc1cccc(C2(CNC(=O)N3CCC(Nc4cccnn4)CC3)CCCC2)c1 ZINC000154563295 864665305 /nfs/dbraw/zinc/66/53/05/864665305.db2.gz NWUCRNLLSOUCPU-UHFFFAOYSA-N 0 0 393.535 3.883 10 0 GHAERN CCN(Cc1ccccc1NC(=O)N(C)CCc1ccccc1OC)C(C)=O ZINC000104998068 864794014 /nfs/dbraw/zinc/79/40/14/864794014.db2.gz VPXIWDNJKLKENT-UHFFFAOYSA-N 0 0 383.492 3.770 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000109674656 866600809 /nfs/dbraw/zinc/60/08/09/866600809.db2.gz YKIXZLOZDHTQBW-BKTGTZMESA-N 0 0 380.492 3.609 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000109674031 866601063 /nfs/dbraw/zinc/60/10/63/866601063.db2.gz YOMQWEBSUUJZMS-UXHICEINSA-N 0 0 383.492 3.572 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151088651 866689665 /nfs/dbraw/zinc/68/96/65/866689665.db2.gz QKEVZXPCCMDXMX-SCLBCKFNSA-N 0 0 378.266 3.963 10 0 GHAERN CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000151114147 866696903 /nfs/dbraw/zinc/69/69/03/866696903.db2.gz ILMGRYQQOBOKSS-LHSJRXKWSA-N 0 0 376.472 3.578 10 0 GHAERN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632656 882043497 /nfs/dbraw/zinc/04/34/97/882043497.db2.gz KCJNKYJYBAYSGW-UHFFFAOYSA-N 0 0 377.379 3.931 10 0 GHAERN CCc1c(NC(=O)C=Cc2cc(OC)ccc2OC)n[nH]c1-c1ccncc1 ZINC000170851535 882061184 /nfs/dbraw/zinc/06/11/84/882061184.db2.gz FUESVMOIHZXTCT-VMPITWQZSA-N 0 0 378.432 3.703 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170884447 882063827 /nfs/dbraw/zinc/06/38/27/882063827.db2.gz YPTMPJVILAUQOT-KRWDZBQOSA-N 0 0 385.414 3.765 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c3c2CCCC3)cc1 ZINC000151430980 867478643 /nfs/dbraw/zinc/47/86/43/867478643.db2.gz NXRNPDDWPCHURH-HOYKHHGWSA-N 0 0 393.531 3.827 10 0 GHAERN CC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3cccs3)CC2)c(F)c1 ZINC000171214203 882088222 /nfs/dbraw/zinc/08/82/22/882088222.db2.gz WVWBNVHTMOORMR-UHFFFAOYSA-N 0 0 375.421 3.548 10 0 GHAERN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171616563 882116454 /nfs/dbraw/zinc/11/64/54/882116454.db2.gz JZQGQXCKXPTJFA-UHFFFAOYSA-N 0 0 377.492 3.811 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171615214 882116857 /nfs/dbraw/zinc/11/68/57/882116857.db2.gz FUKWLWJHXKXDIO-HRAATJIYSA-N 0 0 377.488 3.771 10 0 GHAERN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000171642397 882119710 /nfs/dbraw/zinc/11/97/10/882119710.db2.gz VZKVOPOCSNJRMX-OAHLLOKOSA-N 0 0 399.545 3.779 10 0 GHAERN CN(Cc1ccc(F)cc1Cl)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000171543926 882141450 /nfs/dbraw/zinc/14/14/50/882141450.db2.gz UIJPFJVMIYFMMV-HNNXBMFYSA-N 0 0 375.831 3.747 10 0 GHAERN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245713787 868195929 /nfs/dbraw/zinc/19/59/29/868195929.db2.gz TUOZNFRIWOZIEM-FUHIMQAGSA-N 0 0 385.508 3.652 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1 ZINC000172192865 882176179 /nfs/dbraw/zinc/17/61/79/882176179.db2.gz WKMOJUCPCWOABK-UHFFFAOYSA-N 0 0 384.545 3.985 10 0 GHAERN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248444769 868924547 /nfs/dbraw/zinc/92/45/47/868924547.db2.gz WFGIUGGAUDNVBE-XKGZKEIXSA-N 0 0 385.508 3.510 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000172636291 882281602 /nfs/dbraw/zinc/28/16/02/882281602.db2.gz CVBZECZGOUALBM-PMACEKPBSA-N 0 0 398.478 3.596 10 0 GHAERN Cc1nc(C(C)(C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)sc1C ZINC000172552693 882294192 /nfs/dbraw/zinc/29/41/92/882294192.db2.gz JKTWCWIJTMXZKF-UHFFFAOYSA-N 0 0 391.562 3.725 10 0 GHAERN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172752081 882305828 /nfs/dbraw/zinc/30/58/28/882305828.db2.gz IAUDNLPMVHZUIX-HNNXBMFYSA-N 0 0 385.895 3.807 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000172852647 882314044 /nfs/dbraw/zinc/31/40/44/882314044.db2.gz VHSLYPYEERTYLI-JOCHJYFZSA-N 0 0 389.499 3.612 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccccc2N2CCCC2=O)cc1 ZINC000172855204 882314181 /nfs/dbraw/zinc/31/41/81/882314181.db2.gz JLHHQBFEILSZNI-HXUWFJFHSA-N 0 0 393.487 3.598 10 0 GHAERN CCNC(=O)c1ccc(NCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000172884826 882317215 /nfs/dbraw/zinc/31/72/15/882317215.db2.gz CUWOVXQMYFDGAA-NRFANRHFSA-N 0 0 395.503 3.529 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000172884382 882317736 /nfs/dbraw/zinc/31/77/36/882317736.db2.gz FYDZCBGPFHTALT-OAQYLSRUSA-N 0 0 395.503 3.609 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc4cc(F)ccc4oc3=O)C2)cc1 ZINC000173082411 882319456 /nfs/dbraw/zinc/31/94/56/882319456.db2.gz AXSQHCFLOYSAOG-BBRMVZONSA-N 0 0 381.403 3.959 10 0 GHAERN Cc1nc([C@@H](NC(=O)/C=C/c2cccc3cccnc23)c2ccccc2F)no1 ZINC000114649400 869701499 /nfs/dbraw/zinc/70/14/99/869701499.db2.gz TZHAPMCDECLXLC-VIOKTNGOSA-N 0 0 388.402 3.984 10 0 GHAERN Cc1nc([C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2ccccc2F)no1 ZINC000114649945 869702686 /nfs/dbraw/zinc/70/26/86/869702686.db2.gz RJAXVSCVCPGRSS-CYBMUJFWSA-N 0 0 381.194 3.738 10 0 GHAERN O=C(C1CCN(C(=O)c2ccccn2)CC1)N(Cc1ccoc1)C1CCCCC1 ZINC000173244888 882343565 /nfs/dbraw/zinc/34/35/65/882343565.db2.gz YVBGWCNBKQWJLE-UHFFFAOYSA-N 0 0 395.503 3.888 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)n1 ZINC000173964641 869977050 /nfs/dbraw/zinc/97/70/50/869977050.db2.gz LDRXXCKZTHZMMY-DLBZAZTESA-N 0 0 389.565 3.621 10 0 GHAERN COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1C ZINC000173485051 882365137 /nfs/dbraw/zinc/36/51/37/882365137.db2.gz BFFJFUNZADTSSZ-LJQANCHMSA-N 0 0 379.460 3.511 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000185507812 870210347 /nfs/dbraw/zinc/21/03/47/870210347.db2.gz SNSRIAPKQWXWFW-VMRPVKRXSA-N 0 0 398.528 3.918 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)cs1 ZINC000187072398 870246708 /nfs/dbraw/zinc/24/67/08/870246708.db2.gz VALZNBQZDLQUHJ-CWAZZTDXSA-N 0 0 375.538 3.542 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2csc(N3CCCC3)n2)cs1 ZINC000187260114 870250226 /nfs/dbraw/zinc/25/02/26/870250226.db2.gz FWCJQUZORBZCJY-INIZCTEOSA-N 0 0 391.566 3.597 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2c(C)nn(C)c2Cl)cc1 ZINC000173820791 882406343 /nfs/dbraw/zinc/40/63/43/882406343.db2.gz RPQFQYABPHNGQG-QGZVFWFLSA-N 0 0 393.940 3.987 10 0 GHAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046489706 870434502 /nfs/dbraw/zinc/43/45/02/870434502.db2.gz RCBMXJDFZXHWKG-IRXDYDNUSA-N 0 0 394.500 3.779 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000106368556 870618383 /nfs/dbraw/zinc/61/83/83/870618383.db2.gz MROVYDHOWPMROX-JTQLQIEISA-N 0 0 394.349 3.931 10 0 GHAERN CC(C)c1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nn1C ZINC000174235582 882439274 /nfs/dbraw/zinc/43/92/74/882439274.db2.gz USYHPPLNWUPNEJ-KRWDZBQOSA-N 0 0 377.492 3.953 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000174526964 882477612 /nfs/dbraw/zinc/47/76/12/882477612.db2.gz BCJYEYSBGPLINX-SFHVURJKSA-N 0 0 390.549 3.551 10 0 GHAERN CCc1nc(CCNC(=O)N2CCC(Nc3ccccc3F)CC2)cs1 ZINC000174602316 882485346 /nfs/dbraw/zinc/48/53/46/882485346.db2.gz CKYMRAWUSZHSLR-UHFFFAOYSA-N 0 0 376.501 3.673 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)NCc3coc(-c4cccs4)n3)CC2)nc1 ZINC000174668867 882491939 /nfs/dbraw/zinc/49/19/39/882491939.db2.gz ZOKOBIOIAHMHEQ-UHFFFAOYSA-N 0 0 397.504 3.575 10 0 GHAERN COc1ccc(CN(C)C(=O)NCc2ccc(N3CCCCC3=O)cc2)cc1C ZINC000103180720 871443872 /nfs/dbraw/zinc/44/38/72/871443872.db2.gz APCPWISHZIIGOO-UHFFFAOYSA-N 0 0 395.503 3.862 10 0 GHAERN O=C(c1ccccn1)N1CCC(c2nc(CCCc3ccccc3)no2)CC1 ZINC000174836524 882530756 /nfs/dbraw/zinc/53/07/56/882530756.db2.gz YLZHXQUAECJCHU-UHFFFAOYSA-N 0 0 376.460 3.660 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000174896031 882534988 /nfs/dbraw/zinc/53/49/88/882534988.db2.gz NNMRTDBIFYODHW-JXMROGBWSA-N 0 0 391.496 3.815 10 0 GHAERN NC(=O)C[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000175332687 882543258 /nfs/dbraw/zinc/54/32/58/882543258.db2.gz RSZNRPWFRBWSHZ-FZKQIMNGSA-N 0 0 391.924 3.788 10 0 GHAERN COc1ccccc1CN(C(=O)NC1CCN(c2ccc(C)cn2)CC1)C1CC1 ZINC000175278306 882564701 /nfs/dbraw/zinc/56/47/01/882564701.db2.gz KTOCDZMYGMZWRY-UHFFFAOYSA-N 0 0 394.519 3.742 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)c1ccco1 ZINC000175707476 882577936 /nfs/dbraw/zinc/57/79/36/882577936.db2.gz TWIHWTDZRCYHPI-MJGOQNOKSA-N 0 0 394.475 3.946 10 0 GHAERN Cc1ccccc1Cc1noc(CN2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000175566230 882598771 /nfs/dbraw/zinc/59/87/71/882598771.db2.gz MJISBIFWEUDLDY-UHFFFAOYSA-N 0 0 396.535 3.583 10 0 GHAERN COc1ccccc1[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)N(C)C)c1 ZINC000175595336 882600775 /nfs/dbraw/zinc/60/07/75/882600775.db2.gz YEFVUYSVMCFHAX-LJQANCHMSA-N 0 0 396.491 3.835 10 0 GHAERN O=C(NCc1nc(CN2CCC[C@@H](c3nccs3)C2)cs1)c1ccccc1 ZINC000175616060 882603803 /nfs/dbraw/zinc/60/38/03/882603803.db2.gz MPQKYYKOEXYTFG-MRXNPFEDSA-N 0 0 398.557 3.909 10 0 GHAERN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C(C)C)n(C)c2=S)c1 ZINC000101901961 872353859 /nfs/dbraw/zinc/35/38/59/872353859.db2.gz UDOGWNYYFLQLPT-INIZCTEOSA-N 0 0 376.526 3.886 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000175743063 882619740 /nfs/dbraw/zinc/61/97/40/882619740.db2.gz GWDBLZUFPIPGFI-MHZLTWQESA-N 0 0 386.517 3.919 10 0 GHAERN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000175749588 882621518 /nfs/dbraw/zinc/62/15/18/882621518.db2.gz LXNXBLBFWKCBIS-AREMUKBSSA-N 0 0 391.924 3.740 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)C2)cc1 ZINC000176054647 882661642 /nfs/dbraw/zinc/66/16/42/882661642.db2.gz MSPPKKFPUWGYSX-HOCLYGCPSA-N 0 0 399.466 3.946 10 0 GHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176306517 882677579 /nfs/dbraw/zinc/67/75/79/882677579.db2.gz BRBYSZDCKOODEG-QZTJIDSGSA-N 0 0 375.476 3.557 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)CCCNC(=O)OC(C)(C)C)CC1 ZINC000102378958 872984218 /nfs/dbraw/zinc/98/42/18/872984218.db2.gz PTWXCIOITZZIMG-UHFFFAOYSA-N 0 0 390.524 3.781 10 0 GHAERN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127655881 873104611 /nfs/dbraw/zinc/10/46/11/873104611.db2.gz KSHRKWKSDHAMNR-CVEARBPZSA-N 0 0 389.569 3.823 10 0 GHAERN COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000176395457 882688735 /nfs/dbraw/zinc/68/87/35/882688735.db2.gz MXJVORPKCNOFJO-CYBMUJFWSA-N 0 0 380.897 3.842 10 0 GHAERN O=C(C/C=C/c1ccccc1F)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000176259683 882701822 /nfs/dbraw/zinc/70/18/22/882701822.db2.gz SGRSVQRFCBUEBJ-HWKANZROSA-N 0 0 386.496 3.850 10 0 GHAERN O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000116166359 873302855 /nfs/dbraw/zinc/30/28/55/873302855.db2.gz WPNSPPUMCMXBMA-SJORKVTESA-N 0 0 390.474 3.710 10 0 GHAERN CCS[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176748162 882710036 /nfs/dbraw/zinc/71/00/36/882710036.db2.gz QWRCEJFVIACGBJ-HZPDHXFCSA-N 0 0 380.579 3.781 10 0 GHAERN Cc1nc([C@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)c2ccccc2F)no1 ZINC000176580207 882715777 /nfs/dbraw/zinc/71/57/77/882715777.db2.gz IGUBUWUAOQCERN-HXUWFJFHSA-N 0 0 393.422 3.540 10 0 GHAERN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161564339 873379449 /nfs/dbraw/zinc/37/94/49/873379449.db2.gz MIMIQEGJHDAXLQ-VQTJNVASSA-N 0 0 375.557 3.826 10 0 GHAERN Cc1csc([C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)C2CC2)n1 ZINC000176855852 882744117 /nfs/dbraw/zinc/74/41/17/882744117.db2.gz IDWBQZRJCMOKHB-SFHVURJKSA-N 0 0 385.537 3.574 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H](c3ncccc3C)C(C)C)CC2)nc1 ZINC000176811466 882740037 /nfs/dbraw/zinc/74/00/37/882740037.db2.gz VSOFQRLDSNIXOJ-FQEVSTJZSA-N 0 0 381.524 3.759 10 0 GHAERN Cc1n[nH]cc1NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(C(F)(F)F)c1 ZINC000102802377 873649278 /nfs/dbraw/zinc/64/92/78/873649278.db2.gz VQOQQUAXEHTDHO-GHMZBOCLSA-N 0 0 397.401 3.995 10 0 GHAERN CCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1 ZINC000018840165 873990835 /nfs/dbraw/zinc/99/08/35/873990835.db2.gz SBHCQSZWTKDYCS-UHFFFAOYSA-N 0 0 392.912 3.635 10 0 GHAERN COc1cc(OC)c(CNC(=O)Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000104279324 874249177 /nfs/dbraw/zinc/24/91/77/874249177.db2.gz TYBJFVXSIIAOPR-UHFFFAOYSA-N 0 0 383.366 3.590 10 0 GHAERN CCO[C@H](CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCC1 ZINC000177352346 882821982 /nfs/dbraw/zinc/82/19/82/882821982.db2.gz YUMCZPGJVHDHHF-GOSISDBHSA-N 0 0 392.565 3.702 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177776429 882824414 /nfs/dbraw/zinc/82/44/14/882824414.db2.gz XCWSYRRDLADONW-QGZVFWFLSA-N 0 0 384.867 3.815 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000177720612 882846966 /nfs/dbraw/zinc/84/69/66/882846966.db2.gz QUFYVUFNQHNOKZ-CYBMUJFWSA-N 0 0 382.489 3.603 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2)n1 ZINC000119056510 874861019 /nfs/dbraw/zinc/86/10/19/874861019.db2.gz AQQYROBHNUQNFV-NWDGAFQWSA-N 0 0 398.454 3.705 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407490 882882853 /nfs/dbraw/zinc/88/28/53/882882853.db2.gz OTKKQNYAMZXPTG-MSOLQXFVSA-N 0 0 398.507 3.715 10 0 GHAERN COc1ccccc1[C@H](O)CNC(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000105054206 875022457 /nfs/dbraw/zinc/02/24/57/875022457.db2.gz QDXBRXLXAIOIBL-HXUWFJFHSA-N 0 0 390.439 3.781 10 0 GHAERN O=C(Nc1cccc(Oc2ccccn2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000119327965 875120087 /nfs/dbraw/zinc/12/00/87/875120087.db2.gz YVZWODHAWNCXFU-IBGZPJMESA-N 0 0 376.416 3.954 10 0 GHAERN Cc1cc(Cl)ncc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178662642 882929143 /nfs/dbraw/zinc/92/91/43/882929143.db2.gz YKGKQOYEOPYTAI-UHFFFAOYSA-N 0 0 375.831 3.673 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C)c1cccs1 ZINC000179029702 882947142 /nfs/dbraw/zinc/94/71/42/882947142.db2.gz IMKHLPIDWSGGIZ-AWEZNQCLSA-N 0 0 386.452 3.587 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCc4c5ccccc5[nH]c4C3)CC2)nc1 ZINC000179199130 882978362 /nfs/dbraw/zinc/97/83/62/882978362.db2.gz HABKFUAMHDRSCL-UHFFFAOYSA-N 0 0 389.503 3.608 10 0 GHAERN CCc1nccn1[C@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000128534355 876042528 /nfs/dbraw/zinc/04/25/28/876042528.db2.gz KJAKAVMLDKEQPQ-JTQLQIEISA-N 0 0 394.349 3.840 10 0 GHAERN Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCC[C@@H]1c1cccs1 ZINC000021851701 876074751 /nfs/dbraw/zinc/07/47/51/876074751.db2.gz BIVOPLWEVBYMQS-OAHLLOKOSA-N 0 0 399.545 3.796 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1cccc(F)c1F ZINC000179606285 883013631 /nfs/dbraw/zinc/01/36/31/883013631.db2.gz WWFJXGWLPPCVLO-KGLIPLIRSA-N 0 0 385.418 3.658 10 0 GHAERN CN(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCCc2c1cnn2C ZINC000179926247 883038641 /nfs/dbraw/zinc/03/86/41/883038641.db2.gz HBGLJRRTIXWRJW-ZHALLVOQSA-N 0 0 388.899 3.623 10 0 GHAERN COc1cc(-c2noc(CN[C@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1C ZINC000179989805 883043486 /nfs/dbraw/zinc/04/34/86/883043486.db2.gz KRNZASQKGNVYBS-CQSZACIVSA-N 0 0 392.459 3.789 10 0 GHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000121304548 876923288 /nfs/dbraw/zinc/92/32/88/876923288.db2.gz LCRUFEJJHCWXIZ-SFHVURJKSA-N 0 0 392.484 3.538 10 0 GHAERN CCC(CC)n1nc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1C ZINC000180531838 883079360 /nfs/dbraw/zinc/07/93/60/883079360.db2.gz NHHOVGKZQZKNKT-UHFFFAOYSA-N 0 0 388.537 3.602 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121846541 877903370 /nfs/dbraw/zinc/90/33/70/877903370.db2.gz SNEIHOXILZQIFM-PVAVHDDUSA-N 0 0 385.489 3.684 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3sc(-c4ncccn4)nc3C)C2)cc1 ZINC000121895443 877930413 /nfs/dbraw/zinc/93/04/13/877930413.db2.gz OUKKLWVZRZNPHR-CJNGLKHVSA-N 0 0 394.500 3.935 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)cc1 ZINC000122113878 878379598 /nfs/dbraw/zinc/37/95/98/878379598.db2.gz OEMNQETUOXIXCM-CJNGLKHVSA-N 0 0 382.485 3.758 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000122329899 878754531 /nfs/dbraw/zinc/75/45/31/878754531.db2.gz OHUQWNAMLVTVNP-MAUKXSAKSA-N 0 0 387.501 3.507 10 0 GHAERN O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135290445 879274871 /nfs/dbraw/zinc/27/48/71/879274871.db2.gz XXOZGXIVDWYOBP-DQVLVPHSSA-N 0 0 378.520 3.926 10 0 GHAERN CC1(C)CN(C(=O)NC2CCC(S(C)(=O)=O)CC2)c2cccc(Cl)c21 ZINC000175504019 879356428 /nfs/dbraw/zinc/35/64/28/879356428.db2.gz LJPFSABZGVADTD-UHFFFAOYSA-N 0 0 384.929 3.503 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000181050797 883120076 /nfs/dbraw/zinc/12/00/76/883120076.db2.gz RHIRYTIXNNUYFR-UHFFFAOYSA-N 0 0 392.459 3.508 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)c3c(C)cc(C)nc3Cl)CC2)c(C)o1 ZINC000181918473 883192385 /nfs/dbraw/zinc/19/23/85/883192385.db2.gz SUBUFHAPZZDPTP-UHFFFAOYSA-N 0 0 389.883 3.596 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000181943054 883195029 /nfs/dbraw/zinc/19/50/29/883195029.db2.gz FKHDDPPOCHOOCS-KRWDZBQOSA-N 0 0 391.479 3.764 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N3CCC([N@H+]4CCO[C@H](C)C4)CC3)c2)oc1C ZINC000098028528 883203933 /nfs/dbraw/zinc/20/39/33/883203933.db2.gz WGNIELFPQIIQIF-OAHLLOKOSA-N 0 0 398.507 3.675 10 0 GHAERN CSCCCCCCNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000182195470 883212057 /nfs/dbraw/zinc/21/20/57/883212057.db2.gz MBRDLIMLVDJDTL-MRXNPFEDSA-N 0 0 375.542 3.542 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000182658577 883230470 /nfs/dbraw/zinc/23/04/70/883230470.db2.gz GMLVSONACXWHJK-PMACEKPBSA-N 0 0 384.524 3.819 10 0 GHAERN Cc1nc(C(F)(F)F)c(CN2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000183585013 883290284 /nfs/dbraw/zinc/29/02/84/883290284.db2.gz CJNVNRZXONJGLZ-UHFFFAOYSA-N 0 0 389.468 3.880 10 0 GHAERN CCN(C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)[C@@H](C)c1cccnc1 ZINC000184014250 883297660 /nfs/dbraw/zinc/29/76/60/883297660.db2.gz ZDFRZCBYRLWXBC-YCRPNKLZSA-N 0 0 398.482 3.807 10 0 GHAERN CCc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000184016234 883299153 /nfs/dbraw/zinc/29/91/53/883299153.db2.gz HWNSQAUGNJIIFS-LJQANCHMSA-N 0 0 389.496 3.742 10 0 GHAERN CCCC1(CNC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCC1 ZINC000184031887 883301859 /nfs/dbraw/zinc/30/18/59/883301859.db2.gz XWUIVFMKJFJMEZ-IBGZPJMESA-N 0 0 375.488 3.889 10 0 GHAERN CCC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184039687 883302795 /nfs/dbraw/zinc/30/27/95/883302795.db2.gz PNYRJLBLRIYCJN-OXJNMPFZSA-N 0 0 375.488 3.841 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000183815377 883304562 /nfs/dbraw/zinc/30/45/62/883304562.db2.gz ZIDJOXNQNNKQPD-RISCZKNCSA-N 0 0 398.433 3.783 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2csc(CC(C)C)n2)c2ccc(F)cc2C1 ZINC000184112283 883320335 /nfs/dbraw/zinc/32/03/35/883320335.db2.gz IDGBPCDWVKTLFU-KRWDZBQOSA-N 0 0 389.496 3.704 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)c1C ZINC000184050344 883330969 /nfs/dbraw/zinc/33/09/69/883330969.db2.gz OCGPRJOXJQTORT-OAHLLOKOSA-N 0 0 390.871 3.710 10 0 GHAERN CSc1c(F)cc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1F ZINC000184390953 883347839 /nfs/dbraw/zinc/34/78/39/883347839.db2.gz FDJHOZPKRJBAIM-UHFFFAOYSA-N 0 0 380.464 3.907 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2(C)CCC(C)CC2)c2ccc(F)cc2C1 ZINC000184859584 883387596 /nfs/dbraw/zinc/38/75/96/883387596.db2.gz YMHVTCGRXCJAQC-QRGXEKKJSA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCO3)c2ccc(F)cc2C1 ZINC000185294467 883432738 /nfs/dbraw/zinc/43/27/38/883432738.db2.gz UKWFVLSFDZOMNC-FQEVSTJZSA-N 0 0 397.450 3.766 10 0 GHAERN O=C(/C=C/c1ccc2ccccc2c1)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000185419775 883456911 /nfs/dbraw/zinc/45/69/11/883456911.db2.gz ULPKIXZJORYJSH-SOFGYWHQSA-N 0 0 392.484 3.582 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc4nc(C)oc4c3)C2)c1 ZINC000102527342 883515291 /nfs/dbraw/zinc/51/52/91/883515291.db2.gz ZENPIFQXAPHTII-OAHLLOKOSA-N 0 0 380.448 3.793 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000185502623 883546547 /nfs/dbraw/zinc/54/65/47/883546547.db2.gz JVTMGNJKTNLWMK-OAQYLSRUSA-N 0 0 398.478 3.821 10 0 GHAERN COc1ccc(C[C@H](C)C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185508354 883547633 /nfs/dbraw/zinc/54/76/33/883547633.db2.gz PIYUAHYVKVFYOC-NYHFZMIOSA-N 0 0 398.478 3.623 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000185522871 883550197 /nfs/dbraw/zinc/55/01/97/883550197.db2.gz VOVJPORCIOKXKI-UHFFFAOYSA-N 0 0 378.476 3.537 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2cccc(C)c2C)c2ccc(F)cc2C1 ZINC000185535788 883551210 /nfs/dbraw/zinc/55/12/10/883551210.db2.gz MQJLOBMLTPRSCA-NRFANRHFSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)OC2CCCCCC2)c2ccc(F)cc2C1 ZINC000185545957 883554078 /nfs/dbraw/zinc/55/40/78/883554078.db2.gz UWXBAVSEAHNZMB-QVKFZJNVSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185550131 883555807 /nfs/dbraw/zinc/55/58/07/883555807.db2.gz CIHAXDBSTYCFCD-GOSISDBHSA-N 0 0 396.796 3.981 10 0 GHAERN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559126 883556645 /nfs/dbraw/zinc/55/66/45/883556645.db2.gz CEYAVNORIIIAPT-VXKWHMMOSA-N 0 0 398.478 3.901 10 0 GHAERN COc1ccc([C@@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2nccn2C)cc1 ZINC000186327645 883632096 /nfs/dbraw/zinc/63/20/96/883632096.db2.gz UKFSFNDEGGCMEO-JOCHJYFZSA-N 0 0 393.487 3.664 10 0 GHAERN C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c2c(O)cccc21 ZINC000186324454 883632629 /nfs/dbraw/zinc/63/26/29/883632629.db2.gz FNXDPOBSENVYCU-HNNXBMFYSA-N 0 0 396.462 3.924 10 0 GHAERN O=C(c1csc(-c2ccccc2F)n1)N1CCCN(c2ccccn2)CC1 ZINC000186417007 883642768 /nfs/dbraw/zinc/64/27/68/883642768.db2.gz SNHQTUYAXJXEFM-UHFFFAOYSA-N 0 0 382.464 3.697 10 0 GHAERN Cc1nc(-c2cccc(C(=O)N3CCCN(c4ccccn4)CC3)c2)cs1 ZINC000186436675 883645685 /nfs/dbraw/zinc/64/56/85/883645685.db2.gz PIGCKSJKIUCLDW-UHFFFAOYSA-N 0 0 378.501 3.866 10 0 GHAERN COc1ccc(-c2nc(C(=O)N3CCCN(c4ccccn4)CC3)cs2)cc1 ZINC000186442453 883646093 /nfs/dbraw/zinc/64/60/93/883646093.db2.gz RPZCPCAYHZVJTN-UHFFFAOYSA-N 0 0 394.500 3.566 10 0 GHAERN O=C(NCc1nc(-c2ccccc2)cs1)N1CCCN(c2ccccn2)CC1 ZINC000186356688 883652637 /nfs/dbraw/zinc/65/26/37/883652637.db2.gz CXGBCJNQFMGYFR-UHFFFAOYSA-N 0 0 393.516 3.627 10 0 GHAERN O=C(c1ccc(CCC(F)(F)F)cc1)N1CCCN(c2ccccn2)CC1 ZINC000186375359 883652778 /nfs/dbraw/zinc/65/27/78/883652778.db2.gz UMENHDCOFIMRGA-UHFFFAOYSA-N 0 0 377.410 3.929 10 0 GHAERN Cn1cc(CNCc2c(F)cc(Br)cc2F)c(-c2cccnc2)n1 ZINC000186553649 883662759 /nfs/dbraw/zinc/66/27/59/883662759.db2.gz KIAOAFMVDGXNMV-UHFFFAOYSA-N 0 0 393.235 3.813 10 0 GHAERN CN1Cc2cc(NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)ccc2NC1=O ZINC000186574324 883664308 /nfs/dbraw/zinc/66/43/08/883664308.db2.gz KSKMOXUELIYDAV-LJQANCHMSA-N 0 0 394.475 3.877 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(-n2ccnc2)c1 ZINC000186595116 883666896 /nfs/dbraw/zinc/66/68/96/883666896.db2.gz RTUSMQQFEIOJMS-CQSZACIVSA-N 0 0 390.447 3.732 10 0 GHAERN CN1Cc2cc(NC(=O)NCCc3nc(C(C)(C)C)cs3)ccc2NC1=O ZINC000186634504 883679197 /nfs/dbraw/zinc/67/91/97/883679197.db2.gz KZBDHUUGXQUUAT-UHFFFAOYSA-N 0 0 387.509 3.782 10 0 GHAERN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186660054 883684823 /nfs/dbraw/zinc/68/48/23/883684823.db2.gz ZYTLEZMAOOYZMX-HXUWFJFHSA-N 0 0 396.491 3.715 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3cccc4ccccc43)CC2)n1 ZINC000186779746 883701866 /nfs/dbraw/zinc/70/18/66/883701866.db2.gz URZOIRAPSNVXIU-UXHICEINSA-N 0 0 390.487 3.799 10 0 GHAERN Cc1csc(CCCCNC(=O)N2CCC(Nc3nccs3)CC2)n1 ZINC000186860923 883724926 /nfs/dbraw/zinc/72/49/26/883724926.db2.gz IKANJZRDKGKALZ-UHFFFAOYSA-N 0 0 379.555 3.517 10 0 GHAERN COc1ccccc1N1CC[C@@H](NC(=O)N2CCC[C@H]2c2csc(C)n2)C1 ZINC000187158762 883758236 /nfs/dbraw/zinc/75/82/36/883758236.db2.gz RJXYTODQYASGBT-WBVHZDCISA-N 0 0 386.521 3.586 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000187416502 883790197 /nfs/dbraw/zinc/79/01/97/883790197.db2.gz NAHXIZPAZKNWHF-HXUWFJFHSA-N 0 0 394.475 3.975 10 0 GHAERN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC(Nc2nccs2)CC1 ZINC000187819249 883809139 /nfs/dbraw/zinc/80/91/39/883809139.db2.gz DYKICWOXIZSZRC-ROUUACIJSA-N 0 0 386.521 3.649 10 0 GHAERN O=C(NCc1ccc2c(c1)OCCCO2)N1CC2(CCOCC2)c2ccccc21 ZINC000188476755 883853532 /nfs/dbraw/zinc/85/35/32/883853532.db2.gz ZGJNSXQSNWMMCU-UHFFFAOYSA-N 0 0 394.471 3.626 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCC(c4ccccc4Br)CC3)cnc21 ZINC000188875208 883890131 /nfs/dbraw/zinc/89/01/31/883890131.db2.gz YQXOQVWZDMEDBR-UHFFFAOYSA-N 0 0 399.292 3.751 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189070112 883900948 /nfs/dbraw/zinc/90/09/48/883900948.db2.gz FBMWCHJGFVABOY-LKWICAOESA-N 0 0 385.464 3.557 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C[C@@H]1C ZINC000189616366 883973606 /nfs/dbraw/zinc/97/36/06/883973606.db2.gz BDGBKFUHRCERBE-ONGXEEELSA-N 0 0 385.342 3.510 10 0 GHAERN O=C(c1cc[nH]c1)c1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189788444 883994631 /nfs/dbraw/zinc/99/46/31/883994631.db2.gz PADVRULSVBSHDH-UHFFFAOYSA-N 0 0 386.451 3.954 10 0 GHAERN COc1ccc2[nH]cc(CC(=O)N3CC4(CCOCC4)c4ccccc43)c2c1 ZINC000189793595 883995087 /nfs/dbraw/zinc/99/50/87/883995087.db2.gz DULWSBYENQWCTP-UHFFFAOYSA-N 0 0 376.456 3.814 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C[C@@H]1C ZINC000189794678 883996634 /nfs/dbraw/zinc/99/66/34/883996634.db2.gz DSLAWYXLARXIGJ-ONGXEEELSA-N 0 0 389.677 3.765 10 0 GHAERN CC(C)NC(=O)Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189856177 884017002 /nfs/dbraw/zinc/01/70/02/884017002.db2.gz OBDIIEPIYKCKRV-UHFFFAOYSA-N 0 0 393.487 3.925 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000189960031 884027730 /nfs/dbraw/zinc/02/77/30/884027730.db2.gz BPLIYMYGJPCYNJ-IBGZPJMESA-N 0 0 387.426 3.961 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2c(C)c(C)oc2-c2ccccc2)C1 ZINC000190015485 884042491 /nfs/dbraw/zinc/04/24/91/884042491.db2.gz ZPIHHMONWMWPSO-IRXDYDNUSA-N 0 0 381.432 3.857 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190038651 884044553 /nfs/dbraw/zinc/04/45/53/884044553.db2.gz LMZJJQXGBIDVNO-CYBMUJFWSA-N 0 0 390.509 3.507 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000190047856 884045261 /nfs/dbraw/zinc/04/52/61/884045261.db2.gz XWMKEWGDUCNNBL-SJLPKXTDSA-N 0 0 399.472 3.621 10 0 GHAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Nc4nccs4)CC3)c2)n1 ZINC000190414568 884077534 /nfs/dbraw/zinc/07/75/34/884077534.db2.gz RLIRFAOKOSXKRO-UHFFFAOYSA-N 0 0 395.532 3.721 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190417366 884078977 /nfs/dbraw/zinc/07/89/77/884078977.db2.gz VYJPUTLDIKJWAM-LJQANCHMSA-N 0 0 396.516 3.510 10 0 GHAERN CCCCOc1ccc(CNC(=O)N2CCC(n3cncn3)CC2)cc1Cl ZINC000190643995 884105510 /nfs/dbraw/zinc/10/55/10/884105510.db2.gz FWYPGMXMAMIRDS-UHFFFAOYSA-N 0 0 391.903 3.657 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000190882859 884118978 /nfs/dbraw/zinc/11/89/78/884118978.db2.gz MPWMRWDSESAKQG-NRFANRHFSA-N 0 0 381.476 3.901 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@@](=O)Cc2ccccc2Cl)cc1 ZINC000191202342 884162211 /nfs/dbraw/zinc/16/22/11/884162211.db2.gz WTSHJQAFAJGEOB-SIBVEZHUSA-N 0 0 391.920 3.961 10 0 GHAERN Cn1ccc2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)c21 ZINC000191579304 884201468 /nfs/dbraw/zinc/20/14/68/884201468.db2.gz XDMXULBVORKYDO-UHFFFAOYSA-N 0 0 379.435 3.808 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000191813470 884212914 /nfs/dbraw/zinc/21/29/14/884212914.db2.gz BKOPFOZRAHVKHB-SJLPKXTDSA-N 0 0 386.517 3.978 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)c2)no1 ZINC000064330891 884227401 /nfs/dbraw/zinc/22/74/01/884227401.db2.gz IADDELMGDMMXCY-KPKJPENVSA-N 0 0 388.427 3.589 10 0 GHAERN C[C@H](NC(=O)NCC1CCC2(CC1)OCCO2)c1ncc(-c2ccccc2)o1 ZINC000192283368 884247220 /nfs/dbraw/zinc/24/72/20/884247220.db2.gz RNJJSCABQFLMAC-HNNXBMFYSA-N 0 0 385.464 3.635 10 0 GHAERN Cc1cccc([C@H](NC(=O)NCC2CCC3(CC2)OCCO3)c2ccccn2)c1 ZINC000192330822 884251361 /nfs/dbraw/zinc/25/13/61/884251361.db2.gz KRDJLGAGJSCYCZ-NRFANRHFSA-N 0 0 395.503 3.712 10 0 GHAERN CCCCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000192329749 884251840 /nfs/dbraw/zinc/25/18/40/884251840.db2.gz SNAJBFZNHWGXPJ-UHFFFAOYSA-N 0 0 385.445 3.563 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000102695942 884281431 /nfs/dbraw/zinc/28/14/31/884281431.db2.gz MXFBYTDNUZDSAG-ZIAGYGMSSA-N 0 0 376.884 3.885 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1OC ZINC000192738725 884295684 /nfs/dbraw/zinc/29/56/84/884295684.db2.gz VLBZFGFHKSWXFA-HNNXBMFYSA-N 0 0 395.463 3.548 10 0 GHAERN CCO[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000192788781 884298548 /nfs/dbraw/zinc/29/85/48/884298548.db2.gz KVSKLAVJAKUBEO-NRFANRHFSA-N 0 0 398.478 3.572 10 0 GHAERN CSCc1ccccc1NC(=O)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192927545 884301755 /nfs/dbraw/zinc/30/17/55/884301755.db2.gz QMEGQLQZAJOIPK-UHFFFAOYSA-N 0 0 396.512 3.583 10 0 GHAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000193261246 884335216 /nfs/dbraw/zinc/33/52/16/884335216.db2.gz BHNMOBFOJRGVGC-MRXNPFEDSA-N 0 0 391.393 3.973 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000193369729 884345421 /nfs/dbraw/zinc/34/54/21/884345421.db2.gz SVNYOTSCAONVMN-WMZOPIPTSA-N 0 0 391.924 3.801 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCc3c(cccc3NC(C)=O)C2)ccc1OC ZINC000193403810 884349726 /nfs/dbraw/zinc/34/97/26/884349726.db2.gz MWJHCFQUAPUMKQ-PKNBQFBNSA-N 0 0 394.471 3.650 10 0 GHAERN CCc1cc(NC(=O)c2c(C)nn(-c3ccc(Br)cc3)c2C)n[nH]1 ZINC000102785193 884454226 /nfs/dbraw/zinc/45/42/26/884454226.db2.gz JYJRLDWGIMSHMO-UHFFFAOYSA-N 0 0 388.269 3.789 10 0 GHAERN CCOc1ccc(NC(=O)CNC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000105191088 884671433 /nfs/dbraw/zinc/67/14/33/884671433.db2.gz ROZODVYHUIHTHU-UHFFFAOYSA-N 0 0 385.464 3.771 10 0 GHAERN CSc1ccc(N2C[C@H](C(=O)NC3(c4ccccc4)CCC3)CC2=O)cc1 ZINC000105692167 884831907 /nfs/dbraw/zinc/83/19/07/884831907.db2.gz GXMVIHBOIBNAAO-MRXNPFEDSA-N 0 0 380.513 3.957 10 0 GHAERN C[C@H](C(=O)N(C)C1CCCCC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692203 884834557 /nfs/dbraw/zinc/83/45/57/884834557.db2.gz REXXEJUTMKUCSP-FIKIJFGZSA-N 0 0 392.384 3.939 10 0 GHAERN COCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccncc1 ZINC000105734444 884846311 /nfs/dbraw/zinc/84/63/11/884846311.db2.gz QVRZLNVWUPKDRO-LBPRGKRZSA-N 0 0 388.497 3.520 10 0 GHAERN CCOc1ccc(-c2nc(C[S@@](=O)CC(=O)NC(C)(C)CC)cs2)cc1 ZINC000105665441 884873136 /nfs/dbraw/zinc/87/31/36/884873136.db2.gz BUGBAZSOBOAZIY-SANMLTNESA-N 0 0 394.562 3.762 10 0 GHAERN O=C(Nc1cccc(COc2cccc(F)c2)c1)N1CCC(n2cncn2)CC1 ZINC000101744236 885951094 /nfs/dbraw/zinc/95/10/94/885951094.db2.gz VQMKJCKUWHCETF-UHFFFAOYSA-N 0 0 395.438 3.865 10 0 GHAERN C[C@@H](c1nnc(-c2ccccc2)o1)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921863 885958984 /nfs/dbraw/zinc/95/89/84/885958984.db2.gz YNINRXIFFZDQLW-KSSFIOAISA-N 0 0 395.438 3.833 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCc3nnc(-c4ccsc4)o3)c21 ZINC000103128830 885984333 /nfs/dbraw/zinc/98/43/33/885984333.db2.gz JLXLWFBDGNNUFK-UHFFFAOYSA-N 0 0 380.473 3.879 10 0 GHAERN CCOc1cccc([C@@H](C)NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000105203237 886013716 /nfs/dbraw/zinc/01/37/16/886013716.db2.gz NDNBXXZJAHRSDB-KUHUBIRLSA-N 0 0 379.464 3.662 10 0 GHAERN COc1ccc([C@@H](C)N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000105775617 886021232 /nfs/dbraw/zinc/02/12/32/886021232.db2.gz DXCHQRZGAXBSSU-OAHLLOKOSA-N 0 0 386.517 3.829 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000106166656 886027704 /nfs/dbraw/zinc/02/77/04/886027704.db2.gz SQHRUNCFLNIXDX-UHFFFAOYSA-N 0 0 394.491 3.628 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(Cc2nccn2C)CC1 ZINC000106164982 886027761 /nfs/dbraw/zinc/02/77/61/886027761.db2.gz NZBNMSJPRGRFSL-CQSZACIVSA-N 0 0 394.441 3.721 10 0 GHAERN COc1ccccc1C[C@H](C)CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000107245690 886045286 /nfs/dbraw/zinc/04/52/86/886045286.db2.gz FRBBJCVKLBXLSB-BTYIYWSLSA-N 0 0 378.476 3.596 10 0 GHAERN C[C@H](NC(=O)NCc1cccnc1-n1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000029734891 886227787 /nfs/dbraw/zinc/22/77/87/886227787.db2.gz LRFLEHOYXYLYOV-ZDUSSCGKSA-N 0 0 389.381 3.847 10 0 GHAERN COc1ccccc1-c1noc(CN(C)Cc2ccc(Br)o2)n1 ZINC000030215884 886241890 /nfs/dbraw/zinc/24/18/90/886241890.db2.gz NXIFLSKOYQWMMA-UHFFFAOYSA-N 0 0 378.226 3.733 10 0 GHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2c2cc(C)nc(-c3ccncc3)n2)o1 ZINC000112075276 886249396 /nfs/dbraw/zinc/24/93/96/886249396.db2.gz JWTIGHGMWUFBGX-IBGZPJMESA-N 0 0 384.443 3.842 10 0 GHAERN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218204 886286976 /nfs/dbraw/zinc/28/69/76/886286976.db2.gz HERLPUHXRUSPGO-INIZCTEOSA-N 0 0 375.476 3.698 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000114590626 886316509 /nfs/dbraw/zinc/31/65/09/886316509.db2.gz OMFFBRFWEAQTDG-XLIONFOSSA-N 0 0 381.524 3.507 10 0 GHAERN O=C(Nc1cccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c1)C1CCC1 ZINC000114821720 886329250 /nfs/dbraw/zinc/32/92/50/886329250.db2.gz YPMSEMJALBUSMO-KRWDZBQOSA-N 0 0 398.532 3.971 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000117668413 886389741 /nfs/dbraw/zinc/38/97/41/886389741.db2.gz CSUIESRHZBJPQE-IFXJQAMLSA-N 0 0 387.501 3.903 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)n1 ZINC000120015709 886496901 /nfs/dbraw/zinc/49/69/01/886496901.db2.gz LYMSTLNOVADEOL-ZDUSSCGKSA-N 0 0 381.427 3.960 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccccc3OCC(F)F)CC2)n1 ZINC000120185840 886504465 /nfs/dbraw/zinc/50/44/65/886504465.db2.gz YTFNUJXNWNOSHY-UHFFFAOYSA-N 0 0 390.434 3.824 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)CCC2 ZINC000332690475 886539928 /nfs/dbraw/zinc/53/99/28/886539928.db2.gz RVWPHSXEQSZAOH-HBMCJLEFSA-N 0 0 396.535 3.844 10 0 GHAERN COc1ccc(-c2cncc(C(=O)N3CCC(Cc4nccn4C)CC3)c2)cc1 ZINC000121892097 886570314 /nfs/dbraw/zinc/57/03/14/886570314.db2.gz FLMZUKAQUOADNT-UHFFFAOYSA-N 0 0 390.487 3.586 10 0 GHAERN CCN(C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)[C@@H](C)c1cccnc1 ZINC000124352708 886734950 /nfs/dbraw/zinc/73/49/50/886734950.db2.gz VTXCGEMBPAHNAP-SCLBCKFNSA-N 0 0 383.427 3.794 10 0 GHAERN CCCO[C@@H]1CCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000124490327 886755394 /nfs/dbraw/zinc/75/53/94/886755394.db2.gz UJFXNDUSNZOZJJ-CRAIPNDOSA-N 0 0 390.459 3.597 10 0 GHAERN O=C(Nc1ccn(CCc2ccncc2)n1)N1CC=C(c2ccccc2F)CC1 ZINC000124817638 886802019 /nfs/dbraw/zinc/80/20/19/886802019.db2.gz BBZQHPQBMWPLHJ-UHFFFAOYSA-N 0 0 391.450 3.981 10 0 GHAERN O=C(C=Cc1ccc(OCc2ccccn2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125797271 886900018 /nfs/dbraw/zinc/90/00/18/886900018.db2.gz MZWYHZWQEVVVIK-RMKNXTFCSA-N 0 0 388.471 3.803 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3nc(-c4cccs4)no3)CCO2)o1 ZINC000127393250 887057940 /nfs/dbraw/zinc/05/79/40/887057940.db2.gz ZXLXOBCWTZWTMM-OAHLLOKOSA-N 0 0 387.461 3.622 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000127888972 887116485 /nfs/dbraw/zinc/11/64/85/887116485.db2.gz CJEMOLRJRNJTCF-LJQANCHMSA-N 0 0 377.448 3.569 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000105025484 887314041 /nfs/dbraw/zinc/31/40/41/887314041.db2.gz ACMROTFNYXBZBU-UHFFFAOYSA-N 0 0 399.560 3.950 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000105043673 887328006 /nfs/dbraw/zinc/32/80/06/887328006.db2.gz SWGZJZQYTZNJSR-UHFFFAOYSA-N 0 0 380.448 3.944 10 0 GHAERN CC[C@@H](O)CN(Cc1ccccc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000129665541 887335484 /nfs/dbraw/zinc/33/54/84/887335484.db2.gz JZYCESUCKRJNFP-LJQANCHMSA-N 0 0 387.549 3.700 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)o1 ZINC000129791639 887348980 /nfs/dbraw/zinc/34/89/80/887348980.db2.gz CGJDHXHKVITCFA-YOBDTOFLSA-N 0 0 392.862 3.560 10 0 GHAERN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)N1CCN(C2CC2)CC1 ZINC000105076411 887453406 /nfs/dbraw/zinc/45/34/06/887453406.db2.gz GRFBEXQKEPCSCY-NRFANRHFSA-N 0 0 388.515 3.789 10 0 GHAERN COc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1NC(C)=O ZINC000131580055 887555526 /nfs/dbraw/zinc/55/55/26/887555526.db2.gz GLTOEVKSLJMBAX-UHFFFAOYSA-N 0 0 388.493 3.506 10 0 GHAERN CC[C@H](C)c1ccc([C@@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105093004 887558766 /nfs/dbraw/zinc/55/87/66/887558766.db2.gz NFNCPRNIJXWRNQ-MGPUTAFESA-N 0 0 385.533 3.883 10 0 GHAERN CCS[C@H](C)c1noc(C[S@](=O)Cc2nc(-c3cccc(C)c3)no2)n1 ZINC000133069613 887728687 /nfs/dbraw/zinc/72/86/87/887728687.db2.gz JQFDVZIEYVBVHN-MZHQLVBMSA-N 0 0 392.506 3.691 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000133540698 887775105 /nfs/dbraw/zinc/77/51/05/887775105.db2.gz CFOLSZULCZPEAJ-CQSZACIVSA-N 0 0 376.892 3.778 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000134333034 887860852 /nfs/dbraw/zinc/86/08/52/887860852.db2.gz OXCLUWKZNWKMSW-FYYLOGMGSA-N 0 0 389.499 3.602 10 0 GHAERN CCC(=O)c1cccc(NC(=O)C(=O)N2CCCCC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000134651607 887895589 /nfs/dbraw/zinc/89/55/89/887895589.db2.gz ZYINQJVUTSDTEF-SFHVURJKSA-N 0 0 396.491 3.702 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)n1 ZINC000135135235 887945958 /nfs/dbraw/zinc/94/59/58/887945958.db2.gz QDQLHDYKGHJCHZ-GFCCVEGCSA-N 0 0 376.407 3.712 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000135134507 887946283 /nfs/dbraw/zinc/94/62/83/887946283.db2.gz KICUHMINNJIFNE-QAPCUYQASA-N 0 0 387.501 3.507 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCCC3)cc1OCC ZINC000135404900 888237109 /nfs/dbraw/zinc/23/71/09/888237109.db2.gz MLPLJYMPOCYQJN-YBHKSSGVSA-N 0 0 398.507 3.693 10 0 GHAERN O=C(NCCc1nnc(-c2ccccc2)o1)N1CC=C(c2ccccc2F)CC1 ZINC000135499713 888245092 /nfs/dbraw/zinc/24/50/92/888245092.db2.gz BZQZFZLAFXATJX-UHFFFAOYSA-N 0 0 392.434 3.917 10 0 GHAERN Cc1ccc(SCCNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000053985632 888256665 /nfs/dbraw/zinc/25/66/65/888256665.db2.gz DWVGCNJZTJIWOE-KRWDZBQOSA-N 0 0 395.532 3.719 10 0 GHAERN COCCCCN(Cc1ccccc1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000057456441 888404644 /nfs/dbraw/zinc/40/46/44/888404644.db2.gz IIBFIZXQCXFYJX-HXUWFJFHSA-N 0 0 398.528 3.945 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)N[C@H](c3nnc(C)[nH]3)c3ccccc3)cs2)o1 ZINC000057796631 888413559 /nfs/dbraw/zinc/41/35/59/888413559.db2.gz DSYDNTXZLVECLS-SFHVURJKSA-N 0 0 393.472 3.586 10 0 GHAERN COc1ccc(-c2noc(CN3CCC[C@H](c4nccs4)C3)n2)c(OC)c1 ZINC000195441480 888665133 /nfs/dbraw/zinc/66/51/33/888665133.db2.gz FYWGADNMVILWFJ-ZDUSSCGKSA-N 0 0 386.477 3.590 10 0 GHAERN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000195508862 888683317 /nfs/dbraw/zinc/68/33/17/888683317.db2.gz PGUNYBHFTKFUFI-ROUUACIJSA-N 0 0 398.551 3.596 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245556819 888933679 /nfs/dbraw/zinc/93/36/79/888933679.db2.gz SEHBBIJZTSNREJ-PBEJRMEISA-N 0 0 393.487 3.580 10 0 GHAERN Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559478 888942129 /nfs/dbraw/zinc/94/21/29/888942129.db2.gz IEHMKJCUHDOOMQ-MJGOQNOKSA-N 0 0 392.906 3.783 10 0 GHAERN CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245683987 889222130 /nfs/dbraw/zinc/22/21/30/889222130.db2.gz MBNOADYGGBVZQF-NJDAHSKKSA-N 0 0 398.551 3.677 10 0 GHAERN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000245741096 889599029 /nfs/dbraw/zinc/59/90/29/889599029.db2.gz BYWJCMVBCCCXNK-IAOVAPTHSA-N 0 0 376.884 3.622 10 0 GHAERN CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1cccc(Cl)c1 ZINC000245916095 890009293 /nfs/dbraw/zinc/00/92/93/890009293.db2.gz FLTDNBZWQXJEEP-YTQUADARSA-N 0 0 389.927 3.785 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000246028878 890207555 /nfs/dbraw/zinc/20/75/55/890207555.db2.gz NIKHIQINILKNJI-LZLYRXPVSA-N 0 0 383.448 3.524 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4ccsc4)C3)cc2)CCO1 ZINC000246079995 890319985 /nfs/dbraw/zinc/31/99/85/890319985.db2.gz GJVALTQMHNFFFW-DNVCBOLYSA-N 0 0 387.505 3.579 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000246089478 890338460 /nfs/dbraw/zinc/33/84/60/890338460.db2.gz IMHHKRTTYYRHTP-CKEIUWERSA-N 0 0 392.500 3.922 10 0 GHAERN O=C(Nc1cccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1)c1cccs1 ZINC000246113294 890400483 /nfs/dbraw/zinc/40/04/83/890400483.db2.gz NQCZHJVUCHXADQ-KBAYOESNSA-N 0 0 382.485 3.688 10 0 GHAERN O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246119514 890409699 /nfs/dbraw/zinc/40/96/99/890409699.db2.gz OCXYUHYGUGTBCS-BRWVUGGUSA-N 0 0 380.448 3.693 10 0 GHAERN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000246137139 890494881 /nfs/dbraw/zinc/49/48/81/890494881.db2.gz RSWGIVZQKPYSFK-TXPKVOOTSA-N 0 0 388.826 3.551 10 0 GHAERN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246195132 890652012 /nfs/dbraw/zinc/65/20/12/890652012.db2.gz OIRVXHJNZPIVRD-MAUKXSAKSA-N 0 0 393.530 3.618 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000246349973 891053999 /nfs/dbraw/zinc/05/39/99/891053999.db2.gz GAAYBUGVNPDNRV-LZLYRXPVSA-N 0 0 399.516 3.992 10 0 GHAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067048361 891140977 /nfs/dbraw/zinc/14/09/77/891140977.db2.gz ZKVBOMJPBPJSHQ-FUHWJXTLSA-N 0 0 386.517 3.838 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccnn3C3CCCC3)cc2)C[C@@H](C)O1 ZINC000106031716 891216108 /nfs/dbraw/zinc/21/61/08/891216108.db2.gz DFOGUQXCDUPAKO-IAGOWNOFSA-N 0 0 382.508 3.860 10 0 GHAERN CO[C@@H](C)c1noc(CN2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000246453246 891247964 /nfs/dbraw/zinc/24/79/64/891247964.db2.gz LOQWSKAGQKYELS-KBPBESRZSA-N 0 0 381.908 3.928 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1)c1nccs1 ZINC000246472477 891270205 /nfs/dbraw/zinc/27/02/05/891270205.db2.gz GBKCEBZXXKEBDB-BBWFWOEESA-N 0 0 387.505 3.583 10 0 GHAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@H](C)c1noc(-c2ccccc2)n1 ZINC000246492474 891281796 /nfs/dbraw/zinc/28/17/96/891281796.db2.gz GTAIPQFKUSWCLF-UMVBOHGHSA-N 0 0 386.477 3.671 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@](=O)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000246725753 891301334 /nfs/dbraw/zinc/30/13/34/891301334.db2.gz ITTTZVSNIUZPST-JZXAWVDUSA-N 0 0 377.510 3.631 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246840178 891314001 /nfs/dbraw/zinc/31/40/01/891314001.db2.gz QJZPIRUEMQMIRQ-QXAKKESOSA-N 0 0 385.508 3.638 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc2)CCO1 ZINC000246846213 891316380 /nfs/dbraw/zinc/31/63/80/891316380.db2.gz ZMNJNFXNXWZEOX-HZPDHXFCSA-N 0 0 386.521 3.780 10 0 GHAERN COc1cc(Br)c(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1OC ZINC000247450646 891377236 /nfs/dbraw/zinc/37/72/36/891377236.db2.gz OWEKBMBLGODKKA-SUHUHFCYSA-N 0 0 399.285 3.545 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000248640705 891450357 /nfs/dbraw/zinc/45/03/57/891450357.db2.gz XGMSSHVWKGMVSC-ACRUOGEOSA-N 0 0 399.441 3.613 10 0 GHAERN CC(=O)NC(C)(C)c1noc([C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)n1 ZINC000248674237 891457147 /nfs/dbraw/zinc/45/71/47/891457147.db2.gz WSFCIYHJYJHOHK-KURKYZTESA-N 0 0 396.491 3.587 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C)CC2)c2ccc(F)cc2C1 ZINC000249070145 891492098 /nfs/dbraw/zinc/49/20/98/891492098.db2.gz JMWQWDFIPUUHPE-DJKXOVBDSA-N 0 0 375.488 3.887 10 0 GHAERN Cc1cc(C)c(N2CC[C@H](N(C)Cc3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249150289 891499742 /nfs/dbraw/zinc/49/97/42/891499742.db2.gz XOLANAWNTKLBHT-CCLHPLFOSA-N 0 0 384.545 3.587 10 0 GHAERN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000249703791 891517660 /nfs/dbraw/zinc/51/76/60/891517660.db2.gz KYAOJESRJZATSX-WTNAPCKOSA-N 0 0 390.487 3.955 10 0 GHAERN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000249926392 891532055 /nfs/dbraw/zinc/53/20/55/891532055.db2.gz ZZMAKYKYYNJZJG-IAGOWNOFSA-N 0 0 384.549 3.950 10 0 GHAERN O=C(c1cc(-c2ccccc2)on1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053289341 891981554 /nfs/dbraw/zinc/98/15/54/891981554.db2.gz NWYMDHOZKYEZGG-UHFFFAOYSA-N 0 0 381.476 3.596 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)c2ccccc21 ZINC000332968295 893386902 /nfs/dbraw/zinc/38/69/02/893386902.db2.gz JARARHULVIEHNU-BOSXTWCSSA-N 0 0 397.498 3.673 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cnc(-c3ncccn3)s2)CC1 ZINC000102379142 898007670 /nfs/dbraw/zinc/00/76/70/898007670.db2.gz UWMCPAMGISGASB-UHFFFAOYSA-N 0 0 394.500 3.704 10 0 GHAERN Cc1ccc(C(=O)Nc2cccc(CNC(=O)N(C)C[C@@H]3CCCO3)c2)cc1 ZINC000102904348 898046990 /nfs/dbraw/zinc/04/69/90/898046990.db2.gz ZOSSGLADRCFNMI-FQEVSTJZSA-N 0 0 381.476 3.568 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2CCC[C@H]2Cc2ccccc2OC)c1 ZINC000104341921 898140896 /nfs/dbraw/zinc/14/08/96/898140896.db2.gz WOWXMWAYISNLNF-FQEVSTJZSA-N 0 0 380.488 3.634 10 0 GHAERN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)[C@H]1CCc2ccccc21 ZINC000333026648 899902353 /nfs/dbraw/zinc/90/23/53/899902353.db2.gz GOEXXKXBBPSZEI-HKUYNNGSSA-N 0 0 395.503 3.969 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000333079292 899943869 /nfs/dbraw/zinc/94/38/69/899943869.db2.gz QCGBAHNEZWYMLA-GFOCRRMGSA-N 0 0 393.409 3.579 10 0 GHAERN COC1([C@@H](C)NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCOCC1 ZINC000333126989 899984300 /nfs/dbraw/zinc/98/43/00/899984300.db2.gz AIURUEDQFQYXBS-AEFFLSMTSA-N 0 0 388.508 3.706 10 0 GHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000333207814 900037688 /nfs/dbraw/zinc/03/76/88/900037688.db2.gz CFAUJRBVNVQDAZ-LILSUDLASA-N 0 0 398.547 3.637 10 0 GHAERN O=C(CN1CCCC[C@@H]1c1nc[nH]n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121742336 901667132 /nfs/dbraw/zinc/66/71/32/901667132.db2.gz OXMMQDDFRDKYAC-CYBMUJFWSA-N 0 0 387.793 3.643 10 0 GHAERN O=C(CN1CCCC[C@H]1c1nc[nH]n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121797516 901678749 /nfs/dbraw/zinc/67/87/49/901678749.db2.gz BKFNJHCODSZIKE-ZDUSSCGKSA-N 0 0 387.793 3.643 10 0 GHAERN Cc1nn(C)c(NC(=O)N2CC3(CC3)C2)c1-c1ccc(Br)cc1 ZINC000333293398 901980315 /nfs/dbraw/zinc/98/03/15/901980315.db2.gz BDOQOVALRLHOQJ-UHFFFAOYSA-N 0 0 375.270 3.786 10 0 GHAERN C[S@](=O)c1ccc(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000333317076 902001406 /nfs/dbraw/zinc/00/14/06/902001406.db2.gz WGXSZQDEHDZJKQ-PPHZAIPVSA-N 0 0 383.513 3.919 10 0 GHAERN CC1(C)CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC[S@]1=O ZINC000333616520 902226155 /nfs/dbraw/zinc/22/61/55/902226155.db2.gz OYELHDSSJVWFDZ-CBZJRKILSA-N 0 0 390.549 3.766 10 0 GHAERN CCCCOc1ccccc1COC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000103675233 904498826 /nfs/dbraw/zinc/49/88/26/904498826.db2.gz JOVHUEFNRFREFG-UHFFFAOYSA-N 0 0 388.489 3.735 10 0 GHAERN COC[C@H](C)n1c(SCC(=O)OCC(C)(C)C)nnc1-c1ccccc1 ZINC000103699850 905650950 /nfs/dbraw/zinc/65/09/50/905650950.db2.gz DKYRBVUIDRNVHZ-AWEZNQCLSA-N 0 0 377.510 3.834 10 0 GHAERN O=C(CCSc1ccccc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181195289 906940449 /nfs/dbraw/zinc/94/04/49/906940449.db2.gz GSXQCEDREVTTCR-CYBMUJFWSA-N 0 0 395.326 3.803 10 0 GHAERN O=C(CCCc1ccccc1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181394837 906991347 /nfs/dbraw/zinc/99/13/47/906991347.db2.gz MUZBCQMTHYRUTI-OAHLLOKOSA-N 0 0 377.286 3.644 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2cnn(-c3ccccc3)c2)cs1 ZINC000186120738 907880518 /nfs/dbraw/zinc/88/05/18/907880518.db2.gz CATCKXYDVZPFKW-IBGZPJMESA-N 0 0 381.505 3.726 10 0 GHAERN CCOc1cc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)ccc1OC ZINC000186695857 907967089 /nfs/dbraw/zinc/96/70/89/907967089.db2.gz BKMBDDZPUDORMX-INIZCTEOSA-N 0 0 375.494 3.906 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)cs1 ZINC000187071601 908031690 /nfs/dbraw/zinc/03/16/90/908031690.db2.gz XAFUZEWIKGZWAT-SJCJKPOMSA-N 0 0 396.509 3.507 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCCNC(=O)NC2CCCCC2)cs1 ZINC000189999064 908399183 /nfs/dbraw/zinc/39/91/83/908399183.db2.gz QBUPZAZIOIRVRO-KRWDZBQOSA-N 0 0 378.542 3.527 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000190012781 908402180 /nfs/dbraw/zinc/40/21/80/908402180.db2.gz UZWDJBGYHBANFD-HNNXBMFYSA-N 0 0 397.422 3.564 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000190009820 908402296 /nfs/dbraw/zinc/40/22/96/908402296.db2.gz QDVMVBKTWDUAFE-IAGOWNOFSA-N 0 0 389.883 3.832 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000190049187 908412970 /nfs/dbraw/zinc/41/29/70/908412970.db2.gz RHTPKHVAHXGDQW-OCCSQVGLSA-N 0 0 375.812 3.688 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)C1 ZINC000190051055 908413014 /nfs/dbraw/zinc/41/30/14/908413014.db2.gz RDTNCJWDSWVTTB-MSOLQXFVSA-N 0 0 399.491 3.664 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2csc(C)c2)C1 ZINC000190141155 908437068 /nfs/dbraw/zinc/43/70/68/908437068.db2.gz OXCIQECUNDIKSM-HOCLYGCPSA-N 0 0 399.476 3.804 10 0 GHAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000192570652 908800838 /nfs/dbraw/zinc/80/08/38/908800838.db2.gz KEJIUIQSDIUBPP-GDBMZVCRSA-N 0 0 391.313 3.890 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CCO2)n1 ZINC000194349386 908938035 /nfs/dbraw/zinc/93/80/35/908938035.db2.gz WQPPNPKADCUARX-RDJZCZTQSA-N 0 0 391.468 3.587 10 0 GHAERN COc1ccc(CCC(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000103815925 911179883 /nfs/dbraw/zinc/17/98/83/911179883.db2.gz YPCSHPBFIFHKOV-IBGZPJMESA-N 0 0 398.503 3.595 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)C2CCCCC2)c2ccc(F)cc2C1 ZINC000184025736 1014570626 /nfs/dbraw/zinc/57/06/26/1014570626.db2.gz CLWVSSGMKRBIOC-JLTOFOAXSA-N 0 0 375.488 3.887 10 0 GHAERN COc1ccc(Br)c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000018891482 206296105 /nfs/dbraw/zinc/29/61/05/206296105.db2.gz AKMRDPCROANIJM-LLVKDONJSA-N 0 0 392.249 3.720 10 0 GHAERN CCCc1[nH]c2ccnn2c(=O)c1Cc1ccc(-c2ccccc2C(N)=O)cc1 ZINC000100046908 206303132 /nfs/dbraw/zinc/30/31/32/206303132.db2.gz MBNJQQVYWQAUCB-UHFFFAOYSA-N 0 0 386.455 3.744 10 0 GHAERN FC(F)(F)c1ccc(-c2cnnc(NCCCOc3cccnc3)n2)cc1 ZINC000011665254 206829396 /nfs/dbraw/zinc/82/93/96/206829396.db2.gz AEYDIYMDAGLJBW-UHFFFAOYSA-N 0 0 375.354 3.833 10 0 GHAERN Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)C2(c4ccccc4)CC2)C3)n1 ZINC000011995357 206846489 /nfs/dbraw/zinc/84/64/89/206846489.db2.gz VDFMABZKTNSGCY-HXUWFJFHSA-N 0 0 399.494 3.912 10 0 GHAERN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccco2)cc1 ZINC000015412564 207051359 /nfs/dbraw/zinc/05/13/59/207051359.db2.gz IZXZNWLGNMTWNJ-HXUWFJFHSA-N 0 0 380.375 3.548 10 0 GHAERN CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1=O ZINC000016017955 207070885 /nfs/dbraw/zinc/07/08/85/207070885.db2.gz LGJCTMXZDUNACC-GOEBONIOSA-N 0 0 386.879 3.969 10 0 GHAERN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019335724 207116643 /nfs/dbraw/zinc/11/66/43/207116643.db2.gz NIDUOVHCZYCISV-ZDUSSCGKSA-N 0 0 387.436 3.722 10 0 GHAERN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4cccc(C)c4)s3)CC2=O)cc1 ZINC000020367580 207189377 /nfs/dbraw/zinc/18/93/77/207189377.db2.gz NFOBFKAEVAZMJM-INIZCTEOSA-N 0 0 392.484 3.928 10 0 GHAERN O=C(NCc1cnc2nc(NC(=O)c3ccccc3)sc2c1)c1ccccc1 ZINC000089229846 208105301 /nfs/dbraw/zinc/10/53/01/208105301.db2.gz ZDGUDXCNKQDXRQ-UHFFFAOYSA-N 0 0 388.452 3.874 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]([S@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084893 208152986 /nfs/dbraw/zinc/15/29/86/208152986.db2.gz GBTCCZTXRGQMFI-MZHQLVBMSA-N 0 0 395.912 3.790 10 0 GHAERN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cnc(Cl)nc2Cl)CC1 ZINC000095074762 208153228 /nfs/dbraw/zinc/15/32/28/208153228.db2.gz NYJBOPHPMJAQJW-UHFFFAOYSA-N 0 0 375.300 3.615 10 0 GHAERN O=C(/C=C\c1ccccc1Cl)N1CCC(S(=O)(=O)Cc2ccco2)CC1 ZINC000101323161 208390084 /nfs/dbraw/zinc/39/00/84/208390084.db2.gz CKZNASMOANRWOM-FPLPWBNLSA-N 0 0 393.892 3.552 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(c3ccc(N4CCCCCC4)nn3)CC2)cc1 ZINC000064757171 136157568 /nfs/dbraw/zinc/15/75/68/136157568.db2.gz YPEXLKVZKSUYER-UHFFFAOYSA-N 0 0 393.535 3.564 10 0 GHAERN O=C(NC1CC1)c1ccc(OC[C@@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000065179314 222107577 /nfs/dbraw/zinc/10/75/77/222107577.db2.gz GFJFEINRRBJQKA-OAHLLOKOSA-N 0 0 384.501 3.572 10 0 GHAERN COc1ccc2c(c1)[nH]c1c2CCN2C[C@@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801873 222360567 /nfs/dbraw/zinc/36/05/67/222360567.db2.gz YRWVTQHOXFHJIY-SUYCEMCWSA-N 0 0 382.460 3.535 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1Cc1nc(Cc3ccccc3)no1)CCCC2 ZINC000276072217 527094302 /nfs/dbraw/zinc/09/43/02/527094302.db2.gz UVSYAFIJMOFJAH-LJQANCHMSA-N 0 0 377.492 3.610 10 0 GHAERN CCCCN(C)C(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227898 535208560 /nfs/dbraw/zinc/20/85/60/535208560.db2.gz XKYSTGAZCSJGDV-KRWDZBQOSA-N 0 0 397.523 3.874 10 0 GHAERN CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)C[C@@H](c2cccc(C)c2)C1 ZINC000034710922 570303025 /nfs/dbraw/zinc/30/30/25/570303025.db2.gz OYOVIYDQFYWGBQ-WOJBJXKFSA-N 0 0 397.494 3.586 10 0 GHAERN Cc1cccc(CN(Cc2nc(C(=O)NCc3ccncc3)co2)C(C)C)c1 ZINC000036083059 570529647 /nfs/dbraw/zinc/52/96/47/570529647.db2.gz PIFDLLHMNSVUNJ-UHFFFAOYSA-N 0 0 378.476 3.719 10 0 GHAERN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)Cc3ccccc3)cc2C)s1 ZINC000033007702 570620972 /nfs/dbraw/zinc/62/09/72/570620972.db2.gz SKOHRLVJFZSLOS-UHFFFAOYSA-N 0 0 389.502 3.895 10 0 GHAERN CCNC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000006871945 570663983 /nfs/dbraw/zinc/66/39/83/570663983.db2.gz ZWZJINVEWGTSAZ-IBGZPJMESA-N 0 0 385.439 3.559 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CCC3)C[C@@H]1c1nc(-c2cccnc2)no1 ZINC000097123570 570664846 /nfs/dbraw/zinc/66/48/46/570664846.db2.gz PXYHLXOIWGOOKJ-LIRRHRJNSA-N 0 0 389.459 3.888 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@@H]1COc2ccccc21 ZINC000189674288 570772506 /nfs/dbraw/zinc/77/25/06/570772506.db2.gz CIOCVPPSYRNIDF-WMZOPIPTSA-N 0 0 378.472 3.829 10 0 GHAERN Cc1sc2c(ncn(C(C)C)c2=O)c1C(=O)NCc1cccc(Cl)c1 ZINC000065297324 570786900 /nfs/dbraw/zinc/78/69/00/570786900.db2.gz QVPOTEBTPSSWBP-UHFFFAOYSA-N 0 0 375.881 3.931 10 0 GHAERN O=C(Nc1cncc(-c2cc3cnn([C@H]4CCCCO4)c3cn2)c1)C1CCC1 ZINC000498050789 570909275 /nfs/dbraw/zinc/90/92/75/570909275.db2.gz RAQAURGQAGOOBR-HXUWFJFHSA-N 0 0 377.448 3.931 10 0 GHAERN COc1ccc(OC[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000037605987 571038196 /nfs/dbraw/zinc/03/81/96/571038196.db2.gz IXBDQZKZLURUQK-MRXNPFEDSA-N 0 0 396.270 3.922 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000105014690 837499427 /nfs/dbraw/zinc/49/94/27/837499427.db2.gz ZWRKEAVKOOJLDY-OAHLLOKOSA-N 0 0 377.322 3.898 10 0 GHAERN CC(C)c1nc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1-c1c(Cl)cccc1Cl ZINC000103426258 837743104 /nfs/dbraw/zinc/74/31/04/837743104.db2.gz NZISZCJJXFLSMY-VXGBXAGGSA-N 0 0 397.306 3.947 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000156576567 834439759 /nfs/dbraw/zinc/43/97/59/834439759.db2.gz DZFMFMALJXHUPJ-SFHVURJKSA-N 0 0 389.503 3.533 10 0 GHAERN Cc1csc(C2CCN([C@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)n1 ZINC000156680039 834499500 /nfs/dbraw/zinc/49/95/00/834499500.db2.gz HOAYTYGQNBRRKD-QAPCUYQASA-N 0 0 385.533 3.659 10 0 GHAERN O=C(C=Cc1cnc2ccccc2n1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000588611535 834755554 /nfs/dbraw/zinc/75/55/54/834755554.db2.gz JJNIXNBAHIZWRW-KTKRTIGZSA-N 0 0 389.430 3.904 10 0 GHAERN O=C(c1noc2c1CCCCC2)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000278351559 834778364 /nfs/dbraw/zinc/77/83/64/834778364.db2.gz GOZHWXUDSONQGN-NSHDSACASA-N 0 0 382.386 3.705 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCO1 ZINC000246060195 834793751 /nfs/dbraw/zinc/79/37/51/834793751.db2.gz CIRZHQPIYLZHDI-HFTRVMKXSA-N 0 0 376.522 3.590 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(C(C)C)nc4ccccc43)CCO2)n1 ZINC000110900892 834801230 /nfs/dbraw/zinc/80/12/30/834801230.db2.gz VNKBEHUAIDLPEK-GOSISDBHSA-N 0 0 392.503 3.713 10 0 GHAERN CC(C)[C@H](NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000198186067 834852262 /nfs/dbraw/zinc/85/22/62/834852262.db2.gz NRXBKHUMRGTGNV-QHCPKHFHSA-N 0 0 399.579 3.615 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)CC2)n1 ZINC000111844811 834998944 /nfs/dbraw/zinc/99/89/44/834998944.db2.gz ZBXCKVQXBGFPJU-DNVCBOLYSA-N 0 0 397.523 3.579 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cc(F)c(F)cc3F)CC2)n1 ZINC000187054683 835064273 /nfs/dbraw/zinc/06/42/73/835064273.db2.gz YSTCGEJACLWWGM-UHFFFAOYSA-N 0 0 393.413 3.680 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc(F)ccc3Br)CC2)nc1 ZINC000157732219 835065854 /nfs/dbraw/zinc/06/58/54/835065854.db2.gz DHXWNCNWJPZGHB-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)CC2)nc1 ZINC000157759764 835076817 /nfs/dbraw/zinc/07/68/17/835076817.db2.gz HNAIMYUHFZFVJH-UNMCSNQZSA-N 0 0 379.504 3.643 10 0 GHAERN CCc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)o1 ZINC000158602466 835468651 /nfs/dbraw/zinc/46/86/51/835468651.db2.gz UDICKYPODGBJNL-ZHACJKMWSA-N 0 0 382.460 3.741 10 0 GHAERN CCc1nc(C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)nn1-c1ccccc1 ZINC000329662140 835556808 /nfs/dbraw/zinc/55/68/08/835556808.db2.gz OSHPEHADUCDNPF-MRXNPFEDSA-N 0 0 395.532 3.923 10 0 GHAERN C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1c(Cl)ccc(F)c1Cl ZINC000101798369 835586469 /nfs/dbraw/zinc/58/64/69/835586469.db2.gz GUXOCQQNMUAFIN-JTQLQIEISA-N 0 0 386.258 3.832 10 0 GHAERN COc1ccc(OC)c(CN(Cc2nnc(-c3ccccc3OC)o2)C2CC2)c1 ZINC000159031696 835694906 /nfs/dbraw/zinc/69/49/06/835694906.db2.gz KESOCWVRFZXOIE-UHFFFAOYSA-N 0 0 395.459 3.927 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000246078654 835962650 /nfs/dbraw/zinc/96/26/50/835962650.db2.gz GHLVMEUQEJJYCJ-KDOFPFPSSA-N 0 0 385.430 3.905 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCCc1nc(C(C)(C)C)cs1)C2 ZINC000112749221 836279629 /nfs/dbraw/zinc/27/96/29/836279629.db2.gz PHCDRVJHSZVURQ-UHFFFAOYSA-N 0 0 389.569 3.608 10 0 GHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)c2csc3c2CC[C@@H](C)C3)o1 ZINC000275226476 836422936 /nfs/dbraw/zinc/42/29/36/836422936.db2.gz AFEOERDVIQRPQV-IUODEOHRSA-N 0 0 375.494 3.593 10 0 GHAERN O=C(Cc1cn2ccsc2n1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000328655660 836549673 /nfs/dbraw/zinc/54/96/73/836549673.db2.gz NALMIQPHFZQIGW-LBPRGKRZSA-N 0 0 384.436 3.625 10 0 GHAERN CC(C)O[C@H]1C[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000332796481 836641197 /nfs/dbraw/zinc/64/11/97/836641197.db2.gz TWTIDNFVPZDBMJ-XGXHKWSGSA-N 0 0 377.529 3.640 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)c3csc4c3CC[C@@H](C)C4)CCO2)o1 ZINC000275483564 837117313 /nfs/dbraw/zinc/11/73/13/837117313.db2.gz VSMAKBYRDSGSSZ-DOMZBBRYSA-N 0 0 375.494 3.593 10 0 GHAERN O=C(NCCCc1nc2ccccc2[nH]1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177361 837272094 /nfs/dbraw/zinc/27/20/94/837272094.db2.gz QAQMRXUEZHHWLN-QFIPXVFZSA-N 0 0 385.471 3.979 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2NC1=O ZINC000103315397 837302550 /nfs/dbraw/zinc/30/25/50/837302550.db2.gz HJJOKVVPUXUFPM-XOBRGWDASA-N 0 0 388.427 3.712 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c1Br ZINC000408055820 838085413 /nfs/dbraw/zinc/08/54/13/838085413.db2.gz AUPHXTIVGKLDNU-VFVRVIDISA-N 0 0 398.345 3.841 10 0 GHAERN Cc1ccc(O)c(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000179607459 838547535 /nfs/dbraw/zinc/54/75/35/838547535.db2.gz NGAKLSKRZGABPM-YLSHDAJPSA-N 0 0 382.504 3.847 10 0 GHAERN CC(C)c1cccc(S(=O)(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000183191400 838912656 /nfs/dbraw/zinc/91/26/56/838912656.db2.gz MTWICUBRINSVCF-SFHVURJKSA-N 0 0 388.537 3.654 10 0 GHAERN O=C([C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000115364658 839124195 /nfs/dbraw/zinc/12/41/95/839124195.db2.gz ADJDYKJASUMTTG-CZUORRHYSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cc(C)c1Cl ZINC000408429391 844441285 /nfs/dbraw/zinc/44/12/85/844441285.db2.gz YBFRNFQNALSOBD-OAHLLOKOSA-N 0 0 381.929 3.529 10 0 GHAERN CN(c1cccnn1)C1CCN(C(=O)c2ccc(OC3CCCCC3)cc2)CC1 ZINC000117792743 839835067 /nfs/dbraw/zinc/83/50/67/839835067.db2.gz DZZLQHYEUUYKDB-UHFFFAOYSA-N 0 0 394.519 3.929 10 0 GHAERN C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(n2cncn2)CC1 ZINC000109699447 840523624 /nfs/dbraw/zinc/52/36/24/840523624.db2.gz FGPVFCBSQYOPSU-GFCCVEGCSA-N 0 0 392.385 3.745 10 0 GHAERN O=C(NCc1ccnc(N2CCCCCC2)c1)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000332795832 844555558 /nfs/dbraw/zinc/55/55/58/844555558.db2.gz IWJPQDZOKQFULZ-HYBUGGRVSA-N 0 0 391.515 3.819 10 0 GHAERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000408110555 840872374 /nfs/dbraw/zinc/87/23/74/840872374.db2.gz RQZXAEZIWLVQFY-LLBVYWAGSA-N 0 0 378.520 3.937 10 0 GHAERN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000588402494 840876276 /nfs/dbraw/zinc/87/62/76/840876276.db2.gz MASPLSQUBJILLP-KLBHJJEPSA-N 0 0 395.528 3.873 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000106368436 840928877 /nfs/dbraw/zinc/92/88/77/840928877.db2.gz HIQDGDXTFIFRSK-HNNXBMFYSA-N 0 0 388.320 3.870 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000332889740 844611468 /nfs/dbraw/zinc/61/14/68/844611468.db2.gz SOKKQQRFUGKCIO-ALYAQQCSSA-N 0 0 396.457 3.851 10 0 GHAERN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408154978 841291115 /nfs/dbraw/zinc/29/11/15/841291115.db2.gz OBIGCOTVVCSUBL-YJYMSZOUSA-N 0 0 378.444 3.856 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1Cl ZINC000120530619 841334605 /nfs/dbraw/zinc/33/46/05/841334605.db2.gz WMECTEBAXHSXHH-IBGZPJMESA-N 0 0 387.915 3.749 10 0 GHAERN Cc1cn(-c2ccc(Cl)cc2)nc1N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O ZINC000329264920 861220413 /nfs/dbraw/zinc/22/04/13/861220413.db2.gz FQLXDTMFGICYMB-COXVUDFISA-N 0 0 384.867 3.934 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246500113 841756447 /nfs/dbraw/zinc/75/64/47/841756447.db2.gz HNIANFXOZPHFOA-CLCXKQKWSA-N 0 0 396.940 3.557 10 0 GHAERN O=C(Cc1coc2cc3c(cc12)CCC3)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000105933095 841820667 /nfs/dbraw/zinc/82/06/67/841820667.db2.gz SAEPTRQQRSRACK-QGZVFWFLSA-N 0 0 395.484 3.550 10 0 GHAERN CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H]3c3noc(C)n3)c12 ZINC000329318487 861280088 /nfs/dbraw/zinc/28/00/88/861280088.db2.gz QWPMUXHQFLMZNF-MRXNPFEDSA-N 0 0 381.436 3.721 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000588427437 842198781 /nfs/dbraw/zinc/19/87/81/842198781.db2.gz ODWOAJFYTPZMNS-VLTCRDJCSA-N 0 0 393.487 3.584 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408192603 842246034 /nfs/dbraw/zinc/24/60/34/842246034.db2.gz OEKQGCVOZGJDAA-LTFPLMDUSA-N 0 0 392.927 3.895 10 0 GHAERN COc1ccccc1N1C[C@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)CC1=O ZINC000328846791 842576396 /nfs/dbraw/zinc/57/63/96/842576396.db2.gz SEBQHWCAYJLTSK-NVXWUHKLSA-N 0 0 399.516 3.567 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc(Br)o1)CCCC2 ZINC000279272744 842782749 /nfs/dbraw/zinc/78/27/49/842782749.db2.gz WMYNCXZGBGQKPU-CYBMUJFWSA-N 0 0 378.270 3.632 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1F ZINC000588445004 842807872 /nfs/dbraw/zinc/80/78/72/842807872.db2.gz DVQOBFOXOIQMFK-IRVMHKCDSA-N 0 0 390.499 3.637 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000408365921 842892151 /nfs/dbraw/zinc/89/21/51/842892151.db2.gz MAYZYOHHSRFAGI-BRWVUGGUSA-N 0 0 384.929 3.542 10 0 GHAERN COc1ccc([C@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2nccn2C)cc1 ZINC000163138282 842967531 /nfs/dbraw/zinc/96/75/31/842967531.db2.gz JQWFXWJSEMAHHH-INIZCTEOSA-N 0 0 385.855 3.697 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000161917257 843165804 /nfs/dbraw/zinc/16/58/04/843165804.db2.gz HQXOZNNXFRHWMG-UHFFFAOYSA-N 0 0 377.410 3.921 10 0 GHAERN COc1ccc([C@@H]2CCCCCN2C(=O)CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000328959196 843198454 /nfs/dbraw/zinc/19/84/54/843198454.db2.gz OWWYDQMSODKPPE-VXKWHMMOSA-N 0 0 396.535 3.710 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000162378961 843242749 /nfs/dbraw/zinc/24/27/49/843242749.db2.gz VZMRWSXGKKOHIT-UHFFFAOYSA-N 0 0 383.883 3.559 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000162446713 843253587 /nfs/dbraw/zinc/25/35/87/843253587.db2.gz RUVHEZDLWXAEMM-UHFFFAOYSA-N 0 0 396.716 3.931 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546681 843272752 /nfs/dbraw/zinc/27/27/52/843272752.db2.gz VOPWAMSCIQKLMW-AUUYWEPGSA-N 0 0 377.448 3.510 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112421457 843349727 /nfs/dbraw/zinc/34/97/27/843349727.db2.gz VHHHUJFFSCFPAN-UHFFFAOYSA-N 0 0 393.896 3.790 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000588455617 843357414 /nfs/dbraw/zinc/35/74/14/843357414.db2.gz SBLCUVMNPMMVBV-FRHQNKJESA-N 0 0 388.467 3.832 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259409 843624349 /nfs/dbraw/zinc/62/43/49/843624349.db2.gz KXWBGLLRPKQJFM-VGOFRKELSA-N 0 0 384.524 3.508 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330307804 843640880 /nfs/dbraw/zinc/64/08/80/843640880.db2.gz LYQUEZMMIAFMNF-AUUYWEPGSA-N 0 0 388.464 3.641 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000408265024 843665500 /nfs/dbraw/zinc/66/55/00/843665500.db2.gz ODXNBVUGOXQKRH-UHFFFAOYSA-N 0 0 393.915 3.997 10 0 GHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCCN(C(=O)C4CC4)CC3)cc2s1 ZINC000408404049 843861366 /nfs/dbraw/zinc/86/13/66/843861366.db2.gz NJGQIKWRXHVYMH-UHFFFAOYSA-N 0 0 392.912 3.734 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)N[C@H](C)c3ccc(Cl)s3)CCO2)o1 ZINC000332933356 844665549 /nfs/dbraw/zinc/66/55/49/844665549.db2.gz IWXMQSAINGUTET-GHMZBOCLSA-N 0 0 384.889 3.752 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4sc5ccccc5c43)C2)n1 ZINC000333372524 845088492 /nfs/dbraw/zinc/08/84/92/845088492.db2.gz ZIMYKQFSDAHELE-OAHLLOKOSA-N 0 0 378.505 3.969 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@@](C)(c2ccccc2)CC1)C1(O)CCOCC1 ZINC000333415540 845165353 /nfs/dbraw/zinc/16/53/53/845165353.db2.gz RVPIJFOYZUOLBH-JOCHJYFZSA-N 0 0 388.552 3.708 10 0 GHAERN O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151401501 845201143 /nfs/dbraw/zinc/20/11/43/845201143.db2.gz KWMJZXFFHXHEPK-UHFFFAOYSA-N 0 0 377.366 3.591 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000248958992 845481139 /nfs/dbraw/zinc/48/11/39/845481139.db2.gz MADLSJDKTGFECX-HFBAOOFYSA-N 0 0 397.397 3.564 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248969317 845483373 /nfs/dbraw/zinc/48/33/73/845483373.db2.gz OTZDOKRXVKZLOP-MSOLQXFVSA-N 0 0 387.484 3.608 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)c1 ZINC000151779799 845713535 /nfs/dbraw/zinc/71/35/35/845713535.db2.gz LNZVTJXINPORPR-UHFFFAOYSA-N 0 0 391.515 3.834 10 0 GHAERN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000329533864 861605639 /nfs/dbraw/zinc/60/56/39/861605639.db2.gz YISAEQVPIJAYFI-SFHVURJKSA-N 0 0 379.439 3.591 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)ccc1F ZINC000152045816 846173365 /nfs/dbraw/zinc/17/33/65/846173365.db2.gz ILYBDTZZYYLNKL-QRBZPYHOSA-N 0 0 396.422 3.806 10 0 GHAERN COc1cccc(/C=C(\C(=O)O[C@@H](C)CCCC(F)(F)F)n2nnnc2C)c1 ZINC000588510113 846770614 /nfs/dbraw/zinc/77/06/14/846770614.db2.gz HBELRNDJBZZLOV-JASJWYONSA-N 0 0 398.385 3.653 10 0 GHAERN Cn1cc([C@H](NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c2ccc(F)cc2)cn1 ZINC000333633383 847616182 /nfs/dbraw/zinc/61/61/82/847616182.db2.gz RGNKBWQBZGYDBE-PSUQGZDPSA-N 0 0 382.483 3.726 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3SCCc4sccc43)C2)no1 ZINC000329635258 861855274 /nfs/dbraw/zinc/85/52/74/861855274.db2.gz UJMOYKBBCQMUMV-IUODEOHRSA-N 0 0 377.535 3.991 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 ZINC000329636723 861857852 /nfs/dbraw/zinc/85/78/52/861857852.db2.gz VIPWFAIQPDWZDB-ZDUSSCGKSA-N 0 0 390.534 3.711 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccnc2-c2ccc(Cl)s2)c1 ZINC000588545987 848210365 /nfs/dbraw/zinc/21/03/65/848210365.db2.gz KPLASOOQBHFMDG-DAXSKMNVSA-N 0 0 398.875 3.870 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)N1CCC[C@H](c2nccs2)C1 ZINC000153182331 848240886 /nfs/dbraw/zinc/24/08/86/848240886.db2.gz XLVJOBLYHYKJOK-AWEZNQCLSA-N 0 0 385.518 3.751 10 0 GHAERN Cc1cn2c(CN3CCC(NC(=O)c4ccccc4C)CC3)c(C)nc2s1 ZINC000153290870 848337400 /nfs/dbraw/zinc/33/74/00/848337400.db2.gz FHONZIINTFNYKK-UHFFFAOYSA-N 0 0 382.533 3.715 10 0 GHAERN CCC1CCC(c2noc(C3CCN(c4ccc5nncn5n4)CC3)n2)CC1 ZINC000329649626 861899769 /nfs/dbraw/zinc/89/97/69/861899769.db2.gz FKGWTQQPYRYWKI-UHFFFAOYSA-N 0 0 381.484 3.575 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000153669432 848881202 /nfs/dbraw/zinc/88/12/02/848881202.db2.gz UWYSYXPAIFBOIW-IFXJQAMLSA-N 0 0 385.464 3.722 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000153700554 848933249 /nfs/dbraw/zinc/93/32/49/848933249.db2.gz KLIWKGYOGVOIDP-IBGZPJMESA-N 0 0 385.464 3.675 10 0 GHAERN C[C@H](Cc1ccccc1Cl)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000154500784 849304051 /nfs/dbraw/zinc/30/40/51/849304051.db2.gz KZOXDPCCNXELPR-OAHLLOKOSA-N 0 0 390.936 3.955 10 0 GHAERN Fc1ccc(-c2nc(CSc3nnc(NC[C@H]4CCCO4)s3)no2)cc1 ZINC000031626119 849953685 /nfs/dbraw/zinc/95/36/85/849953685.db2.gz CCAUAPVQVHTHNP-GFCCVEGCSA-N 0 0 393.469 3.610 10 0 GHAERN Cc1cccc(F)c1-n1nc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c1CCC2 ZINC000333754638 850085699 /nfs/dbraw/zinc/08/56/99/850085699.db2.gz OCMFPUGTVMTREZ-WAIKUNEKSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333828100 851217971 /nfs/dbraw/zinc/21/79/71/851217971.db2.gz KZGBFJQBTRTRNB-MONNZBOPSA-N 0 0 386.540 3.544 10 0 GHAERN CCCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)CCCCC1 ZINC000101841944 851951472 /nfs/dbraw/zinc/95/14/72/851951472.db2.gz SLFXUHHQYAHMDN-QFBILLFUSA-N 0 0 399.535 3.630 10 0 GHAERN CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000101976904 852062670 /nfs/dbraw/zinc/06/26/70/852062670.db2.gz IDVIBTZUAPXENK-UTKZUKDTSA-N 0 0 383.492 3.707 10 0 GHAERN COc1ccc(C(=O)NCC(=O)N2Cc3ccccc3-c3ccccc3C2)cc1 ZINC000101959547 852072453 /nfs/dbraw/zinc/07/24/53/852072453.db2.gz QSJRSPODWOKUCD-UHFFFAOYSA-N 0 0 386.451 3.634 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3C[C@@H]4CC[C@H](O)C[C@H]4C3)sc2C1 ZINC000333933202 853248201 /nfs/dbraw/zinc/24/82/01/853248201.db2.gz HMDQRVCQMNTQHF-XQLPTFJDSA-N 0 0 377.554 3.919 10 0 GHAERN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333944391 853250536 /nfs/dbraw/zinc/25/05/36/853250536.db2.gz RXFDMOGMDNNAPL-ZWWNWMABSA-N 0 0 387.499 3.585 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]1O ZINC000333963253 853279677 /nfs/dbraw/zinc/27/96/77/853279677.db2.gz NRRUVAGONNXPNY-XVMOGABASA-N 0 0 392.443 3.741 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171723822 853722494 /nfs/dbraw/zinc/72/24/94/853722494.db2.gz GACVYVFSHBTPLS-CABCVRRESA-N 0 0 389.546 3.606 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000334063572 853845486 /nfs/dbraw/zinc/84/54/86/853845486.db2.gz CDOMNMMGRTXGFA-VXIBKDFQSA-N 0 0 398.532 3.732 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000328737580 854521459 /nfs/dbraw/zinc/52/14/59/854521459.db2.gz LTWOJJALVPHGJY-PMPSAXMXSA-N 0 0 378.398 3.989 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000124826197 854647073 /nfs/dbraw/zinc/64/70/73/854647073.db2.gz FHLDPJYSZCFGNQ-ZBFHGGJFSA-N 0 0 399.457 3.960 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)CC2)on1 ZINC000127505291 854999416 /nfs/dbraw/zinc/99/94/16/854999416.db2.gz UKLYULXHPXIZBJ-HXUWFJFHSA-N 0 0 382.508 3.524 10 0 GHAERN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000072250115 855000380 /nfs/dbraw/zinc/00/03/80/855000380.db2.gz MWZBRXVZNOAKTI-LBPRGKRZSA-N 0 0 393.281 3.635 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000189166016 855044910 /nfs/dbraw/zinc/04/49/10/855044910.db2.gz DFHJATYIVSKLTF-HWPZZCPQSA-N 0 0 389.240 3.886 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1c1cccc3ccccc31)CC2 ZINC000114977348 855047441 /nfs/dbraw/zinc/04/74/41/855047441.db2.gz FPMUNQWNRYKXBX-PXNSSMCTSA-N 0 0 389.503 3.855 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127651191 855053631 /nfs/dbraw/zinc/05/36/31/855053631.db2.gz XHODDIGOJQDWIS-AWEZNQCLSA-N 0 0 387.505 3.813 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000330175355 862635476 /nfs/dbraw/zinc/63/54/76/862635476.db2.gz JAHCAZSQYLKTHS-PXNSSMCTSA-N 0 0 375.428 3.551 10 0 GHAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1c(F)cccc1Cl ZINC000128790124 855132358 /nfs/dbraw/zinc/13/23/58/855132358.db2.gz UGSGXYCGCVVXQC-ZDUSSCGKSA-N 0 0 378.879 3.938 10 0 GHAERN Cc1noc(CCNC(=O)[C@@H](Sc2ccc(F)cc2F)c2ccccc2)n1 ZINC000105957074 855157104 /nfs/dbraw/zinc/15/71/04/855157104.db2.gz AJRCTFFPAMGISW-SFHVURJKSA-N 0 0 389.427 3.849 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)C1 ZINC000190131721 855418795 /nfs/dbraw/zinc/41/87/95/855418795.db2.gz UBIJILCKWSXNKG-XKQJLSEDSA-N 0 0 394.422 3.525 10 0 GHAERN CC(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000128723761 855885989 /nfs/dbraw/zinc/88/59/89/855885989.db2.gz LWMQAFCJNMZIKX-GOSISDBHSA-N 0 0 388.537 3.654 10 0 GHAERN C[C@@H](NC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccc(Cl)cc1 ZINC000103298339 856115585 /nfs/dbraw/zinc/11/55/85/856115585.db2.gz MXDMJSXPENSAHP-CYBMUJFWSA-N 0 0 397.857 3.520 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000030999824 856136414 /nfs/dbraw/zinc/13/64/14/856136414.db2.gz UBHLQASUELJCJO-CYBMUJFWSA-N 0 0 395.513 3.934 10 0 GHAERN CC(C)[C@@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1 ZINC000041787883 856325688 /nfs/dbraw/zinc/32/56/88/856325688.db2.gz QMHCIOZONQXRKY-LJQANCHMSA-N 0 0 399.560 3.853 10 0 GHAERN O=C(C1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)N1CCCCCC1 ZINC000042688810 856413511 /nfs/dbraw/zinc/41/35/11/856413511.db2.gz ZEZMHSGKISBFTF-UHFFFAOYSA-N 0 0 386.511 3.889 10 0 GHAERN COc1ccc(C2=CSC3=NNC(c4ccc(OC)c(OC)c4)=CN23)cc1 ZINC000001050608 856460912 /nfs/dbraw/zinc/46/09/12/856460912.db2.gz DGCYSHYXKICZMJ-UHFFFAOYSA-N 0 0 381.457 3.932 10 0 GHAERN Cc1cc(NC(=O)NC[C@@H](O)Cc2ccccc2)ccc1NC(=O)c1ccco1 ZINC000105021978 856461499 /nfs/dbraw/zinc/46/14/99/856461499.db2.gz KTGBJBYHWAENJE-SFHVURJKSA-N 0 0 393.443 3.565 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)NC[C@@H](O)Cc3ccccc3)cc2)n1 ZINC000105031238 856463030 /nfs/dbraw/zinc/46/30/30/856463030.db2.gz FZYJPZBMGSCLGG-SFHVURJKSA-N 0 0 380.448 3.585 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C12CCOCC2 ZINC000185859711 856470626 /nfs/dbraw/zinc/47/06/26/856470626.db2.gz QOMBIXUMFHTMDZ-NZSAHSFTSA-N 0 0 388.508 3.562 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000186015277 856477817 /nfs/dbraw/zinc/47/78/17/856477817.db2.gz GZNKURQEBJQHRW-UHFFFAOYSA-N 0 0 375.423 3.541 10 0 GHAERN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000045313089 856713991 /nfs/dbraw/zinc/71/39/91/856713991.db2.gz CBXZDICYFMNJLW-AZUAARDMSA-N 0 0 381.524 3.620 10 0 GHAERN CCOc1ccccc1CCC(=O)N[C@@H](c1nccn1C)c1ccccc1OC ZINC000058411827 857296835 /nfs/dbraw/zinc/29/68/35/857296835.db2.gz OUHSFGQHZGLJOS-JOCHJYFZSA-N 0 0 393.487 3.666 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000158736085 858074890 /nfs/dbraw/zinc/07/48/90/858074890.db2.gz XJVDRGNGZNNPJA-LEWJYISDSA-N 0 0 397.563 3.603 10 0 GHAERN Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330346321 863029832 /nfs/dbraw/zinc/02/98/32/863029832.db2.gz GJOPUACMGGAPEC-XMSQKQJNSA-N 0 0 392.503 3.694 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)CC2 ZINC000133586770 858813720 /nfs/dbraw/zinc/81/37/20/858813720.db2.gz DRQMKGTYKDROQB-YUELXQCFSA-N 0 0 392.425 3.655 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)CC2 ZINC000134104505 858831667 /nfs/dbraw/zinc/83/16/67/858831667.db2.gz GNGPVKIMAVQCLX-QGZVFWFLSA-N 0 0 386.927 3.998 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1c1ccccc1Cl)CC2 ZINC000161545063 859687990 /nfs/dbraw/zinc/68/79/90/859687990.db2.gz GAHAELLHRNBJRR-WMLDXEAASA-N 0 0 387.915 3.916 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1 ZINC000102035410 860109027 /nfs/dbraw/zinc/10/90/27/860109027.db2.gz RRMMEFKALSXBOO-UHFFFAOYSA-N 0 0 393.472 3.943 10 0 GHAERN Cc1ccccc1-n1c(SC[C@@H](O)COC(C)C)nnc1-c1cccnc1 ZINC000102608841 860361801 /nfs/dbraw/zinc/36/18/01/860361801.db2.gz LAPGJEHFJNAOAT-KRWDZBQOSA-N 0 0 384.505 3.516 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCSc4ccc(F)cc43)CCO2)n1 ZINC000282399872 860683313 /nfs/dbraw/zinc/68/33/13/860683313.db2.gz KMNREBIDVLILOM-GJZGRUSLSA-N 0 0 393.509 3.911 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccccc3-n3cccn3)C2)c1 ZINC000102529933 860749381 /nfs/dbraw/zinc/74/93/81/860749381.db2.gz CNJLEWYSKOFGHB-KRWDZBQOSA-N 0 0 391.475 3.529 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3OC)CC2)cc1 ZINC000102530974 860754395 /nfs/dbraw/zinc/75/43/95/860754395.db2.gz ORHLKWHAXWCYMY-UHFFFAOYSA-N 0 0 395.503 3.932 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(-c4noc(C5CC5)n4)c3)C2)c1 ZINC000173097248 860804079 /nfs/dbraw/zinc/80/40/79/860804079.db2.gz VUYAVCLNNUKDND-GOSISDBHSA-N 0 0 377.448 3.596 10 0 GHAERN O=C(Nc1ccccc1-n1ncc2c1nc[nH]c2=O)c1cccc2ccccc21 ZINC000102819044 860870312 /nfs/dbraw/zinc/87/03/12/860870312.db2.gz NEJBHPBMUJOHDJ-UHFFFAOYSA-N 0 0 381.395 3.514 10 0 GHAERN O=C([C@@H]1CCCc2sccc21)N1CCOC[C@H]1c1nnc(-c2ccccc2)o1 ZINC000329146179 861066301 /nfs/dbraw/zinc/06/63/01/861066301.db2.gz AMIXLCQEIGQHFO-SJORKVTESA-N 0 0 395.484 3.818 10 0 GHAERN COc1ccc(CNS(=O)(=O)c2cc(F)ccc2Cl)cc1OC(F)F ZINC000103154469 863897008 /nfs/dbraw/zinc/89/70/08/863897008.db2.gz JMCWYXQZGWVEGV-UHFFFAOYSA-N 0 0 395.786 3.568 10 0 GHAERN COc1ccc(CCC(=O)NCCc2c[nH]c3cccc(C)c23)c(OC)c1OC ZINC000103127792 863926354 /nfs/dbraw/zinc/92/63/54/863926354.db2.gz BIJHCXOBBHSRRD-UHFFFAOYSA-N 0 0 396.487 3.794 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 ZINC000103316262 863956397 /nfs/dbraw/zinc/95/63/97/863956397.db2.gz MPUKALYWLFETES-INIZCTEOSA-N 0 0 391.531 3.686 10 0 GHAERN CC[C@@H](CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1 ZINC000103432656 863982315 /nfs/dbraw/zinc/98/23/15/863982315.db2.gz IPQXTGRTGJFMPW-INIZCTEOSA-N 0 0 376.451 3.506 10 0 GHAERN CC(C)Oc1ccc(F)cc1NC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000103788951 864054180 /nfs/dbraw/zinc/05/41/80/864054180.db2.gz FNKRNWQQCXGKNQ-CYBMUJFWSA-N 0 0 397.443 3.943 10 0 GHAERN O=C(Nc1scnc1-c1ccccc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103782508 864091199 /nfs/dbraw/zinc/09/11/99/864091199.db2.gz PSCRTQZGRMXDKM-UHFFFAOYSA-N 0 0 382.836 3.692 10 0 GHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000103974414 864141662 /nfs/dbraw/zinc/14/16/62/864141662.db2.gz FMEBOJJMXGTWHN-KRWDZBQOSA-N 0 0 378.451 3.530 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)NCc2cc(F)ccc2F)n1 ZINC000104560580 864339052 /nfs/dbraw/zinc/33/90/52/864339052.db2.gz GIVKNZANTLMVKR-UHFFFAOYSA-N 0 0 375.400 3.879 10 0 GHAERN C[C@@H](c1nnc(-c2ccccc2)o1)n1nnc(-c2ccc(Br)cc2)n1 ZINC000104897359 864695195 /nfs/dbraw/zinc/69/51/95/864695195.db2.gz BFSJWEXSGXLGDI-NSHDSACASA-N 0 0 397.236 3.762 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178652421 865171809 /nfs/dbraw/zinc/17/18/09/865171809.db2.gz IBPQSGZDTMTXER-XMSQKQJNSA-N 0 0 381.476 3.711 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c2ccccc2O1 ZINC000121058911 881858944 /nfs/dbraw/zinc/85/89/44/881858944.db2.gz CUZAHHBRSLQAAY-RTBURBONSA-N 0 0 393.487 3.562 10 0 GHAERN CN(C)C(=O)c1ccc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc1 ZINC000302002225 865661927 /nfs/dbraw/zinc/66/19/27/865661927.db2.gz XFKOYMSCZYHYIO-GOSISDBHSA-N 0 0 375.476 3.558 10 0 GHAERN C[C@H]1CCCN(c2cc(N3CCC(c4nc5ccccc5[nH]4)CC3)ncn2)C1 ZINC000110125810 866611401 /nfs/dbraw/zinc/61/14/01/866611401.db2.gz SJSIKIDSOGWRKK-INIZCTEOSA-N 0 0 376.508 3.973 10 0 GHAERN Cc1nc(CN2CCCN(c3ncnc4c5ccccc5oc43)CC2)cs1 ZINC000110565885 866646130 /nfs/dbraw/zinc/64/61/30/866646130.db2.gz MAPAQMOUESSIMJ-UHFFFAOYSA-N 0 0 379.489 3.853 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)[C@@H](C)CC)C3)C2)n1 ZINC000113205297 866751591 /nfs/dbraw/zinc/75/15/91/866751591.db2.gz HCZVYRZCILFXEZ-GVDBMIGSSA-N 0 0 391.581 3.696 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000114569800 866768966 /nfs/dbraw/zinc/76/89/66/866768966.db2.gz WRXHQDQAQKCHGK-WOJBJXKFSA-N 0 0 398.507 3.964 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)Cc1coc3cc(C)c(C(C)C)cc13)CC2 ZINC000114864768 866774265 /nfs/dbraw/zinc/77/42/65/866774265.db2.gz JIBRQIQULUICSO-INIZCTEOSA-N 0 0 380.492 3.692 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1c1cccc3ccccc31)CC2 ZINC000114977343 866776654 /nfs/dbraw/zinc/77/66/54/866776654.db2.gz FPMUNQWNRYKXBX-YLJYHZDGSA-N 0 0 389.503 3.855 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC[C@H](c3cc[nH]n3)C2)ccc1OC(F)F ZINC000170675288 882046321 /nfs/dbraw/zinc/04/63/21/882046321.db2.gz ONQZTZGQHFUMLY-VFADXPBXSA-N 0 0 391.418 3.829 10 0 GHAERN CC(C)[C@@H](NC(=O)NC[C@H]1CCN(C)c2ccccc21)c1nc(C2CC2)no1 ZINC000170811714 882057197 /nfs/dbraw/zinc/05/71/97/882057197.db2.gz UWDXAJZDLICHHQ-CRAIPNDOSA-N 0 0 383.496 3.567 10 0 GHAERN COc1cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cc(OC)c1OC ZINC000170890627 882067450 /nfs/dbraw/zinc/06/74/50/882067450.db2.gz LJSYUSGTPWDKCL-HNNXBMFYSA-N 0 0 390.505 3.508 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000171384933 882103762 /nfs/dbraw/zinc/10/37/62/882103762.db2.gz YGRLEFUNBRJFFJ-SFHVURJKSA-N 0 0 399.516 3.865 10 0 GHAERN O=C(c1cc(Br)cnc1Cl)N1CCC(Cc2ccccn2)CC1 ZINC000171614775 882116849 /nfs/dbraw/zinc/11/68/49/882116849.db2.gz DWNSYWCJPXALJA-UHFFFAOYSA-N 0 0 394.700 3.987 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171643023 882120261 /nfs/dbraw/zinc/12/02/61/882120261.db2.gz VIHFVDIYJMADPY-INIZCTEOSA-N 0 0 394.500 3.535 10 0 GHAERN COc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000171647754 882121412 /nfs/dbraw/zinc/12/14/12/882121412.db2.gz HFOMRHLVDVBUFG-LLVKDONJSA-N 0 0 381.295 3.934 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2cccn2Cc2cccs2)CC1 ZINC000171812304 882163018 /nfs/dbraw/zinc/16/30/18/882163018.db2.gz BCZBBDPJEBVFKI-UHFFFAOYSA-N 0 0 399.541 3.648 10 0 GHAERN CC(=O)N(c1nc(CN[C@@H]2Cc3ccccc3[C@@H]2O)cs1)c1ccc(C)cc1 ZINC000172068190 882166938 /nfs/dbraw/zinc/16/69/38/882166938.db2.gz HQCWIWGXGVNHTP-RTWAWAEBSA-N 0 0 393.512 3.884 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000172152903 882173404 /nfs/dbraw/zinc/17/34/04/882173404.db2.gz BJZASEOHXJMRJJ-UHFFFAOYSA-N 0 0 376.547 3.756 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172467486 882279145 /nfs/dbraw/zinc/27/91/45/882279145.db2.gz WOSIETLEZWAFNM-FQEVSTJZSA-N 0 0 383.467 3.683 10 0 GHAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172423228 882275269 /nfs/dbraw/zinc/27/52/69/882275269.db2.gz RRNCTTDLEBKEKZ-CQSZACIVSA-N 0 0 398.898 3.860 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000172639853 882282067 /nfs/dbraw/zinc/28/20/67/882282067.db2.gz KVXKSUUTJQQOFC-QUCCMNQESA-N 0 0 388.895 3.589 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000172610757 882299930 /nfs/dbraw/zinc/29/99/30/882299930.db2.gz BVGHDCVQMBAWLX-GOEBONIOSA-N 0 0 383.521 3.619 10 0 GHAERN CCO[C@H](C)c1noc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000172841301 882313228 /nfs/dbraw/zinc/31/32/28/882313228.db2.gz RQRKJFLYZPNXAQ-QYOLQKOISA-N 0 0 395.868 3.924 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2cc(NC(C)=O)ccc2C)cc1 ZINC000172874947 882316607 /nfs/dbraw/zinc/31/66/07/882316607.db2.gz XYYMMASUHDSRDT-NRFANRHFSA-N 0 0 381.476 3.738 10 0 GHAERN CSc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172890049 882321612 /nfs/dbraw/zinc/32/16/12/882321612.db2.gz CODVDCWTCYJCMG-UHFFFAOYSA-N 0 0 389.908 3.948 10 0 GHAERN COC(=O)CCc1ccc(NCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000172903813 882323004 /nfs/dbraw/zinc/32/30/04/882323004.db2.gz XDDSWDOOPUVAJW-NRFANRHFSA-N 0 0 396.487 3.576 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)cc1 ZINC000173307032 882353544 /nfs/dbraw/zinc/35/35/44/882353544.db2.gz KUTGSQZOCUEZBL-LPHOPBHVSA-N 0 0 391.475 3.745 10 0 GHAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046489715 870434658 /nfs/dbraw/zinc/43/46/58/870434658.db2.gz RCBMXJDFZXHWKG-IAGOWNOFSA-N 0 0 394.500 3.779 10 0 GHAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000194988063 870534829 /nfs/dbraw/zinc/53/48/29/870534829.db2.gz CWFPOHYWDOGPOJ-OCCSQVGLSA-N 0 0 389.393 3.905 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053961708 870572368 /nfs/dbraw/zinc/57/23/68/870572368.db2.gz LZMHGOVYIHPOLA-ROUUACIJSA-N 0 0 380.444 3.828 10 0 GHAERN C[C@@H](CC(=O)N1CCC(Nc2ccccc2F)CC1)NC(=O)C1CCCCC1 ZINC000174083119 882422844 /nfs/dbraw/zinc/42/28/44/882422844.db2.gz NMEZJNFTSHIDTL-INIZCTEOSA-N 0 0 389.515 3.704 10 0 GHAERN COc1cccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)c1OC ZINC000174142544 882430159 /nfs/dbraw/zinc/43/01/59/882430159.db2.gz HKYOGOQAJXJHMK-UHFFFAOYSA-N 0 0 387.455 3.629 10 0 GHAERN Cc1nnc(-c2cccc(NC(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)c2)o1 ZINC000174364808 882458352 /nfs/dbraw/zinc/45/83/52/882458352.db2.gz SMWAJZIUNPHPKG-KPKJPENVSA-N 0 0 388.427 3.589 10 0 GHAERN CN(C)C(=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174591211 882483704 /nfs/dbraw/zinc/48/37/04/882483704.db2.gz CGFKFPAYWIIVNP-UHFFFAOYSA-N 0 0 384.455 3.636 10 0 GHAERN O=C(NC1CC1)c1cccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174741555 882499807 /nfs/dbraw/zinc/49/98/07/882499807.db2.gz FODKRPUDJFRUOT-UHFFFAOYSA-N 0 0 396.466 3.826 10 0 GHAERN CC(=O)N(C)c1cccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174950530 882509374 /nfs/dbraw/zinc/50/93/74/882509374.db2.gz RWNLRIWDPGQUSG-UHFFFAOYSA-N 0 0 384.455 3.917 10 0 GHAERN CN(C)C(=O)Cc1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000175141396 882528024 /nfs/dbraw/zinc/52/80/24/882528024.db2.gz CFXWGRUZGQKBDA-UHFFFAOYSA-N 0 0 398.482 3.565 10 0 GHAERN Cc1nc(-c2cccs2)ccc1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103444439 872000273 /nfs/dbraw/zinc/00/02/73/872000273.db2.gz NAYWDRMLYVMNCM-UHFFFAOYSA-N 0 0 375.494 3.763 10 0 GHAERN CCSc1nn(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(=S)s1 ZINC000101539366 872076126 /nfs/dbraw/zinc/07/61/26/872076126.db2.gz GCLJFOPCLPICRW-LBPRGKRZSA-N 0 0 388.628 3.616 10 0 GHAERN CC(C)COC(=O)N1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000101672450 872179191 /nfs/dbraw/zinc/17/91/91/872179191.db2.gz AKMBROJHCKGDQR-UHFFFAOYSA-N 0 0 389.883 3.829 10 0 GHAERN Cc1ccc(Cl)cc1N1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)CC1 ZINC000175749570 882621035 /nfs/dbraw/zinc/62/10/35/882621035.db2.gz LXNXBLBFWKCBIS-SANMLTNESA-N 0 0 391.924 3.740 10 0 GHAERN Cc1cc(C)n2nc(CCCOC(=O)[C@@]3(C)CCCc4ccccc43)nc2n1 ZINC000102123915 872614593 /nfs/dbraw/zinc/61/45/93/872614593.db2.gz OMJNWQHBTYZFNL-QFIPXVFZSA-N 0 0 378.476 3.511 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCOCc3ccccc3)C2)o1 ZINC000102141682 872637207 /nfs/dbraw/zinc/63/72/07/872637207.db2.gz AAUIAMGNCHZSJK-IBGZPJMESA-N 0 0 385.460 3.590 10 0 GHAERN Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102319930 872898833 /nfs/dbraw/zinc/89/88/33/872898833.db2.gz DIFBGEQYOUDSEP-UHFFFAOYSA-N 0 0 381.457 3.693 10 0 GHAERN CCOc1ccccc1C(=O)NCC(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000176109719 882667842 /nfs/dbraw/zinc/66/78/42/882667842.db2.gz HBRCMRYBYXZXOC-UHFFFAOYSA-N 0 0 393.418 3.655 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000176321190 882677684 /nfs/dbraw/zinc/67/76/84/882677684.db2.gz WWHMANJURALTHT-LJQANCHMSA-N 0 0 394.454 3.532 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000176344741 882681319 /nfs/dbraw/zinc/68/13/19/882681319.db2.gz SGODGPDAZQSENI-QGZVFWFLSA-N 0 0 381.411 3.906 10 0 GHAERN O=C(c1c(O)cnc2ccccc21)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000176585495 882715529 /nfs/dbraw/zinc/71/55/29/882715529.db2.gz HPGHNVDPFZTBBV-NRFANRHFSA-N 0 0 380.419 3.665 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)Nc2scnc2-c2ccccc2)cc1 ZINC000102759213 873534574 /nfs/dbraw/zinc/53/45/74/873534574.db2.gz KTSSSZQRYFCXOH-FMIVXFBMSA-N 0 0 399.497 3.834 10 0 GHAERN COc1cc(C2(C(=O)NC3CCN(c4cccc(C)n4)CC3)CC2)ccc1C ZINC000116669875 873614041 /nfs/dbraw/zinc/61/40/41/873614041.db2.gz VDVGWKVWLSLOCK-UHFFFAOYSA-N 0 0 379.504 3.524 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)NCCCCOCc3ccccc3)CC2)n1 ZINC000116951955 873797411 /nfs/dbraw/zinc/79/74/11/873797411.db2.gz VEYPSJQQENHJRO-UHFFFAOYSA-N 0 0 396.535 3.655 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CCN(c3cccc(C)n3)CC1)CCC2 ZINC000117058019 873853309 /nfs/dbraw/zinc/85/33/09/873853309.db2.gz RRFDXBDODIHMNE-SFHVURJKSA-N 0 0 399.564 3.843 10 0 GHAERN c1ncn(C2CCN([C@H](c3nc(-c4ccccc4)no3)c3ccccc3)CC2)n1 ZINC000177163355 882768702 /nfs/dbraw/zinc/76/87/02/882768702.db2.gz KVLBPFCVFRIZMO-FQEVSTJZSA-N 0 0 386.459 3.755 10 0 GHAERN COCCn1c(C)c(C)nc1[S@@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000177099704 882784211 /nfs/dbraw/zinc/78/42/11/882784211.db2.gz DXPNGXHOKDEOJX-SANMLTNESA-N 0 0 393.896 3.763 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@H]1Cn1ccnc1 ZINC000177390525 882792482 /nfs/dbraw/zinc/79/24/82/882792482.db2.gz SEIVPNGERNRKNV-SFHVURJKSA-N 0 0 395.438 3.584 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000117758607 874157319 /nfs/dbraw/zinc/15/73/19/874157319.db2.gz FCKKVNQPVIXOQP-JLTOFOAXSA-N 0 0 397.450 3.503 10 0 GHAERN CCc1nc2cc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)ccc2o1 ZINC000118044675 874319417 /nfs/dbraw/zinc/31/94/17/874319417.db2.gz GCGMNLBCTOAGET-UHFFFAOYSA-N 0 0 398.488 3.832 10 0 GHAERN O=C(CC(Cc1ccccc1)Cc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000177630420 882837900 /nfs/dbraw/zinc/83/79/00/882837900.db2.gz FJFVUMBXJFDNGP-UHFFFAOYSA-N 0 0 388.515 3.933 10 0 GHAERN CCCCOCCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000020369157 874865688 /nfs/dbraw/zinc/86/56/88/874865688.db2.gz IQGUOPLYGCIYJF-UHFFFAOYSA-N 0 0 380.916 3.515 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000178733324 882916677 /nfs/dbraw/zinc/91/66/77/882916677.db2.gz HDKJXAMJPUKVJB-CQSZACIVSA-N 0 0 391.393 3.555 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)NCc1cccc(-c2ccccn2)c1 ZINC000178710972 882933003 /nfs/dbraw/zinc/93/30/03/882933003.db2.gz MEUHXMHNJMFJON-IBGZPJMESA-N 0 0 386.455 3.674 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000178975803 882940532 /nfs/dbraw/zinc/94/05/32/882940532.db2.gz DHWRLOCILNWXJH-UHFFFAOYSA-N 0 0 381.457 3.894 10 0 GHAERN CCOc1ccccc1N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178848270 882957819 /nfs/dbraw/zinc/95/78/19/882957819.db2.gz INJOCNSTIVXKBB-UHFFFAOYSA-N 0 0 384.451 3.740 10 0 GHAERN Cc1nc2ccccc2n1CCNC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000021441738 875739709 /nfs/dbraw/zinc/73/97/09/875739709.db2.gz UGXZDCJWFXTSFX-UHFFFAOYSA-N 0 0 392.434 3.888 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@H]2CCc3ccccc32)c2ccccc2F)no1 ZINC000178890971 882961268 /nfs/dbraw/zinc/96/12/68/882961268.db2.gz AMILZHKMZKHBOV-RBUKOAKNSA-N 0 0 380.423 3.935 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179150445 882974922 /nfs/dbraw/zinc/97/49/22/882974922.db2.gz VYIQRGIPOVUSFI-INIZCTEOSA-N 0 0 388.431 3.796 10 0 GHAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000302853093 876479238 /nfs/dbraw/zinc/47/92/38/876479238.db2.gz WRJGNSSEGIAERK-CQSZACIVSA-N 0 0 394.862 3.565 10 0 GHAERN CCCc1cnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000180276248 883070945 /nfs/dbraw/zinc/07/09/45/883070945.db2.gz VSOCKZHDHVVINX-UHFFFAOYSA-N 0 0 375.469 3.726 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cc4cnn(C(C)C)c4nc3C)CC2)nc1 ZINC000180867388 883105060 /nfs/dbraw/zinc/10/50/60/883105060.db2.gz JNEXVAOCDBONCB-UHFFFAOYSA-N 0 0 393.491 3.708 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Cc3c(C)nn(C(F)F)c3C)C2)cc1 ZINC000121999805 878081983 /nfs/dbraw/zinc/08/19/83/878081983.db2.gz KZKKTFQBKFYMFJ-BLLLJJGKSA-N 0 0 377.435 3.851 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122463283 878925319 /nfs/dbraw/zinc/92/53/19/878925319.db2.gz BHKFXQSRNRZRDU-IRXDYDNUSA-N 0 0 394.441 3.558 10 0 GHAERN Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC(F)(F)F ZINC000003504212 879041567 /nfs/dbraw/zinc/04/15/67/879041567.db2.gz LDSNSFFODYSUCB-UHFFFAOYSA-N 0 0 395.410 3.618 10 0 GHAERN O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135290464 879274801 /nfs/dbraw/zinc/27/48/01/879274801.db2.gz XXOZGXIVDWYOBP-MNLRITNHSA-N 0 0 378.520 3.926 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000181053481 883120708 /nfs/dbraw/zinc/12/07/08/883120708.db2.gz PEBLJNKQBPSOAS-UHFFFAOYSA-N 0 0 396.834 3.616 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cnc(-c4ccccn4)s3)CC2)nc1 ZINC000181200846 883126529 /nfs/dbraw/zinc/12/65/29/883126529.db2.gz AODKCYCTSCKCGS-UHFFFAOYSA-N 0 0 380.473 3.592 10 0 GHAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000181720481 883175941 /nfs/dbraw/zinc/17/59/41/883175941.db2.gz NRVGVDFPKKXURA-UHFFFAOYSA-N 0 0 396.434 3.676 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000182658534 883230884 /nfs/dbraw/zinc/23/08/84/883230884.db2.gz GMLVSONACXWHJK-UXHICEINSA-N 0 0 384.524 3.819 10 0 GHAERN Brc1ccccc1-c1cnc(CN2CCCC[C@H]2c2nc[nH]n2)o1 ZINC000182715937 883232294 /nfs/dbraw/zinc/23/22/94/883232294.db2.gz LJGUHHGPJQXULK-AWEZNQCLSA-N 0 0 388.269 3.949 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](C)c3ccc(OC)c(OC)c3)cc2)CCC(=O)NC1=O ZINC000182737395 883233052 /nfs/dbraw/zinc/23/30/52/883233052.db2.gz WDESWXLXXFUKGT-CMJOXMDJSA-N 0 0 396.487 3.961 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnn(CCC(F)(F)F)c3)C2)cc1 ZINC000182772823 883235276 /nfs/dbraw/zinc/23/52/76/883235276.db2.gz IJQQEWRPLPYOFL-ZFWWWQNUSA-N 0 0 381.398 3.862 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000183151915 883240831 /nfs/dbraw/zinc/24/08/31/883240831.db2.gz OZYWIYUUBXAMTH-JTQLQIEISA-N 0 0 393.369 3.854 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183069323 883258762 /nfs/dbraw/zinc/25/87/62/883258762.db2.gz VEOBBLHGMLKSOX-MRXNPFEDSA-N 0 0 382.399 3.890 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCCc2ccccc2)c2ccc(F)cc2C1 ZINC000184017396 883298877 /nfs/dbraw/zinc/29/88/77/883298877.db2.gz FAXGONVHPICIQJ-OAQYLSRUSA-N 0 0 383.467 3.551 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2cccs2)c2ccc(F)cc2C1 ZINC000184034591 883301873 /nfs/dbraw/zinc/30/18/73/883301873.db2.gz WPKVKCFUVHCZBS-SJCJKPOMSA-N 0 0 375.469 3.741 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184453844 883336138 /nfs/dbraw/zinc/33/61/38/883336138.db2.gz SAITZJHLRUSSMS-UHFFFAOYSA-N 0 0 393.478 3.948 10 0 GHAERN CCSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185248433 883429443 /nfs/dbraw/zinc/42/94/43/883429443.db2.gz ZAQXUBZHZGEAIG-AUUYWEPGSA-N 0 0 395.544 3.792 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(Cc2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185242119 883429662 /nfs/dbraw/zinc/42/96/62/883429662.db2.gz PDKANHGOQYHXNE-QFIPXVFZSA-N 0 0 395.478 3.993 10 0 GHAERN CCc1nc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)sc1C ZINC000185376877 883444431 /nfs/dbraw/zinc/44/44/31/883444431.db2.gz GMHORMBOIMIKDE-QGZVFWFLSA-N 0 0 390.484 3.768 10 0 GHAERN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185389196 883445561 /nfs/dbraw/zinc/44/55/61/883445561.db2.gz VBJXGWIXILBYAZ-KUHUBIRLSA-N 0 0 396.487 3.557 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)cc2F)c2ccc(F)cc2C1 ZINC000185510070 883547728 /nfs/dbraw/zinc/54/77/28/883547728.db2.gz AMWZBPMYJIOKAL-SFHVURJKSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(OCC3CC3)cc2)c2ccc(F)cc2C1 ZINC000185512003 883547884 /nfs/dbraw/zinc/54/78/84/883547884.db2.gz QBYLJLVNSZNZEA-QFIPXVFZSA-N 0 0 396.462 3.838 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)c2ccc(F)cc2C1 ZINC000185508538 883547903 /nfs/dbraw/zinc/54/79/03/883547903.db2.gz CAZCWIBNKVCULQ-GOSISDBHSA-N 0 0 378.806 3.842 10 0 GHAERN CC[C@@H](OC1CCCCC1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185514853 883548826 /nfs/dbraw/zinc/54/88/26/883548826.db2.gz WOQYCIODQMLILE-LEWJYISDSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C)c(F)c2)c2ccc(F)cc2C1 ZINC000185516781 883549020 /nfs/dbraw/zinc/54/90/20/883549020.db2.gz IUTWQVORKIMQLP-FQEVSTJZSA-N 0 0 387.430 3.566 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185536990 883551336 /nfs/dbraw/zinc/55/13/36/883551336.db2.gz NJXXCASTPXSVHX-HXUWFJFHSA-N 0 0 386.442 3.852 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000185812877 883576378 /nfs/dbraw/zinc/57/63/78/883576378.db2.gz LSIALNNJUOTBLE-HZPDHXFCSA-N 0 0 389.421 3.696 10 0 GHAERN COc1cc(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)ccc1OC(C)C ZINC000186232065 883623476 /nfs/dbraw/zinc/62/34/76/883623476.db2.gz XKKWFXPZWBOHBF-LJQANCHMSA-N 0 0 395.463 3.820 10 0 GHAERN COc1ccccc1[C@H](N[C@H]1CCS(=O)(=O)c2ccccc21)c1ccccn1 ZINC000186304038 883630751 /nfs/dbraw/zinc/63/07/51/883630751.db2.gz XAWVMWRHUNUMOB-AVRDEDQJSA-N 0 0 394.496 3.688 10 0 GHAERN O=C(N1CCCN(c2ccccn2)CC1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000186428334 883643974 /nfs/dbraw/zinc/64/39/74/883643974.db2.gz FMFHOXOGYOAPQK-UHFFFAOYSA-N 0 0 399.922 3.522 10 0 GHAERN CC[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1OCC(=O)N(C)C ZINC000186541800 883662721 /nfs/dbraw/zinc/66/27/21/883662721.db2.gz PQAFTRGRUPPJIJ-SFHVURJKSA-N 0 0 396.491 3.694 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC(Oc4ccccc4)CC3)ccc2NC1=O ZINC000186574756 883664180 /nfs/dbraw/zinc/66/41/80/883664180.db2.gz ZPIHNUMWEZDTDW-UHFFFAOYSA-N 0 0 380.448 3.739 10 0 GHAERN O=S(=O)(Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(F)c(F)c1 ZINC000102581918 883670221 /nfs/dbraw/zinc/67/02/21/883670221.db2.gz NDGGLNADEHVWTH-UHFFFAOYSA-N 0 0 395.408 3.791 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3OC(F)(F)F)ccc2NC1=O ZINC000186664889 883684070 /nfs/dbraw/zinc/68/40/70/883684070.db2.gz QCKAWYGEBOMZJT-UHFFFAOYSA-N 0 0 394.353 3.884 10 0 GHAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186758958 883700260 /nfs/dbraw/zinc/70/02/60/883700260.db2.gz DBVOUNRKPXDLLG-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN CCOc1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)cc(Cl)c1O ZINC000186816552 883708782 /nfs/dbraw/zinc/70/87/82/883708782.db2.gz NKINGFBNBAFKAX-UHFFFAOYSA-N 0 0 389.883 3.547 10 0 GHAERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C1CCN(C(=O)c3ccccn3)CC1)CC2 ZINC000187047212 883733168 /nfs/dbraw/zinc/73/31/68/883733168.db2.gz XJPNJTPCTDTJBM-NRFANRHFSA-N 0 0 391.515 3.861 10 0 GHAERN O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000187247992 883773791 /nfs/dbraw/zinc/77/37/91/883773791.db2.gz AQLYGRIDHYSJJQ-QGZVFWFLSA-N 0 0 392.425 3.649 10 0 GHAERN COCCC1(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)CCCCC1 ZINC000187487922 883795302 /nfs/dbraw/zinc/79/53/02/883795302.db2.gz RRRLIVSSKSQXKE-QGZVFWFLSA-N 0 0 376.522 3.593 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccc(COC4CCCC4)cc3)CC2)n[nH]1 ZINC000188270108 883841366 /nfs/dbraw/zinc/84/13/66/883841366.db2.gz PCVSXIHRCRDCSU-UHFFFAOYSA-N 0 0 383.496 3.531 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2)n1 ZINC000188593749 883844298 /nfs/dbraw/zinc/84/42/98/883844298.db2.gz YQUGJRAXQBBKFX-SZTZYQKNSA-N 0 0 380.416 3.666 10 0 GHAERN CCOc1cc(CN2CCn3c(C(C)C)nnc3[C@H]2C)ccc1OC(F)F ZINC000188488672 883853345 /nfs/dbraw/zinc/85/33/45/883853345.db2.gz FTGDLAIMKMAMBG-CYBMUJFWSA-N 0 0 380.439 3.978 10 0 GHAERN Cc1cc(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)c2cccnc2c1C ZINC000188684154 883870228 /nfs/dbraw/zinc/87/02/28/883870228.db2.gz XQKQPPUMEGCYIF-SFHVURJKSA-N 0 0 389.455 3.739 10 0 GHAERN CN(C)c1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1Cl ZINC000188908626 883884420 /nfs/dbraw/zinc/88/44/20/883884420.db2.gz BUBHACMZLNALDS-UHFFFAOYSA-N 0 0 379.917 3.971 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)C(=O)N(C3CC3)C3CCC(C)CC3)c2)o1 ZINC000189069367 883900743 /nfs/dbraw/zinc/90/07/43/883900743.db2.gz TVAFGZKYLVNVEP-UHFFFAOYSA-N 0 0 396.491 3.807 10 0 GHAERN CCOc1cc(Br)ccc1NC(=O)N1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000189769638 883993210 /nfs/dbraw/zinc/99/32/10/883993210.db2.gz XRPWPAHUACKLGO-AAEUAGOBSA-N 0 0 399.285 3.511 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1)C1CC1 ZINC000189853529 884017361 /nfs/dbraw/zinc/01/73/61/884017361.db2.gz MVXMDCXVTKBINL-UHFFFAOYSA-N 0 0 376.456 3.744 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc2c(c1)NC(=O)C2 ZINC000190031267 884043683 /nfs/dbraw/zinc/04/36/83/884043683.db2.gz SCONMQFKEYOGJQ-QFIPXVFZSA-N 0 0 382.423 3.577 10 0 GHAERN O=S(=O)(Cc1cccc2cccnc21)N1CC2(CCOCC2)c2ccccc21 ZINC000190262707 884061525 /nfs/dbraw/zinc/06/15/25/884061525.db2.gz DUAZQQUVTLIYBP-UHFFFAOYSA-N 0 0 394.496 3.633 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c(C)n1Cc1ccccn1 ZINC000190373861 884072460 /nfs/dbraw/zinc/07/24/60/884072460.db2.gz OBLFAOCVJZLHJE-UHFFFAOYSA-N 0 0 395.532 3.721 10 0 GHAERN CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2O1 ZINC000190493133 884086020 /nfs/dbraw/zinc/08/60/20/884086020.db2.gz ILWRKUCMZACXNI-NRFANRHFSA-N 0 0 384.480 3.804 10 0 GHAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000191031588 884147399 /nfs/dbraw/zinc/14/73/99/884147399.db2.gz JWTNKNNRCBMEFH-CYBMUJFWSA-N 0 0 388.443 3.935 10 0 GHAERN O=C(N[C@@H](c1ccco1)c1ccccc1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000105092683 884167280 /nfs/dbraw/zinc/16/72/80/884167280.db2.gz YUUHNRKMCGVFOK-PGRDOPGGSA-N 0 0 389.455 3.753 10 0 GHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000191408159 884177893 /nfs/dbraw/zinc/17/78/93/884177893.db2.gz YDDHFDFWJHSDGR-OIISXLGYSA-N 0 0 376.522 3.508 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c2ccccc2)[nH]1 ZINC000192313176 884251266 /nfs/dbraw/zinc/25/12/66/884251266.db2.gz BKKBTVCHEDYBPD-OAHLLOKOSA-N 0 0 391.262 3.913 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCSc2ccc(F)cc21 ZINC000193260203 884335145 /nfs/dbraw/zinc/33/51/45/884335145.db2.gz RIVRTGNRYSCJCO-YOEHRIQHSA-N 0 0 385.464 3.788 10 0 GHAERN CC[C@@H](C)c1ccc(NC(=O)C[S@@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711843 884840660 /nfs/dbraw/zinc/84/06/60/884840660.db2.gz TZGZQETVSDAUBV-QWVSSGJLSA-N 0 0 387.461 3.731 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000104350414 885386442 /nfs/dbraw/zinc/38/64/42/885386442.db2.gz KYGYZPHMJSUQLY-CQSZACIVSA-N 0 0 384.442 3.647 10 0 GHAERN CNC(=O)[C@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000104356819 885390350 /nfs/dbraw/zinc/39/03/50/885390350.db2.gz HNCVTJWBROQIJC-GOSISDBHSA-N 0 0 388.552 3.657 10 0 GHAERN O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1coc(Br)c1 ZINC000104430303 885428670 /nfs/dbraw/zinc/42/86/70/885428670.db2.gz IYFMMDSVQODJQA-UHFFFAOYSA-N 0 0 397.122 3.969 10 0 GHAERN Cc1ccc(SCCNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000009889041 885786874 /nfs/dbraw/zinc/78/68/74/885786874.db2.gz FMEJUIPCOIQBMC-UHFFFAOYSA-N 0 0 388.558 3.817 10 0 GHAERN Cn1c2cc(NCc3nc(-c4ccc(C(F)(F)F)cc4)no3)ccc2oc1=O ZINC000102394556 885969911 /nfs/dbraw/zinc/96/99/11/885969911.db2.gz JIWGCUZREGERQT-UHFFFAOYSA-N 0 0 390.321 3.812 10 0 GHAERN O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103315136 885989963 /nfs/dbraw/zinc/98/99/63/885989963.db2.gz HPFNKJKEAZDLKQ-NRFANRHFSA-N 0 0 386.455 3.885 10 0 GHAERN Cc1cc(C(=O)CN2CCC(n3cncn3)CC2)c(C)n1CCc1cccs1 ZINC000103472000 885994938 /nfs/dbraw/zinc/99/49/38/885994938.db2.gz WUASHCPEHUTLNE-UHFFFAOYSA-N 0 0 397.548 3.520 10 0 GHAERN Cc1nc(C[S@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cs1 ZINC000105682944 886019338 /nfs/dbraw/zinc/01/93/38/886019338.db2.gz LSQZYJUNHLIMKF-RUZDIDTESA-N 0 0 387.408 3.969 10 0 GHAERN Cc1sc2nc([C@@H](C)N3CCC(Cc4nccn4C)CC3)nc(N)c2c1C ZINC000106164484 886027594 /nfs/dbraw/zinc/02/75/94/886027594.db2.gz AGHLRNPTGFILHC-CYBMUJFWSA-N 0 0 384.553 3.640 10 0 GHAERN Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1Cl ZINC000027962418 886083640 /nfs/dbraw/zinc/08/36/40/886083640.db2.gz RAROEAXJLWCFPJ-GFCCVEGCSA-N 0 0 396.925 3.599 10 0 GHAERN NC(=O)c1ccc(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)cc1F ZINC000111755079 886236866 /nfs/dbraw/zinc/23/68/66/886236866.db2.gz FXXZKMMRJNLAJP-UHFFFAOYSA-N 0 0 396.397 3.866 10 0 GHAERN COc1ccccc1-c1cccc(NC(=O)N2CCC(n3cncn3)CC2)c1 ZINC000111774214 886237680 /nfs/dbraw/zinc/23/76/80/886237680.db2.gz ZYECRQPOBFJORQ-UHFFFAOYSA-N 0 0 377.448 3.823 10 0 GHAERN O=C(Cc1cccc(C(F)(F)F)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307520 886258269 /nfs/dbraw/zinc/25/82/69/886258269.db2.gz QRJSFVAQXZVZIY-UHFFFAOYSA-N 0 0 396.434 3.684 10 0 GHAERN Cc1ccccc1OCCCC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307025 886258287 /nfs/dbraw/zinc/25/82/87/886258287.db2.gz RQNPVYNXSKLDJU-UHFFFAOYSA-N 0 0 386.517 3.590 10 0 GHAERN O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218921 886286586 /nfs/dbraw/zinc/28/65/86/886286586.db2.gz DNPPDVMJKCSJDC-IBGZPJMESA-N 0 0 398.470 3.677 10 0 GHAERN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218328 886287043 /nfs/dbraw/zinc/28/70/43/886287043.db2.gz SYNALXHCASPELS-SFHVURJKSA-N 0 0 398.466 3.938 10 0 GHAERN O=C(Nc1cccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1)C1CCC1 ZINC000114821721 886328408 /nfs/dbraw/zinc/32/84/08/886328408.db2.gz YPMSEMJALBUSMO-QGZVFWFLSA-N 0 0 398.532 3.971 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1OC ZINC000117627166 886388202 /nfs/dbraw/zinc/38/82/02/886388202.db2.gz JIXDDSDFFIOMGA-BMLIUANNSA-N 0 0 392.249 3.970 10 0 GHAERN CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1C ZINC000117631169 886388783 /nfs/dbraw/zinc/38/87/83/886388783.db2.gz NGNHHAGTLWFCMJ-YJYMSZOUSA-N 0 0 388.489 3.650 10 0 GHAERN Cc1nc([C@H](NC(=O)/C=C/c2ccnc3ccccc23)c2ccccc2F)no1 ZINC000117672365 886390255 /nfs/dbraw/zinc/39/02/55/886390255.db2.gz KHNJFMRKFXXOLN-RQWLHQTBSA-N 0 0 388.402 3.984 10 0 GHAERN COCc1ccc([C@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)o1 ZINC000119113230 886427736 /nfs/dbraw/zinc/42/77/36/886427736.db2.gz MGWJPYCBRHCABR-CYBMUJFWSA-N 0 0 395.253 3.575 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3nnc(/C=C/c4ccco4)s3)CCO2)o1 ZINC000119614618 886470148 /nfs/dbraw/zinc/47/01/48/886470148.db2.gz DBNBULDNPNJSCA-ZKKXHLJNSA-N 0 0 386.433 3.808 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@@H](CSc3ccccc3)C1)CCC2 ZINC000332697255 886540071 /nfs/dbraw/zinc/54/00/71/886540071.db2.gz ZSOGJMLCTDRNRP-QZTJIDSGSA-N 0 0 384.549 3.893 10 0 GHAERN Cn1cc([C@H]2CN(C(=O)N[C@H]3CCC[C@@H](C(C)(C)C)CC3)C[C@@H]2C(N)=O)cn1 ZINC000332786512 886545846 /nfs/dbraw/zinc/54/58/46/886545846.db2.gz UOBQSIVRHREEAD-XDNAFOTISA-N 0 0 389.544 3.675 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@@H]2CCc3ccccc3C2)c2ccccc2F)no1 ZINC000124566174 886766191 /nfs/dbraw/zinc/76/61/91/886766191.db2.gz IXHNKPNIVJQOLR-XLIONFOSSA-N 0 0 394.450 3.805 10 0 GHAERN Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000042628283 886796628 /nfs/dbraw/zinc/79/66/28/886796628.db2.gz OVLZMUKOXVGSJA-IBGZPJMESA-N 0 0 385.552 3.745 10 0 GHAERN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628232 886796833 /nfs/dbraw/zinc/79/68/33/886796833.db2.gz NYLPTTCCILZWIR-KRWDZBQOSA-N 0 0 389.515 3.576 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000126286157 886953101 /nfs/dbraw/zinc/95/31/01/886953101.db2.gz UJHBQGGCYOXNMQ-QFIPXVFZSA-N 0 0 397.563 3.832 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OC(F)F ZINC000126455380 886969905 /nfs/dbraw/zinc/96/99/05/886969905.db2.gz IEKKSDHWFASCFO-CQPIPWFBSA-N 0 0 391.418 3.616 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCO2)o1 ZINC000127319154 887051654 /nfs/dbraw/zinc/05/16/54/887051654.db2.gz XOKFAKCDOKXUHJ-SFHVURJKSA-N 0 0 399.422 3.700 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)CCO2)o1 ZINC000127352204 887055063 /nfs/dbraw/zinc/05/50/63/887055063.db2.gz RRMKCPZMVBWHKG-QFIPXVFZSA-N 0 0 390.439 3.799 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000047174882 887277823 /nfs/dbraw/zinc/27/78/23/887277823.db2.gz ZNLFRFNAPKHDKV-MRXNPFEDSA-N 0 0 383.498 3.575 10 0 GHAERN COc1ccccc1[C@H](NC(=O)c1cc(OC)c(OC)cc1F)c1ccccn1 ZINC000129319238 887285244 /nfs/dbraw/zinc/28/52/44/887285244.db2.gz ZLCNNWIBAFLFJU-NRFANRHFSA-N 0 0 396.418 3.766 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)c1ccccc1CSc1nc[nH]n1 ZINC000129443065 887300159 /nfs/dbraw/zinc/30/01/59/887300159.db2.gz ALRBYFXOSQSICB-UHFFFAOYSA-N 0 0 399.545 3.557 10 0 GHAERN Cc1nnnn1-c1cc(NC(=O)N[C@H](c2ccco2)c2ccccc2)ccc1F ZINC000105035458 887308317 /nfs/dbraw/zinc/30/83/17/887308317.db2.gz ZOIAYESDKJSLOP-IBGZPJMESA-N 0 0 392.394 3.614 10 0 GHAERN CCOc1cc(C)ccc1NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000047764439 887363824 /nfs/dbraw/zinc/36/38/24/887363824.db2.gz CDYYLBPIHUDESR-INIZCTEOSA-N 0 0 379.464 3.848 10 0 GHAERN C[C@@H](C[C@H](O)c1cccs1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000130552810 887446809 /nfs/dbraw/zinc/44/68/09/887446809.db2.gz MCOOKHGDLSIWHN-ZFWWWQNUSA-N 0 0 379.551 3.590 10 0 GHAERN COc1ccc(NC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1F ZINC000048447612 887455080 /nfs/dbraw/zinc/45/50/80/887455080.db2.gz DVXXCUDUUUZZRC-UHFFFAOYSA-N 0 0 377.460 3.527 10 0 GHAERN COc1ccc([C@H](NC(=O)/C=C/SCc2ccco2)c2nccn2C)cc1 ZINC000131918930 887590246 /nfs/dbraw/zinc/59/02/46/887590246.db2.gz QJSNKFZWUZESDB-CWIMXHLESA-N 0 0 383.473 3.674 10 0 GHAERN CC(=O)Nc1cc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc(C(F)(F)F)c1 ZINC000133485754 887770285 /nfs/dbraw/zinc/77/02/85/887770285.db2.gz CMINJUIBONSVBE-QGZVFWFLSA-N 0 0 396.365 3.779 10 0 GHAERN CCCCCNC(=O)C1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000051801200 887790304 /nfs/dbraw/zinc/79/03/04/887790304.db2.gz JHTZCRABODBRDW-UHFFFAOYSA-N 0 0 388.487 3.703 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3c(C)onc3-c3ccccn3)C2)c1 ZINC000133824208 887805574 /nfs/dbraw/zinc/80/55/74/887805574.db2.gz OAQWSWXDBIDJKV-HNNXBMFYSA-N 0 0 393.443 3.692 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4c(cccc4OC(F)F)[nH]3)CCO2)o1 ZINC000133913113 887815661 /nfs/dbraw/zinc/81/56/61/887815661.db2.gz ZUHVALNLXICIKS-QGZVFWFLSA-N 0 0 376.359 3.884 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)CCO2)o1 ZINC000134182928 887839959 /nfs/dbraw/zinc/83/99/59/887839959.db2.gz RQCNLGWUAYIOAR-SFHVURJKSA-N 0 0 398.438 3.645 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000134284802 887848060 /nfs/dbraw/zinc/84/80/60/887848060.db2.gz GEQXHGWDLOPASI-WIYYLYMNSA-N 0 0 383.536 3.622 10 0 GHAERN CCCCCOc1ccc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134291519 887848537 /nfs/dbraw/zinc/84/85/37/887848537.db2.gz HYRDRETZSHZPHE-ICSRJNTNSA-N 0 0 385.508 3.575 10 0 GHAERN CCCc1sc(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1CC ZINC000134311141 887859450 /nfs/dbraw/zinc/85/94/50/887859450.db2.gz YDBMTBRFCYYPLF-CRAIPNDOSA-N 0 0 375.538 3.582 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC000134358956 887863703 /nfs/dbraw/zinc/86/37/03/887863703.db2.gz CUDWLZRXZKTTHF-MKQGEQSTSA-N 0 0 375.557 3.935 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000134366366 887864143 /nfs/dbraw/zinc/86/41/43/887864143.db2.gz YZWFHIGXOSAUBZ-ZMGYJZIHSA-N 0 0 385.552 3.689 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N2CCn3cccc3[C@@H]2c2ccccc2)n1 ZINC000105216075 887890234 /nfs/dbraw/zinc/89/02/34/887890234.db2.gz WWAOJWUGNNXMRT-FQEVSTJZSA-N 0 0 393.491 3.742 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nccc(C(F)(F)F)n2)cc1 ZINC000053745210 888246093 /nfs/dbraw/zinc/24/60/93/888246093.db2.gz AGTBRFDATZUBNL-AWEZNQCLSA-N 0 0 397.422 3.960 10 0 GHAERN O=C(/C=C/c1cccc2ccccc12)N1CCC(C(=O)Nc2nncs2)CC1 ZINC000054207720 888268581 /nfs/dbraw/zinc/26/85/81/888268581.db2.gz AQCOOLCTXGJWOJ-CMDGGOBGSA-N 0 0 392.484 3.582 10 0 GHAERN Cc1ccc(C(=O)N2CCC(n3cncn3)CC2)c(Sc2ccccc2)n1 ZINC000136418305 888294213 /nfs/dbraw/zinc/29/42/13/888294213.db2.gz RWWUEIMOMQOWBQ-UHFFFAOYSA-N 0 0 379.489 3.610 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccccc2F)CC1 ZINC000137355181 888348181 /nfs/dbraw/zinc/34/81/81/888348181.db2.gz JPFVNZZLJSSPGF-ZDUSSCGKSA-N 0 0 393.384 3.988 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3nnc4n3CCCCC4)on2)cc1 ZINC000056458446 888362412 /nfs/dbraw/zinc/36/24/12/888362412.db2.gz SAWGAPYJEIFTHT-GOSISDBHSA-N 0 0 391.475 3.945 10 0 GHAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000193643784 888514192 /nfs/dbraw/zinc/51/41/92/888514192.db2.gz ZSJXKEMXCUSIHW-OLZOCXBDSA-N 0 0 398.406 3.581 10 0 GHAERN C[C@H](O)CNC(=O)c1ccc(OCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000194469625 888590592 /nfs/dbraw/zinc/59/05/92/888590592.db2.gz UGQSBLZBHADQIZ-ZDUSSCGKSA-N 0 0 386.835 3.685 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC(C(C)C)C(C)C)c2ccc(F)cc2C1 ZINC000194885432 888628854 /nfs/dbraw/zinc/62/88/54/888628854.db2.gz VNKXYZNJKZUAEE-FQEVSTJZSA-N 0 0 377.504 3.846 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@H](c3cccs3)C(C)(C)C)c2)no1 ZINC000195064137 888642564 /nfs/dbraw/zinc/64/25/64/888642564.db2.gz OZAOKDDDODHTDS-MRXNPFEDSA-N 0 0 398.488 3.949 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccccc1F ZINC000195479134 888668660 /nfs/dbraw/zinc/66/86/60/888668660.db2.gz RVOWCGQFGRHJPC-INIZCTEOSA-N 0 0 395.482 3.735 10 0 GHAERN COc1ccccc1-n1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)c1C ZINC000195249970 888673841 /nfs/dbraw/zinc/67/38/41/888673841.db2.gz AKGCOTAXNUBSHW-UHFFFAOYSA-N 0 0 390.487 3.679 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000195347717 888683691 /nfs/dbraw/zinc/68/36/91/888683691.db2.gz IKGODUOMKFLIJZ-OLZOCXBDSA-N 0 0 381.448 3.951 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(-c2nc(C3CC3)no2)c1 ZINC000245436312 888752346 /nfs/dbraw/zinc/75/23/46/888752346.db2.gz VAQBWLRGOSGBAY-IAOVAPTHSA-N 0 0 382.464 3.857 10 0 GHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000245469871 888767282 /nfs/dbraw/zinc/76/72/82/888767282.db2.gz MHNWLTONTRUQEE-JENIJYKNSA-N 0 0 377.492 3.811 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000245562222 888954187 /nfs/dbraw/zinc/95/41/87/888954187.db2.gz OQIYLCRDYIMGKJ-LIRRHRJNSA-N 0 0 383.496 3.621 10 0 GHAERN COc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000198476767 889970343 /nfs/dbraw/zinc/97/03/43/889970343.db2.gz LXYLDYSRAKRMPE-UHFFFAOYSA-N 0 0 384.407 3.747 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245902124 889978687 /nfs/dbraw/zinc/97/86/87/889978687.db2.gz BFYQNYBGCIITTR-ARFHVFGLSA-N 0 0 378.538 3.875 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1)NC(=O)C1CCCCC1 ZINC000246186437 890617578 /nfs/dbraw/zinc/61/75/78/890617578.db2.gz HUFIIYAXEFLSPD-BPQIPLTHSA-N 0 0 392.565 3.638 10 0 GHAERN COc1ccc(Br)c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000246187377 890621927 /nfs/dbraw/zinc/62/19/27/890621927.db2.gz SWSSPQVEHLADFK-KCPJHIHWSA-N 0 0 381.270 3.537 10 0 GHAERN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246376389 891085338 /nfs/dbraw/zinc/08/53/38/891085338.db2.gz AQWVPMGNNSKYBA-XGWLTEMNSA-N 0 0 377.510 3.582 10 0 GHAERN Cn1c(=S)[nH]nc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000068428561 891178810 /nfs/dbraw/zinc/17/88/10/891178810.db2.gz ZDXVXGCLDHZIGF-KGLIPLIRSA-N 0 0 376.913 3.641 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)C2)cc1 ZINC000246850484 891314859 /nfs/dbraw/zinc/31/48/59/891314859.db2.gz CJGPWXRLACGHFU-QMTMVMCOSA-N 0 0 384.524 3.564 10 0 GHAERN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246970652 891327654 /nfs/dbraw/zinc/32/76/54/891327654.db2.gz NRDLYKBUVKMLBQ-XJKCOSOUSA-N 0 0 381.423 3.889 10 0 GHAERN C[C@H]1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1n1ccnc1 ZINC000247447781 891377522 /nfs/dbraw/zinc/37/75/22/891377522.db2.gz YOMSQGHMRZFMRJ-QFBILLFUSA-N 0 0 395.532 3.604 10 0 GHAERN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@H]1CCCN(c2ncccn2)C1 ZINC000247737012 891395136 /nfs/dbraw/zinc/39/51/36/891395136.db2.gz LORXDFTWIRGLAC-INIZCTEOSA-N 0 0 398.470 3.875 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777124 891396191 /nfs/dbraw/zinc/39/61/91/891396191.db2.gz WZBMDYBIDMGRMS-ZWKOTPCHSA-N 0 0 391.537 3.977 10 0 GHAERN CC[C@H](C)[C@@H](C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1 ZINC000248049154 891407469 /nfs/dbraw/zinc/40/74/69/891407469.db2.gz NMUJXEFGXFHGDS-JXHRLWIKSA-N 0 0 378.516 3.981 10 0 GHAERN COc1ccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(OC)c1 ZINC000248144900 891412896 /nfs/dbraw/zinc/41/28/96/891412896.db2.gz RTDZMPVNFNQJDF-UHFFFAOYSA-N 0 0 384.407 3.747 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000248244132 891417903 /nfs/dbraw/zinc/41/79/03/891417903.db2.gz KWPDAPDBNJHYLQ-NRFANRHFSA-N 0 0 378.472 3.795 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c2ccc(F)cc2C1 ZINC000248723589 891461206 /nfs/dbraw/zinc/46/12/06/891461206.db2.gz MMLIYENBLTVRNM-LHHVKLHASA-N 0 0 375.488 3.743 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000248858744 891475787 /nfs/dbraw/zinc/47/57/87/891475787.db2.gz PNKUKIMWSARPFS-VAMGGRTRSA-N 0 0 392.927 3.753 10 0 GHAERN COc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1O ZINC000102471834 898011410 /nfs/dbraw/zinc/01/14/10/898011410.db2.gz OUKKDLILRACRHS-CQSZACIVSA-N 0 0 397.406 3.610 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000104266534 898134207 /nfs/dbraw/zinc/13/42/07/898134207.db2.gz RPFGNUYBICFJNV-KBXCAEBGSA-N 0 0 389.459 3.812 10 0 GHAERN O=C(CN1CCCC[C@H]1c1nc[nH]n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000121742454 901668876 /nfs/dbraw/zinc/66/88/76/901668876.db2.gz OXMMQDDFRDKYAC-ZDUSSCGKSA-N 0 0 387.793 3.643 10 0 GHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCO[C@]2(CCCOC2)C1 ZINC000333505344 902141881 /nfs/dbraw/zinc/14/18/81/902141881.db2.gz KZDDRKUBWXCRQA-URKNILKWSA-N 0 0 399.318 3.688 10 0 GHAERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2nc3c(s2)CCCCCC3)C1 ZINC000333561764 902190935 /nfs/dbraw/zinc/19/09/35/902190935.db2.gz RQPUJJPHQYLBPR-CQSZACIVSA-N 0 0 378.542 3.571 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@H]3c3cccc(Cl)c3)O2)n1 ZINC000333725101 902294709 /nfs/dbraw/zinc/29/47/09/902294709.db2.gz OPAISOGGRFXPHY-IKGGRYGDSA-N 0 0 390.871 3.798 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000282789805 904320816 /nfs/dbraw/zinc/32/08/16/904320816.db2.gz YTTUWPJHZJYAIC-TXVWBRJLSA-N 0 0 390.499 3.771 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)Nc2ccnn2C2CCCC2)cc1 ZINC000105653682 905139315 /nfs/dbraw/zinc/13/93/15/905139315.db2.gz SGILSSAOQPRXOC-UHFFFAOYSA-N 0 0 382.493 3.618 10 0 GHAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174998652 905413586 /nfs/dbraw/zinc/41/35/86/905413586.db2.gz SBOKJPPPKHTQQQ-UHFFFAOYSA-N 0 0 396.422 3.869 10 0 GHAERN C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176074316 905746960 /nfs/dbraw/zinc/74/69/60/905746960.db2.gz LVOIKMCYGVSGSB-ZIAGYGMSSA-N 0 0 390.480 3.619 10 0 GHAERN O=C(N[C@H]1CCCn2ncnc21)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000177312772 906099501 /nfs/dbraw/zinc/09/95/01/906099501.db2.gz IHCRHRIGFISLDQ-GJZGRUSLSA-N 0 0 380.279 3.967 10 0 GHAERN Cc1nc2ccc(NC(=O)N3CCCC[C@H]3c3nnc4n3CCCC4)cc2o1 ZINC000181546186 907024215 /nfs/dbraw/zinc/02/42/15/907024215.db2.gz QVHWXPAMMSYMSU-INIZCTEOSA-N 0 0 380.452 3.823 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccc1OCC(F)(F)F ZINC000183082429 907325171 /nfs/dbraw/zinc/32/51/71/907325171.db2.gz DWZJZKHLHDYCEB-CYBMUJFWSA-N 0 0 383.374 3.813 10 0 GHAERN CCCN(C(=O)c1ccccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1)C(C)C ZINC000183293452 907363426 /nfs/dbraw/zinc/36/34/26/907363426.db2.gz IMWBGZIFAXXJIZ-SFHVURJKSA-N 0 0 398.511 3.824 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183345775 907371029 /nfs/dbraw/zinc/37/10/29/907371029.db2.gz QHPKMZVBZLKAJH-RMVXJAJNSA-N 0 0 391.519 3.579 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183923258 907478504 /nfs/dbraw/zinc/47/85/04/907478504.db2.gz CBOJHQYJXMFTGW-YOKBYHGQSA-N 0 0 382.501 3.510 10 0 GHAERN COc1ccc(CCCNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000186440327 907926841 /nfs/dbraw/zinc/92/68/41/907926841.db2.gz SZKHNDFRSUGJDU-KRWDZBQOSA-N 0 0 389.521 3.948 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCCC(=O)N2Cc3ccccc3C2)cs1 ZINC000187080806 908034017 /nfs/dbraw/zinc/03/40/17/908034017.db2.gz LHDSRCWITMTOBJ-IBGZPJMESA-N 0 0 398.532 3.621 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2nc3c(s2)CCCC3)cs1 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HHZSEZOGONYUJL-INIZCTEOSA-N 0 0 375.519 3.617 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(-c3nccs3)cc2)cs1 ZINC000189460869 908326995 /nfs/dbraw/zinc/32/69/95/908326995.db2.gz ZXXHCVLRQYASFO-INIZCTEOSA-N 0 0 398.513 3.877 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000190025296 908406982 /nfs/dbraw/zinc/40/69/82/908406982.db2.gz QGNGRLQSSNYYSR-AEFFLSMTSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000190031515 908408468 /nfs/dbraw/zinc/40/84/68/908408468.db2.gz UTKHHXHMCIAFGE-KFNAQCHYSA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000190050849 908412755 /nfs/dbraw/zinc/41/27/55/908412755.db2.gz AGKXCEVJCSBCCP-MOPGFXCFSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 ZINC000190113987 908429657 /nfs/dbraw/zinc/42/96/57/908429657.db2.gz ISNZJNKDZUSYBA-WBVHZDCISA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 ZINC000190127318 908432817 /nfs/dbraw/zinc/43/28/17/908432817.db2.gz GOIIAYBDOVVRSE-MJGOQNOKSA-N 0 0 397.479 3.983 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(Cl)c2OC(C)C)C1 ZINC000190130517 908433888 /nfs/dbraw/zinc/43/38/88/908433888.db2.gz PDTKOHMQORGZJM-DOMZBBRYSA-N 0 0 394.859 3.813 10 0 GHAERN COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000191780322 908671428 /nfs/dbraw/zinc/67/14/28/908671428.db2.gz XZDFVJBJLUTLCE-WFASDCNBSA-N 0 0 393.875 3.631 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc(C)c1Br ZINC000192419146 908784426 /nfs/dbraw/zinc/78/44/26/908784426.db2.gz OAKUVSGAUZAHPF-CYBMUJFWSA-N 0 0 378.274 3.943 10 0 GHAERN Cc1ccn(C(=O)C2CCN(C(=O)c3ccoc3)CC2)/c(=N/C2CCCCC2)c1 ZINC000363141590 917829431 /nfs/dbraw/zinc/82/94/31/917829431.db2.gz YDBGIYKFNZAYIU-DARPEHSRSA-N 0 0 395.503 3.816 10 0 GHAERN CC1(C)C=Cc2c(ccc3c2O[C@@H]2COc4cc5c(cc4[C@@H]2C3=O)OCO5)O1 ZINC000004098739 206260142 /nfs/dbraw/zinc/26/01/42/206260142.db2.gz TXNSUHKZCOMFPN-MOPGFXCFSA-N 0 0 378.380 3.719 10 0 in-vitro GHAERN NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O ZINC000027306749 206303490 /nfs/dbraw/zinc/30/34/90/206303490.db2.gz CLRFYTGANQZOBS-UHFFFAOYSA-N 0 0 391.814 3.511 10 0 GHAERN CC1(C)Cc2ccccc2-c2nnc(SCC(=O)NCc3cccs3)n21 ZINC000001368699 206375313 /nfs/dbraw/zinc/37/53/13/206375313.db2.gz NVAVUIJHGPJEGE-UHFFFAOYSA-N 0 0 384.530 3.706 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccc(C)cc1 ZINC000015920764 207067672 /nfs/dbraw/zinc/06/76/72/207067672.db2.gz NRWNMVQKOXJFLA-JOCHJYFZSA-N 0 0 391.471 3.975 10 0 GHAERN Cc1ccsc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779243 207060770 /nfs/dbraw/zinc/06/07/70/207060770.db2.gz HUMJMLGTLWEMGZ-UHFFFAOYSA-N 0 0 394.500 3.920 10 0 GHAERN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000019335720 207116975 /nfs/dbraw/zinc/11/69/75/207116975.db2.gz NIDUOVHCZYCISV-CYBMUJFWSA-N 0 0 387.436 3.722 10 0 GHAERN CCC(CC)C(=O)N(CCOC)Cc1cc2ccc(F)cc2nc1N(C)C ZINC000019740601 207156661 /nfs/dbraw/zinc/15/66/61/207156661.db2.gz UHEDFIJIXMRZGF-UHFFFAOYSA-N 0 0 375.488 3.851 10 0 GHAERN Cc1ccc(N[C@H](C)c2ccc(Br)s2)cc1S(N)(=O)=O ZINC000038001923 207251143 /nfs/dbraw/zinc/25/11/43/207251143.db2.gz CHKREGWLERWHJT-SECBINFHSA-N 0 0 375.313 3.640 10 0 GHAERN CC(=O)O[C@H](C(=O)N1CCC(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022624891 207258724 /nfs/dbraw/zinc/25/87/24/207258724.db2.gz RTVKGPGGBTUBBS-QFIPXVFZSA-N 0 0 395.455 3.501 10 0 GHAERN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)N(C)C ZINC000035809319 207502282 /nfs/dbraw/zinc/50/22/82/207502282.db2.gz COJCQKVHVWZXSS-UHFFFAOYSA-N 0 0 385.508 3.553 10 0 GHAERN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@@H]1C[C@@H]1c1cccnc1 ZINC000078714589 207555933 /nfs/dbraw/zinc/55/59/33/207555933.db2.gz NDKQSRBTWJVQTE-HUUCEWRRSA-N 0 0 379.441 3.719 10 0 GHAERN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)NC[C@@H]1CCCO1 ZINC000065061155 207832670 /nfs/dbraw/zinc/83/26/70/207832670.db2.gz CJLQMSLCTNGHGR-KRWDZBQOSA-N 0 0 383.879 3.883 10 0 GHAERN CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1I ZINC000091691807 208132935 /nfs/dbraw/zinc/13/29/35/208132935.db2.gz LPCMEKLFEJTQAE-UHFFFAOYSA-N 0 0 376.581 3.511 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]([S@@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084890 208153173 /nfs/dbraw/zinc/15/31/73/208153173.db2.gz GBTCCZTXRGQMFI-QDXKXIGTSA-N 0 0 395.912 3.790 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1C[S@@](=O)Cc1cnc(Cl)s1 ZINC000095086869 208155320 /nfs/dbraw/zinc/15/53/20/208155320.db2.gz TUYDEJQYKNTPRS-RULNZOCKSA-N 0 0 378.947 3.835 10 0 GHAERN COC(=O)c1cc(OC)c2c(c1)c(OC)c(Br)c(C)c2OC(C)=O ZINC000095937667 208240584 /nfs/dbraw/zinc/24/05/84/208240584.db2.gz GRGWLNSJHBBYGR-UHFFFAOYSA-N 0 0 397.221 3.640 10 0 GHAERN CC(C)c1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000016092609 221357318 /nfs/dbraw/zinc/35/73/18/221357318.db2.gz ANQHANJXMPRBRK-UHFFFAOYSA-N 0 0 378.925 3.974 10 0 GHAERN Cc1ccccc1NC(=O)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062569 136159058 /nfs/dbraw/zinc/15/90/58/136159058.db2.gz AGAVOXPJIQJRSP-UHFFFAOYSA-N 0 0 380.473 3.602 10 0 GHAERN Cc1ccc(F)c(NC(=O)[C@@H]2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c1 ZINC000065227224 136160455 /nfs/dbraw/zinc/16/04/55/136160455.db2.gz QBXRADXZKBTTPZ-MRXNPFEDSA-N 0 0 393.466 3.944 10 0 GHAERN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)n2Cc2ccccc2)cc1 ZINC000299754755 209081968 /nfs/dbraw/zinc/08/19/68/209081968.db2.gz OMSUZAJXALTKDO-UHFFFAOYSA-N 0 0 383.473 3.604 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000095091775 535571656 /nfs/dbraw/zinc/57/16/56/535571656.db2.gz HVSBTHGKENSRIS-UHFFFAOYSA-N 0 0 386.496 3.770 10 0 GHAERN O=c1c2ccccc2n2c(-c3ccc(O)cc3)nnc2n1Cc1ccc(F)cc1 ZINC000006781195 570284107 /nfs/dbraw/zinc/28/41/07/570284107.db2.gz KSBKRJIAVLQCKM-UHFFFAOYSA-N 0 0 386.386 3.604 10 0 GHAERN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(=O)C2CC2)C2CC2)o1 ZINC000000741020 570312237 /nfs/dbraw/zinc/31/22/37/570312237.db2.gz RJZRBTTVBQSDCC-UHFFFAOYSA-N 0 0 384.451 3.657 10 0 GHAERN Cc1cc([C@@H]2C[C@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715000 570318807 /nfs/dbraw/zinc/31/88/07/570318807.db2.gz HZQSMVLYRUFFCP-MOPGFXCFSA-N 0 0 380.463 3.659 10 0 GHAERN O=C(/C=C/c1ccccc1)N1CCC2(CC1)SCC(=O)N2Cc1ccccc1 ZINC000034924371 570345649 /nfs/dbraw/zinc/34/56/49/570345649.db2.gz LRTGZNBZGHBBGY-VAWYXSNFSA-N 0 0 392.524 3.794 10 0 GHAERN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@@H](c3ccco3)C2)cc1C ZINC000035961255 570488910 /nfs/dbraw/zinc/48/89/10/570488910.db2.gz KPMASLQACCGARI-LJQANCHMSA-N 0 0 381.476 3.689 10 0 GHAERN COc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C[C@@H]2CCCO2)cc1OC ZINC000036156201 570553456 /nfs/dbraw/zinc/55/34/56/570553456.db2.gz CAUZHYYMDVQTCY-KRWDZBQOSA-N 0 0 389.492 3.705 10 0 GHAERN CCN(C)C(=O)[C@@H]1CN(C(=O)CC(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000036042318 570559671 /nfs/dbraw/zinc/55/96/71/570559671.db2.gz VNHUWEWBAMGRHP-IAGOWNOFSA-N 0 0 384.442 3.772 10 0 GHAERN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)Nc1ccc(F)c(F)c1 ZINC000006808731 570610680 /nfs/dbraw/zinc/61/06/80/570610680.db2.gz WYUFSYOPMJZJAT-UHFFFAOYSA-N 0 0 383.398 3.505 10 0 GHAERN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccc3c(c1)OCO3)CC2 ZINC000065148910 570710644 /nfs/dbraw/zinc/71/06/44/570710644.db2.gz CZGDTUYEXUEEPS-UHFFFAOYSA-N 0 0 393.443 3.607 10 0 GHAERN CCOCc1ccccc1CNC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104245870 837390555 /nfs/dbraw/zinc/39/05/55/837390555.db2.gz OCFGMTFLKKPDCX-HXUWFJFHSA-N 0 0 381.476 3.536 10 0 GHAERN CN1C(=O)CCc2cc(NC(=O)N3CCO[C@H](c4ccc(Cl)cc4)C3)ccc21 ZINC000105050622 837511880 /nfs/dbraw/zinc/51/18/80/837511880.db2.gz OMSYOMFRWSARCQ-IBGZPJMESA-N 0 0 399.878 3.854 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)Nc1ccc3c(c1)CC(=O)N3C)O[C@@H](C)C2 ZINC000588610894 834728607 /nfs/dbraw/zinc/72/86/07/834728607.db2.gz DPMHKEVELHCBJY-PODYEWJSSA-N 0 0 392.455 3.580 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)no1 ZINC000329353825 834893956 /nfs/dbraw/zinc/89/39/56/834893956.db2.gz GFCLPAWZEZHPBS-RHSMWYFYSA-N 0 0 388.899 3.831 10 0 GHAERN COc1ccccc1C/C(C)=C/C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157749672 835072866 /nfs/dbraw/zinc/07/28/66/835072866.db2.gz GPEBVFYLOUPCJZ-OBGWFSINSA-N 0 0 379.504 3.673 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc(Br)ccc3F)CC2)nc1 ZINC000157767180 835083340 /nfs/dbraw/zinc/08/33/40/835083340.db2.gz KMYREZJZOQCQHH-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN Cc1cc(OC(F)F)c(C(=O)NC2CCN(c3ccc(C)cn3)CC2)s1 ZINC000157813804 835107967 /nfs/dbraw/zinc/10/79/67/835107967.db2.gz FLKGVJNPZBGBKR-UHFFFAOYSA-N 0 0 381.448 3.760 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H](C)OC[C@H]3CCCCO3)C2)n1 ZINC000246896211 835126270 /nfs/dbraw/zinc/12/62/70/835126270.db2.gz XLIXYHWPJBGGCF-YESZJQIVSA-N 0 0 380.554 3.947 10 0 GHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCc1nnc(-c2ccccc2)s1 ZINC000158212995 835275617 /nfs/dbraw/zinc/27/56/17/835275617.db2.gz JPPJMOYCQAWLAN-DHZHZOJOSA-N 0 0 387.468 3.720 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 ZINC000159021235 835691675 /nfs/dbraw/zinc/69/16/75/835691675.db2.gz KNFNZWVNFWDSAF-UHFFFAOYSA-N 0 0 382.386 3.647 10 0 GHAERN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000187804777 835696907 /nfs/dbraw/zinc/69/69/07/835696907.db2.gz KOXMDVLLMGLDTJ-GUYCJALGSA-N 0 0 389.801 3.716 10 0 GHAERN CC(C)(c1nc([C@H]2CN3CCC[C@@H]3CO2)no1)c1ccc(Br)cc1 ZINC000329704504 835738142 /nfs/dbraw/zinc/73/81/42/835738142.db2.gz IVHALLQUFRUOJR-HUUCEWRRSA-N 0 0 392.297 3.694 10 0 GHAERN CCS[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000245972293 835772928 /nfs/dbraw/zinc/77/29/28/835772928.db2.gz ODAPNLNDFGNPDK-ZACQAIPSSA-N 0 0 391.585 3.915 10 0 GHAERN Brc1cccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000329739000 835821591 /nfs/dbraw/zinc/82/15/91/835821591.db2.gz UQQMIRQDEKPSGN-FXUDXRNXSA-N 0 0 390.281 3.639 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)C2)n1 ZINC000246994023 836067315 /nfs/dbraw/zinc/06/73/15/836067315.db2.gz SSFNLAUHKWSUDI-IKGGRYGDSA-N 0 0 384.501 3.732 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000275295071 836607327 /nfs/dbraw/zinc/60/73/27/836607327.db2.gz BEJQLAUUWHJPNP-HFTRVMKXSA-N 0 0 386.496 3.555 10 0 GHAERN CC(C)O[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000332796470 836641083 /nfs/dbraw/zinc/64/10/83/836641083.db2.gz TWTIDNFVPZDBMJ-OQIJWPOYSA-N 0 0 377.529 3.640 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N[C@H]1CCCOc3ccccc31)C2 ZINC000332806410 836653744 /nfs/dbraw/zinc/65/37/44/836653744.db2.gz CEZMKBKVXJUDOC-WBVHZDCISA-N 0 0 382.508 3.709 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C[C@@H]3Sc4ccccc4NC3=O)c21 ZINC000103129836 837270312 /nfs/dbraw/zinc/27/03/12/837270312.db2.gz NIYLGOJUHMBOTN-SFHVURJKSA-N 0 0 379.485 3.638 10 0 GHAERN Cc1nccn1CCCN(C)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000178754483 838230822 /nfs/dbraw/zinc/23/08/22/838230822.db2.gz RZBUIBOGJAERGW-UHFFFAOYSA-N 0 0 380.496 3.822 10 0 GHAERN C[C@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1c(F)cccc1F ZINC000179276271 838324081 /nfs/dbraw/zinc/32/40/81/838324081.db2.gz VAPGGUMZTRSANB-HNNXBMFYSA-N 0 0 378.463 3.710 10 0 GHAERN Cc1c(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(F)cc2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408065327 838708338 /nfs/dbraw/zinc/70/83/38/838708338.db2.gz YKSUFLQEUNJPBP-RDJZCZTQSA-N 0 0 384.451 3.565 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cnc(-c4ccsc4)s3)C2)n1 ZINC000116779303 839414681 /nfs/dbraw/zinc/41/46/81/839414681.db2.gz UJFIPIRUGLFDGB-AWEZNQCLSA-N 0 0 387.534 3.632 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(Cl)s3)C2)n1 ZINC000117032328 839539071 /nfs/dbraw/zinc/53/90/71/839539071.db2.gz FHZDTEDBPIAORZ-FZMZJTMJSA-N 0 0 381.933 3.793 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CCc2cc(Br)ccc21 ZINC000332742587 844528035 /nfs/dbraw/zinc/52/80/35/844528035.db2.gz WDPVGCAGRPOUMX-VQHPVUNQSA-N 0 0 391.309 3.693 10 0 GHAERN Cc1nc(S(=O)(=O)N2CCCC[C@H]2c2ccco2)sc1Br ZINC000408087633 840562455 /nfs/dbraw/zinc/56/24/55/840562455.db2.gz FHTSUGBVUWSMBQ-JTQLQIEISA-N 0 0 391.312 3.723 10 0 GHAERN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000588398557 840786724 /nfs/dbraw/zinc/78/67/24/840786724.db2.gz LJUOENGHQOEGKP-PEJLPUCESA-N 0 0 379.504 3.723 10 0 GHAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000408112599 840950143 /nfs/dbraw/zinc/95/01/43/840950143.db2.gz MIJAHVORUPRQEK-HOTGVXAUSA-N 0 0 389.462 3.542 10 0 GHAERN CN1CCCc2cc(NC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)ccc21 ZINC000145003608 844604190 /nfs/dbraw/zinc/60/41/90/844604190.db2.gz IPCVKRBGPRQMPE-QGZVFWFLSA-N 0 0 390.491 3.523 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)C2)nn1 ZINC000332871466 844616620 /nfs/dbraw/zinc/61/66/20/844616620.db2.gz CGHUBSMPWOHOCN-TZIWHRDSSA-N 0 0 397.498 3.734 10 0 GHAERN Cc1ccc(/C=C\Cc2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC000588407827 841223996 /nfs/dbraw/zinc/22/39/96/841223996.db2.gz GOYJHLNJBJQJLA-OSJSJHBBSA-N 0 0 385.464 3.942 10 0 GHAERN CCOc1cc(/C=C\C(=O)NCc2ccc(N3CCCCC3=O)cc2)ccc1O ZINC000588412414 841410329 /nfs/dbraw/zinc/41/03/29/841410329.db2.gz TUEJRYBEVJOWJY-LCYFTJDESA-N 0 0 394.471 3.637 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccnc(N3CCCC3)c2)C12CCCC2 ZINC000153232814 842321965 /nfs/dbraw/zinc/32/19/65/842321965.db2.gz QDCMDWLRUPWXTA-RBUKOAKNSA-N 0 0 386.540 3.561 10 0 GHAERN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408349122 842690075 /nfs/dbraw/zinc/69/00/75/842690075.db2.gz GVPDLFWYKJAUHU-VBKZILBWSA-N 0 0 377.554 3.572 10 0 GHAERN O=C(/C=C\c1ccncn1)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000588440015 842748737 /nfs/dbraw/zinc/74/87/37/842748737.db2.gz PLAGSPFARJXBEV-BYPUDFOVSA-N 0 0 378.259 3.867 10 0 GHAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408208856 842817300 /nfs/dbraw/zinc/81/73/00/842817300.db2.gz YAGORFRAEGDBIM-IAAVTCLWSA-N 0 0 376.545 3.733 10 0 GHAERN O=C(NCCCc1nnc2n1CCCCC2)N1CC=C(c2ccccc2F)CC1 ZINC000163029053 842946244 /nfs/dbraw/zinc/94/62/44/842946244.db2.gz BROXJBSHRRMCSY-UHFFFAOYSA-N 0 0 397.498 3.575 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000163553103 843010859 /nfs/dbraw/zinc/01/08/59/843010859.db2.gz LUBFFRQKPWLTGP-HRCADAONSA-N 0 0 393.553 3.933 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](c1cccs1)C(C)(C)C)CC2 ZINC000162129516 843206602 /nfs/dbraw/zinc/20/66/02/843206602.db2.gz LHVQIMMHHHMYTR-ZACQAIPSSA-N 0 0 380.554 3.797 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000162442823 843261312 /nfs/dbraw/zinc/26/13/12/843261312.db2.gz YRTXXJZLMBGNMM-UHFFFAOYSA-N 0 0 384.867 3.823 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(I)cc1C ZINC000588451610 843292620 /nfs/dbraw/zinc/29/26/20/843292620.db2.gz CIYKCWHHSMDEHV-FPLPWBNLSA-N 0 0 378.213 3.955 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000588452119 843308190 /nfs/dbraw/zinc/30/81/90/843308190.db2.gz XNKMFFRQYUDOID-KTKRTIGZSA-N 0 0 399.497 3.569 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000588452930 843317915 /nfs/dbraw/zinc/31/79/15/843317915.db2.gz KXWNTHLAGYEQMC-MTVZPNFRSA-N 0 0 385.467 3.769 10 0 GHAERN COc1ccc(/C=C\C(=O)NCc2nc3ccccc3n2C2CC2)cc1OC ZINC000588455038 843351921 /nfs/dbraw/zinc/35/19/21/843351921.db2.gz HXQYBVZDODCMLB-WQLSENKSSA-N 0 0 377.444 3.718 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112307055 843352075 /nfs/dbraw/zinc/35/20/75/843352075.db2.gz VXUAFLLZSGNYNX-UHFFFAOYSA-N 0 0 398.528 3.648 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112307634 843352160 /nfs/dbraw/zinc/35/21/60/843352160.db2.gz RHYVCAIXICWMJZ-DHZHZOJOSA-N 0 0 384.501 3.535 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307597 843352383 /nfs/dbraw/zinc/35/23/83/843352383.db2.gz ZWTHTBHACABASQ-AWEZNQCLSA-N 0 0 392.908 3.544 10 0 GHAERN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330303356 843613510 /nfs/dbraw/zinc/61/35/10/843613510.db2.gz JWWDGXKQMOYMST-WMLDXEAASA-N 0 0 392.425 3.846 10 0 GHAERN O=C(NC1CCC(c2ccccc2)CC1)N1CCC(Nc2cccnn2)CC1 ZINC000153408633 844008472 /nfs/dbraw/zinc/00/84/72/844008472.db2.gz DPIUEDYWPYXYQS-UHFFFAOYSA-N 0 0 379.508 3.789 10 0 GHAERN CCCN(C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1)[C@H]1CCc2ccccc21 ZINC000332908360 844643393 /nfs/dbraw/zinc/64/33/93/844643393.db2.gz YYNBESGNNQJQKY-FPOVZHCZSA-N 0 0 393.535 3.863 10 0 GHAERN C[C@@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)c1ccccc1Br ZINC000332962941 844929312 /nfs/dbraw/zinc/92/93/12/844929312.db2.gz UOQWJRWRMCCGOJ-LRVUVFPRSA-N 0 0 393.325 3.711 10 0 GHAERN CC[C@](C)(NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc(C)cs1 ZINC000150735225 844986213 /nfs/dbraw/zinc/98/62/13/844986213.db2.gz VWZRPGLAPFXRRJ-KDOFPFPSSA-N 0 0 375.519 3.696 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000151671265 845461003 /nfs/dbraw/zinc/46/10/03/845461003.db2.gz BGNYKBNVIKLJSA-DLBZAZTESA-N 0 0 395.425 3.501 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000026297756 845522728 /nfs/dbraw/zinc/52/27/28/845522728.db2.gz KXCKDLORLDDJAD-UHFFFAOYSA-N 0 0 397.441 3.665 10 0 GHAERN O=C(Oc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151761432 845666591 /nfs/dbraw/zinc/66/65/91/845666591.db2.gz QCVBIZAYBDHEON-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cc1 ZINC000151889904 845954734 /nfs/dbraw/zinc/95/47/34/845954734.db2.gz LGZYEFCVIZLFJC-GXTWGEPZSA-N 0 0 382.386 3.864 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000333531589 846229602 /nfs/dbraw/zinc/22/96/02/846229602.db2.gz YDPFFNYURAZUHW-MJBXVCDLSA-N 0 0 380.476 3.852 10 0 GHAERN C[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)C1 ZINC000333598701 846333824 /nfs/dbraw/zinc/33/38/24/846333824.db2.gz MEJPMATUYJDJKO-WQVCFCJDSA-N 0 0 389.496 3.739 10 0 GHAERN Cc1c(Br)scc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588507336 846446749 /nfs/dbraw/zinc/44/67/49/846446749.db2.gz ADCDXHXMNVXPNW-WAYWQWQTSA-N 0 0 389.315 3.630 10 0 GHAERN COC(=O)[C@@](C)(NC(=O)/C=C\c1ncccc1C)c1ccc(Cl)c(Cl)c1 ZINC000588511706 846834555 /nfs/dbraw/zinc/83/45/55/846834555.db2.gz OXOTZKYKMDCHQG-QWUACUGRSA-N 0 0 393.270 3.915 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c2ccccc21 ZINC000329618282 861783487 /nfs/dbraw/zinc/78/34/87/861783487.db2.gz LXPPMZPCMZYJKK-QFBILLFUSA-N 0 0 396.491 3.787 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1OC ZINC000167268239 861933104 /nfs/dbraw/zinc/93/31/04/861933104.db2.gz SQPAMXGOQWPOKQ-DOJUMQAQSA-N 0 0 382.460 3.793 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1Cl ZINC000153648892 848836891 /nfs/dbraw/zinc/83/68/91/848836891.db2.gz OZPYHOWTNAPZEN-GOSISDBHSA-N 0 0 394.855 3.872 10 0 GHAERN C[C@@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)c1cccc(N2CCCC2)c1 ZINC000153768903 848996886 /nfs/dbraw/zinc/99/68/86/848996886.db2.gz YIZLICUMAUPYLV-UZLBHIALSA-N 0 0 392.503 3.773 10 0 GHAERN COc1cccc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)c1OC(F)F ZINC000155002186 849429767 /nfs/dbraw/zinc/42/97/67/849429767.db2.gz OVQVGFLBOPKUKF-AUECHBEKSA-N 0 0 391.418 3.579 10 0 GHAERN Cc1ccc(Br)c(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000155239897 849484821 /nfs/dbraw/zinc/48/48/21/849484821.db2.gz JJXFDIJWIQWEEN-UHFFFAOYSA-N 0 0 388.309 3.860 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000155270701 849490460 /nfs/dbraw/zinc/49/04/60/849490460.db2.gz FZOPKZJEVMZSON-GOSISDBHSA-N 0 0 376.416 3.977 10 0 GHAERN C[C@H](O)C[C@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000155440698 849529674 /nfs/dbraw/zinc/52/96/74/849529674.db2.gz BHRALMYSDVYFAN-PKOBYXMFSA-N 0 0 399.510 3.966 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@H](c2ccccc2F)C1 ZINC000155571351 849567780 /nfs/dbraw/zinc/56/77/80/849567780.db2.gz TVODRZJTNMAVPX-SFHVURJKSA-N 0 0 389.496 3.639 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000156368438 849888161 /nfs/dbraw/zinc/88/81/61/849888161.db2.gz NYBNOBNJWJKIFA-UHFFFAOYSA-N 0 0 377.286 3.669 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000156458672 849921158 /nfs/dbraw/zinc/92/11/58/849921158.db2.gz AJXRDSFVEIKOSU-OAQYLSRUSA-N 0 0 391.515 3.764 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000329693067 862095353 /nfs/dbraw/zinc/09/53/53/862095353.db2.gz ARJNGINMZRMUOD-XWSJACJDSA-N 0 0 390.572 3.860 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)C(=O)N1CCCC[C@@H]1C ZINC000119700721 851365497 /nfs/dbraw/zinc/36/54/97/851365497.db2.gz QGFKMSBEIHUGAA-JENIJYKNSA-N 0 0 399.535 3.912 10 0 GHAERN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2cc(C)c(OC)c(C)c2)c(OC)c1 ZINC000101566230 851665872 /nfs/dbraw/zinc/66/58/72/851665872.db2.gz CWYAIQNGGIJRKI-MRXNPFEDSA-N 0 0 386.492 3.788 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000042724293 851797949 /nfs/dbraw/zinc/79/79/49/851797949.db2.gz XEMHAEAKUSFMAN-ZBFHGGJFSA-N 0 0 397.441 3.810 10 0 GHAERN COc1ccc(C(=O)CCC(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 ZINC000101880130 851967538 /nfs/dbraw/zinc/96/75/38/851967538.db2.gz PMVJCGZFAIBOAI-UHFFFAOYSA-N 0 0 390.443 3.959 10 0 GHAERN O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000171241896 852221692 /nfs/dbraw/zinc/22/16/92/852221692.db2.gz ZMJLHZGADSMFDX-ZJUUUORDSA-N 0 0 399.818 3.511 10 0 GHAERN O=C(Nc1nccs1)C1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000044453896 852397745 /nfs/dbraw/zinc/39/77/45/852397745.db2.gz NFIAVZSYUOMMTO-UHFFFAOYSA-N 0 0 384.288 3.941 10 0 GHAERN Cc1ccc(C(=O)N2CCC(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)CC2)cc1 ZINC000333703547 852691300 /nfs/dbraw/zinc/69/13/00/852691300.db2.gz FFKOUXYCHPBLCE-HGBASVHRSA-N 0 0 395.547 3.677 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCSC[C@H]1c1nccs1 ZINC000329950022 862448388 /nfs/dbraw/zinc/44/83/88/862448388.db2.gz HPKOXQZDAPYEPF-GXTWGEPZSA-N 0 0 391.543 3.912 10 0 GHAERN CC[C@@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCO1 ZINC000330066979 862548828 /nfs/dbraw/zinc/54/88/28/862548828.db2.gz FEANODRICARQGX-RTXPOLOASA-N 0 0 395.503 3.822 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)[nH]1 ZINC000328744637 854525144 /nfs/dbraw/zinc/52/51/44/854525144.db2.gz OXEHTWUEQJJUNI-JYJNAYRXSA-N 0 0 389.297 3.733 10 0 GHAERN O=S(=O)(c1cccc(N[C@H]2CCCCC23CCCC3)c1)N1CCC(O)CC1 ZINC000328900158 854601502 /nfs/dbraw/zinc/60/15/02/854601502.db2.gz ZMNGZZDNSQXVMO-FQEVSTJZSA-N 0 0 392.565 3.747 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@@H]4C3)cc2)c1 ZINC000328935036 854607922 /nfs/dbraw/zinc/60/79/22/854607922.db2.gz FLTPAZPJKWIBOM-RTWAWAEBSA-N 0 0 381.476 3.724 10 0 GHAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000157787895 854926816 /nfs/dbraw/zinc/92/68/16/854926816.db2.gz CIAFCPVFBOEOPY-XIKOKIGWSA-N 0 0 377.282 3.698 10 0 GHAERN Cc1nc(CC(C)C)sc1C(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000330162136 862625875 /nfs/dbraw/zinc/62/58/75/862625875.db2.gz AFDYGOOISVCZKS-OAHLLOKOSA-N 0 0 387.553 3.945 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000330175356 862635641 /nfs/dbraw/zinc/63/56/41/862635641.db2.gz JAHCAZSQYLKTHS-XLIONFOSSA-N 0 0 375.428 3.551 10 0 GHAERN O=[S@@](Cc1csc(-c2ccsc2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105667348 855130241 /nfs/dbraw/zinc/13/02/41/855130241.db2.gz DDGNBUIECSADPC-XMMPIXPASA-N 0 0 377.472 3.964 10 0 GHAERN O=[S@](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105700178 855133703 /nfs/dbraw/zinc/13/37/03/855133703.db2.gz BPUXUOGODJAKCC-MHZLTWQESA-N 0 0 391.355 3.712 10 0 GHAERN C[C@@H](NC(=O)N(C)C1CCC(C)(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000130513367 855309774 /nfs/dbraw/zinc/30/97/74/855309774.db2.gz ASJKUVIWLGNVFW-CYBMUJFWSA-N 0 0 384.517 3.900 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)C[C@H]1C ZINC000190429309 855463525 /nfs/dbraw/zinc/46/35/25/855463525.db2.gz SYWTXCIJZZNMKL-SRCQZFHVSA-N 0 0 396.434 3.506 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000190462635 855466740 /nfs/dbraw/zinc/46/67/40/855466740.db2.gz CJVNPIKTJOQPIX-TYNCELHUSA-N 0 0 387.307 3.765 10 0 GHAERN C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000022061719 856434916 /nfs/dbraw/zinc/43/49/16/856434916.db2.gz WKLORKLFLMTHHY-WEXCICBUSA-N 0 0 392.580 3.565 10 0 GHAERN O=C(Nc1cnc(-c2ccccc2)nc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000045842716 856773459 /nfs/dbraw/zinc/77/34/59/856773459.db2.gz PGEKKWSOJDHAOM-UHFFFAOYSA-N 0 0 392.484 3.696 10 0 GHAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218510 856971642 /nfs/dbraw/zinc/97/16/42/856971642.db2.gz LUFXBIJFTZCZHY-QUCCMNQESA-N 0 0 394.519 3.574 10 0 GHAERN O=C(NCc1ccnc(OC2CCCCC2)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000158355668 857070702 /nfs/dbraw/zinc/07/07/02/857070702.db2.gz DLDQCURDUCRJIF-UHFFFAOYSA-N 0 0 383.496 3.605 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000068360958 857376046 /nfs/dbraw/zinc/37/60/46/857376046.db2.gz IFMJCHQXTVHCHI-HNNXBMFYSA-N 0 0 392.908 3.575 10 0 GHAERN CC(C)c1nc(C(=O)N2[C@H](C)COC[C@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000131221301 857698918 /nfs/dbraw/zinc/69/89/18/857698918.db2.gz OXOYWOBKQSSGGK-VXGBXAGGSA-N 0 0 397.306 3.947 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C12CCCC2 ZINC000133719517 858816968 /nfs/dbraw/zinc/81/69/68/858816968.db2.gz WBYSHRCCMSVQDV-WOJBJXKFSA-N 0 0 385.508 3.797 10 0 GHAERN Brc1ccc(Cc2nc(CN3CCO[C@@H]4CCCC[C@H]43)no2)cc1 ZINC000247601909 859405189 /nfs/dbraw/zinc/40/51/89/859405189.db2.gz UUQLLWYUUJBLHU-HZPDHXFCSA-N 0 0 392.297 3.566 10 0 GHAERN CCOc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000105380992 859820867 /nfs/dbraw/zinc/82/08/67/859820867.db2.gz WFHJGLVOIMYPFX-PXNSSMCTSA-N 0 0 380.488 3.620 10 0 GHAERN COc1ccc(-c2noc(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000011240289 860064034 /nfs/dbraw/zinc/06/40/34/860064034.db2.gz UXZRVRRTTUBHGQ-UHFFFAOYSA-N 0 0 389.455 3.994 10 0 GHAERN Cc1csc([C@@H]2CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000171236222 860423816 /nfs/dbraw/zinc/42/38/16/860423816.db2.gz PXBTUBGCUYCRAW-CQSZACIVSA-N 0 0 384.461 3.610 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H](c3ccccc3)N3CCCCC3=O)C2)n1 ZINC000173070601 860435984 /nfs/dbraw/zinc/43/59/84/860435984.db2.gz CYJULYLSGBQJOX-ICSRJNTNSA-N 0 0 397.544 3.911 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000102902068 860619909 /nfs/dbraw/zinc/61/99/09/860619909.db2.gz LKWRANATOFIJPI-NRFANRHFSA-N 0 0 390.487 3.860 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000102903346 860620157 /nfs/dbraw/zinc/62/01/57/860620157.db2.gz JBFXUPPUAZZFOZ-AZUAARDMSA-N 0 0 396.466 3.737 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)C2)n1 ZINC000173069352 860647308 /nfs/dbraw/zinc/64/73/08/860647308.db2.gz XLYYKIZJPVVOBK-CABCVRRESA-N 0 0 389.546 3.524 10 0 GHAERN Cc1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CCO2)[nH]1 ZINC000173085618 860748845 /nfs/dbraw/zinc/74/88/45/860748845.db2.gz GCEUXEHFUMVVKM-CABCVRRESA-N 0 0 388.537 3.539 10 0 GHAERN CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)C[C@@H]1CCCO1 ZINC000102770085 860850966 /nfs/dbraw/zinc/85/09/66/860850966.db2.gz HUKOGRTZVBXDJE-FPOVZHCZSA-N 0 0 391.515 3.527 10 0 GHAERN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc3ncccc32)c1C ZINC000102836844 860877973 /nfs/dbraw/zinc/87/79/73/860877973.db2.gz HTEMZHQDUQGFSU-UHFFFAOYSA-N 0 0 383.473 3.947 10 0 GHAERN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000102850105 860879234 /nfs/dbraw/zinc/87/92/34/860879234.db2.gz BWTNOXSUSBCNFC-INIZCTEOSA-N 0 0 399.922 3.561 10 0 GHAERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cn1 ZINC000102940954 860912156 /nfs/dbraw/zinc/91/21/56/860912156.db2.gz NQJAZMDGUCTRHT-SFHVURJKSA-N 0 0 396.491 3.703 10 0 GHAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102958574 860920834 /nfs/dbraw/zinc/92/08/34/860920834.db2.gz ZDWZTPRAYDGZMF-HNAYVOBHSA-N 0 0 382.460 3.989 10 0 GHAERN Cc1cc(-c2noc([C@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060958 860985280 /nfs/dbraw/zinc/98/52/80/860985280.db2.gz USISTBDTERIXDY-SWLSCSKDSA-N 0 0 383.427 3.995 10 0 GHAERN Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000103036385 863325345 /nfs/dbraw/zinc/32/53/45/863325345.db2.gz VBCIYVSQVWXJJT-AWEZNQCLSA-N 0 0 379.323 3.757 10 0 GHAERN CC(C)C(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332982011 863406076 /nfs/dbraw/zinc/40/60/76/863406076.db2.gz XIHSDUNIJBCXOP-MOPGFXCFSA-N 0 0 384.520 3.976 10 0 GHAERN O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000103153076 863894910 /nfs/dbraw/zinc/89/49/10/863894910.db2.gz KOFAOZXBSQUCCF-UHFFFAOYSA-N 0 0 399.369 3.509 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(C(=O)NC4CC4)cc3)c21 ZINC000103234009 863917225 /nfs/dbraw/zinc/91/72/25/863917225.db2.gz SPJOYQSGTREBFD-UHFFFAOYSA-N 0 0 376.460 3.733 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c21 ZINC000103233902 863917669 /nfs/dbraw/zinc/91/76/69/863917669.db2.gz CENZOUFRFOSWCV-CYBMUJFWSA-N 0 0 378.432 3.560 10 0 GHAERN COc1ccc(-c2cnc(CSc3nncn3-c3ccc(OC)nc3)o2)cc1 ZINC000103352504 863970036 /nfs/dbraw/zinc/97/00/36/863970036.db2.gz XTYFKZNWFQLUIM-UHFFFAOYSA-N 0 0 395.444 3.627 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103728974 864072679 /nfs/dbraw/zinc/07/26/79/864072679.db2.gz YLCPALGFICZZGX-UHFFFAOYSA-N 0 0 378.219 3.538 10 0 GHAERN O=C(CN1C(=O)CCc2ccccc21)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151746417 864176290 /nfs/dbraw/zinc/17/62/90/864176290.db2.gz ZALIGTADQVHLNP-LJQANCHMSA-N 0 0 390.483 3.919 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC000104457286 864324702 /nfs/dbraw/zinc/32/47/02/864324702.db2.gz FZOQLGZUMSQXNY-UHFFFAOYSA-N 0 0 377.488 3.741 10 0 GHAERN CCc1noc([C@@H](C)N2CCN(C(=O)C3CCC(c4ccccc4)CC3)CC2)n1 ZINC000173353375 864532078 /nfs/dbraw/zinc/53/20/78/864532078.db2.gz HZZHMUVUOXWHRV-QHGAOEGBSA-N 0 0 396.535 3.811 10 0 GHAERN COc1cccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC000010027562 865097250 /nfs/dbraw/zinc/09/72/50/865097250.db2.gz DWAQOVOMHUITIK-ZHACJKMWSA-N 0 0 379.460 3.521 10 0 GHAERN CC(C)n1cnnc1C1CCN(c2nnc(Cc3ccccc3F)s2)CC1 ZINC000302129381 865725246 /nfs/dbraw/zinc/72/52/46/865725246.db2.gz GJPQWGDBJNIVDV-UHFFFAOYSA-N 0 0 386.500 3.824 10 0 GHAERN Fc1ccccc1Cc1nnc(N2CCC[C@@H](c3nncn3C3CC3)C2)s1 ZINC000302185377 865756022 /nfs/dbraw/zinc/75/60/22/865756022.db2.gz TYQGPGMADWERQI-CQSZACIVSA-N 0 0 384.484 3.578 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)s1)Nc1ccccc1 ZINC000105370722 866292965 /nfs/dbraw/zinc/29/29/65/866292965.db2.gz UZTUUBPYQVTUIR-INIZCTEOSA-N 0 0 384.505 3.702 10 0 GHAERN CC(C)(C(=O)Nc1ccc2c(c1)OCC(=O)N2)c1cccc(Br)c1 ZINC000102235786 881969844 /nfs/dbraw/zinc/96/98/44/881969844.db2.gz ZPGYWHABCOQRDJ-UHFFFAOYSA-N 0 0 389.249 3.696 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)n1 ZINC000110889969 866661667 /nfs/dbraw/zinc/66/16/67/866661667.db2.gz FAGURRJIKHTSBI-OCDPCBSRSA-N 0 0 396.535 3.947 10 0 GHAERN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000112701235 866738251 /nfs/dbraw/zinc/73/82/51/866738251.db2.gz BIERPZSFANJRMD-CQSZACIVSA-N 0 0 380.916 3.581 10 0 GHAERN CCn1cc(C2CCN(C(=O)Nc3nc4ccc(OC)cc4s3)CC2)cn1 ZINC000151213831 867006834 /nfs/dbraw/zinc/00/68/34/867006834.db2.gz BLFMNQLVELYHIK-UHFFFAOYSA-N 0 0 385.493 3.933 10 0 GHAERN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000170632796 882043534 /nfs/dbraw/zinc/04/35/34/882043534.db2.gz FMWBVTXJOVDIPW-UHFFFAOYSA-N 0 0 396.472 3.606 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170823041 882059172 /nfs/dbraw/zinc/05/91/72/882059172.db2.gz YYKLKKJXKSYUEN-KGVSQERTSA-N 0 0 388.467 3.614 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)cc2Cl)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000180432507 867280700 /nfs/dbraw/zinc/28/07/00/867280700.db2.gz YIXVJWMADIXXGY-YJYMSZOUSA-N 0 0 394.302 3.946 10 0 GHAERN COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000171197308 882087084 /nfs/dbraw/zinc/08/70/84/882087084.db2.gz XYSRKEZSSDVAMG-FQEVSTJZSA-N 0 0 378.472 3.795 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc(CSc4nc[nH]n4)cc3)CC2)n1 ZINC000171275005 882093141 /nfs/dbraw/zinc/09/31/41/882093141.db2.gz QPBWOQLAJMWQEV-UHFFFAOYSA-N 0 0 399.545 3.882 10 0 GHAERN COc1ccc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc2n1 ZINC000171312388 882097996 /nfs/dbraw/zinc/09/79/96/882097996.db2.gz LDSKTTMJUWBBDR-UHFFFAOYSA-N 0 0 395.484 3.796 10 0 GHAERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180705356 867693357 /nfs/dbraw/zinc/69/33/57/867693357.db2.gz FIKOZCQQAOLGDL-IRXDYDNUSA-N 0 0 395.425 3.609 10 0 GHAERN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171643698 882119626 /nfs/dbraw/zinc/11/96/26/882119626.db2.gz FFOKNYNAZRZNCQ-PYUISTEWSA-N 0 0 381.501 3.689 10 0 GHAERN O=C(NC1CCC(O)CC1)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000171572675 882143117 /nfs/dbraw/zinc/14/31/17/882143117.db2.gz KJEBFRMVDKHTMV-DQPZFDDXSA-N 0 0 389.496 3.929 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC(Cc4ccccn4)CC3)cc2NC1=O ZINC000171612686 882146062 /nfs/dbraw/zinc/14/60/62/882146062.db2.gz QYJRGRJUVLPWFS-AWEZNQCLSA-N 0 0 381.501 3.609 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000171767269 882160359 /nfs/dbraw/zinc/16/03/59/882160359.db2.gz CVNMIKJMTIULMO-LSDHHAIUSA-N 0 0 387.270 3.994 10 0 GHAERN CCc1nc(COc2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2)no1 ZINC000172212223 882187296 /nfs/dbraw/zinc/18/72/96/882187296.db2.gz LQKGHZHLCPEKEZ-OAHLLOKOSA-N 0 0 398.488 3.687 10 0 GHAERN C[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1cccc(Cl)c1Cl ZINC000172224400 882188448 /nfs/dbraw/zinc/18/84/48/882188448.db2.gz KHOLPSVGBWLCNY-NSHDSACASA-N 0 0 391.262 3.530 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC[C@@H]3C(=O)Nc4ccccc43)C2)n1 ZINC000172239272 882189904 /nfs/dbraw/zinc/18/99/04/882189904.db2.gz AFWGTKSHUYISFH-PBHICJAKSA-N 0 0 398.532 3.721 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2cccs2)c1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172454743 882277381 /nfs/dbraw/zinc/27/73/81/882277381.db2.gz VUFXGIFFVRWWNB-HKUYNNGSSA-N 0 0 393.468 3.780 10 0 GHAERN C[C@@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000172468337 882278976 /nfs/dbraw/zinc/27/89/76/882278976.db2.gz VYNUEHPCBLGIGJ-RHSMWYFYSA-N 0 0 390.443 3.828 10 0 GHAERN COc1cccc(C2CCN(C(=O)NC[C@H](CCO)c3ccccc3)CC2)c1 ZINC000172637879 882281199 /nfs/dbraw/zinc/28/11/99/882281199.db2.gz REUKOYFDBJGBBC-NRFANRHFSA-N 0 0 382.504 3.750 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)NCC[C@H]3c4ccccc4NC3=O)CC2)c1 ZINC000172649029 882282372 /nfs/dbraw/zinc/28/23/72/882282372.db2.gz BTRANIFYDALZJZ-FQEVSTJZSA-N 0 0 392.503 3.707 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172550448 882294610 /nfs/dbraw/zinc/29/46/10/882294610.db2.gz YIKIWVQHEOJUKJ-QFIPXVFZSA-N 0 0 394.490 3.815 10 0 GHAERN Cc1ccc(C[C@@H](C)N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000172471454 882287821 /nfs/dbraw/zinc/28/78/21/882287821.db2.gz ZQMPPCRMGPPADS-QGZVFWFLSA-N 0 0 384.545 3.998 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)C2)n1 ZINC000153091898 869403381 /nfs/dbraw/zinc/40/33/81/869403381.db2.gz RLMQHJGEBBFQJH-RRMPHLOHSA-N 0 0 381.524 3.955 10 0 GHAERN COc1ccccc1C/C(C)=C/C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000114651564 869706046 /nfs/dbraw/zinc/70/60/46/869706046.db2.gz HFJJZXOWLODLFX-QZMUEMGWSA-N 0 0 395.434 3.920 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C(C)C ZINC000173023091 882333030 /nfs/dbraw/zinc/33/30/30/882333030.db2.gz JQBVYZQQIOLDLZ-OAQYLSRUSA-N 0 0 379.504 3.756 10 0 GHAERN O=C(Nc1ccccc1OCC1CC1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000173164709 882337186 /nfs/dbraw/zinc/33/71/86/882337186.db2.gz ILSWGKIRMBFTEY-IBGZPJMESA-N 0 0 379.460 3.504 10 0 GHAERN O=C(C1CCN(C(=O)[C@H]2SCCc3ccccc32)CC1)N1CCCCCC1 ZINC000173126076 882351379 /nfs/dbraw/zinc/35/13/79/882351379.db2.gz OKBPNTMSEBHWRI-FQEVSTJZSA-N 0 0 386.561 3.658 10 0 GHAERN C[C@H](CCc1ccccc1F)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000173364491 882355738 /nfs/dbraw/zinc/35/57/38/882355738.db2.gz OQATUFXDTQHBNM-MRXNPFEDSA-N 0 0 388.508 3.831 10 0 GHAERN COc1ccc([C@@H](C)N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000173378634 882357647 /nfs/dbraw/zinc/35/76/47/882357647.db2.gz XHRVEKMLFMJWKA-QGZVFWFLSA-N 0 0 382.508 3.770 10 0 GHAERN Cc1c(C(=O)N[C@@H](c2nccs2)c2ccccc2)cccc1N1CCNC1=O ZINC000173534942 882375992 /nfs/dbraw/zinc/37/59/92/882375992.db2.gz LWYRQVCULBPTKT-GOSISDBHSA-N 0 0 392.484 3.501 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)C1 ZINC000188094946 870265941 /nfs/dbraw/zinc/26/59/41/870265941.db2.gz JZZDOZPYYJTSOE-IFMALSPDSA-N 0 0 377.488 3.651 10 0 GHAERN Cc1nn(C)c(C)c1CN1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000173685660 882392248 /nfs/dbraw/zinc/39/22/48/882392248.db2.gz IBBDXVYFVSRZHI-UHFFFAOYSA-N 0 0 399.926 3.663 10 0 GHAERN CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)NCc1cccnc1-n1cncn1 ZINC000173803435 882405296 /nfs/dbraw/zinc/40/52/96/882405296.db2.gz IANPJZYIKZUFCP-FQEVSTJZSA-N 0 0 392.507 3.524 10 0 GHAERN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046483697 870434583 /nfs/dbraw/zinc/43/45/83/870434583.db2.gz NYMVCBHSGXQCTB-PMACEKPBSA-N 0 0 388.471 3.718 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000174068043 882421345 /nfs/dbraw/zinc/42/13/45/882421345.db2.gz BETNNQLKIUSBAS-QFIPXVFZSA-N 0 0 397.494 3.805 10 0 GHAERN Cc1cn2c(CN3CCC(c4nc(-c5ccccn5)no4)CC3)c(C)nc2s1 ZINC000092709215 882422594 /nfs/dbraw/zinc/42/25/94/882422594.db2.gz DUSDSNNGIXIXHP-UHFFFAOYSA-N 0 0 394.504 3.837 10 0 GHAERN Cc1cc(Cl)ccc1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174258799 882439820 /nfs/dbraw/zinc/43/98/20/882439820.db2.gz VLCVRBQCCRRQIW-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2F)n1 ZINC000163552332 870847094 /nfs/dbraw/zinc/84/70/94/870847094.db2.gz PAPPPQAAMKVFFD-HRAATJIYSA-N 0 0 386.471 3.787 10 0 GHAERN CCS[C@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000174375846 882460014 /nfs/dbraw/zinc/46/00/14/882460014.db2.gz ZKBLRMYHLJBQJP-OALUTQOASA-N 0 0 392.540 3.811 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)N3CCC(Nc4ccccc4F)CC3)cc2NC1=O ZINC000174738786 882499728 /nfs/dbraw/zinc/49/97/28/882499728.db2.gz RNJCKGNQRBFDSX-CYBMUJFWSA-N 0 0 398.438 3.654 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)nc21 ZINC000175046611 882518989 /nfs/dbraw/zinc/51/89/89/882518989.db2.gz RKWRDWCSDJFUFF-MRXNPFEDSA-N 0 0 388.475 3.604 10 0 GHAERN O=C(Nc1ccc(N2CCCC2)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175028009 882516669 /nfs/dbraw/zinc/51/66/69/882516669.db2.gz MRXLWLFNAAGOJB-UHFFFAOYSA-N 0 0 383.471 3.929 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3occc3Br)C2)c1 ZINC000175399779 882550424 /nfs/dbraw/zinc/55/04/24/882550424.db2.gz NAYOGEGIJFUJHZ-LLVKDONJSA-N 0 0 380.238 3.689 10 0 GHAERN COc1ccccc1[C@@H](CC(C)C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000175246186 882560720 /nfs/dbraw/zinc/56/07/20/882560720.db2.gz GEESCLKNFZXZFU-LJQANCHMSA-N 0 0 397.523 3.541 10 0 GHAERN CCS[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175263474 882562337 /nfs/dbraw/zinc/56/23/37/882562337.db2.gz JTRJWGZQFVALOA-MOPGFXCFSA-N 0 0 392.540 3.858 10 0 GHAERN Cc1cccc(-c2nc(CC(=O)NCCCNC(=O)OC(C)(C)C)cs2)c1 ZINC000103444485 872000105 /nfs/dbraw/zinc/00/01/05/872000105.db2.gz OGTMGAAEEAEMSG-UHFFFAOYSA-N 0 0 389.521 3.692 10 0 GHAERN O=C(NCc1cccnc1-n1cccn1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000175454346 882583291 /nfs/dbraw/zinc/58/32/91/882583291.db2.gz ZFYSDIMOPPNAJL-QGZVFWFLSA-N 0 0 393.516 3.591 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C12CCCC2 ZINC000150815351 872443600 /nfs/dbraw/zinc/44/36/00/872443600.db2.gz GXZJBBPDAWGDKS-DOPJRALCSA-N 0 0 388.533 3.929 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@@H]1CCc2cc(F)ccc21 ZINC000101990928 872460851 /nfs/dbraw/zinc/46/08/51/872460851.db2.gz YRLZUGJQZYHVHV-HXUWFJFHSA-N 0 0 381.451 3.829 10 0 GHAERN CN(C(=O)CNC1(c2noc(C3CC3)n2)CCCC1)[C@@H]1CCCc2ccccc21 ZINC000174246416 873089185 /nfs/dbraw/zinc/08/91/85/873089185.db2.gz DBBBTADULIVVBZ-LJQANCHMSA-N 0 0 394.519 3.842 10 0 GHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000176733830 882708648 /nfs/dbraw/zinc/70/86/48/882708648.db2.gz BYSQUKYPSWZWPJ-QVKFZJNVSA-N 0 0 395.478 3.513 10 0 GHAERN CCS[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176748134 882709989 /nfs/dbraw/zinc/70/99/89/882709989.db2.gz QWRCEJFVIACGBJ-JKSUJKDBSA-N 0 0 380.579 3.781 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)no1 ZINC000102744439 873526124 /nfs/dbraw/zinc/52/61/24/873526124.db2.gz JGMLAIDNPBKFGX-TXEJJXNPSA-N 0 0 383.370 3.868 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000176788389 882733961 /nfs/dbraw/zinc/73/39/61/882733961.db2.gz APRDEWVPLDIOIV-NJTIBFSMSA-N 0 0 390.439 3.867 10 0 GHAERN CCc1cccc2c(CC(=O)NC3CCN(c4cccc(C)n4)CC3)c[nH]c21 ZINC000116669187 873614531 /nfs/dbraw/zinc/61/45/31/873614531.db2.gz XEPOUKGSHLXBKL-UHFFFAOYSA-N 0 0 376.504 3.761 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)Nc3cnn(C)c3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102802440 873649428 /nfs/dbraw/zinc/64/94/28/873649428.db2.gz BJHPPLWSMVBZRI-VXGBXAGGSA-N 0 0 397.401 3.697 10 0 GHAERN Cc1c(C[S@](C)=O)cccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000116847855 873730879 /nfs/dbraw/zinc/73/08/79/873730879.db2.gz ACQRSRNAVZSXTF-WHLCRQNOSA-N 0 0 399.516 3.509 10 0 GHAERN O=c1ccc(-c2ccc(F)cc2)nn1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921108 873881559 /nfs/dbraw/zinc/88/15/59/873881559.db2.gz KZBVOIVRGXEWTA-LJQANCHMSA-N 0 0 393.418 3.573 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117612645 874075196 /nfs/dbraw/zinc/07/51/96/874075196.db2.gz HUUQXTDWDIXEJB-YVEFUNNKSA-N 0 0 392.377 3.790 10 0 GHAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC=C(c2cccs2)CC1 ZINC000117721234 874147999 /nfs/dbraw/zinc/14/79/99/874147999.db2.gz DMHXPRJSYPILDD-UHFFFAOYSA-N 0 0 389.470 3.735 10 0 GHAERN CCCn1c(C)cc(C(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1C ZINC000004305940 874215279 /nfs/dbraw/zinc/21/52/79/874215279.db2.gz GMCSPHIOMZCTLZ-JOCHJYFZSA-N 0 0 381.476 3.555 10 0 GHAERN O=C(CN1CCO[C@H](c2ccco2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000177692488 882842361 /nfs/dbraw/zinc/84/23/61/882842361.db2.gz BFZQVABDPOSLSB-AWEZNQCLSA-N 0 0 388.773 3.964 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161899081 874783689 /nfs/dbraw/zinc/78/36/89/874783689.db2.gz PNAXCLCCUIQDLS-UXHICEINSA-N 0 0 375.557 3.826 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1)C(C)C ZINC000119046907 874855862 /nfs/dbraw/zinc/85/58/62/874855862.db2.gz PEHJHHRMOZABAK-NRFANRHFSA-N 0 0 396.491 3.524 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000105000110 874941339 /nfs/dbraw/zinc/94/13/39/874941339.db2.gz OZTGVXRJBPCAMH-SDNWHVSQSA-N 0 0 382.460 3.978 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000178553463 882901950 /nfs/dbraw/zinc/90/19/50/882901950.db2.gz PPFJRJGTDFAYMT-LBPRGKRZSA-N 0 0 392.912 3.910 10 0 GHAERN CO[C@@H]1CCC[C@H]1OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000120066069 875434568 /nfs/dbraw/zinc/43/45/68/875434568.db2.gz ISOXNZRNTAENOT-NHCUHLMSSA-N 0 0 381.472 3.803 10 0 GHAERN O=C(CCc1nc(-c2ccccn2)no1)OCCc1ccccc1C(F)(F)F ZINC000105776022 875456762 /nfs/dbraw/zinc/45/67/62/875456762.db2.gz VRCPXKGBDOJWLP-UHFFFAOYSA-N 0 0 391.349 3.869 10 0 GHAERN COc1ccc(-c2cc(C(=O)N3CCC(n4cncn4)CC3)sc2C)cc1 ZINC000120403645 876022119 /nfs/dbraw/zinc/02/21/19/876022119.db2.gz BNYVXLHFLUOJLB-UHFFFAOYSA-N 0 0 382.489 3.801 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1 ZINC000120733907 876251828 /nfs/dbraw/zinc/25/18/28/876251828.db2.gz GKZTTZVKPJSKBS-YRNVUSSQSA-N 0 0 375.428 3.970 10 0 GHAERN O=C(Nc1ccc(Cl)c(OC(F)F)c1)NC1CCN(c2ncccn2)CC1 ZINC000180134243 883022599 /nfs/dbraw/zinc/02/25/99/883022599.db2.gz BHWRMFXUKBHXQX-UHFFFAOYSA-N 0 0 397.813 3.522 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121319890 876933133 /nfs/dbraw/zinc/93/31/33/876933133.db2.gz LMJOAFBPAZEKHT-VFNWGFHPSA-N 0 0 378.403 3.706 10 0 GHAERN O=C(N[C@@H](CC1CCC1)c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000180646037 883089457 /nfs/dbraw/zinc/08/94/57/883089457.db2.gz POOWSPHIOQVYDM-QFIPXVFZSA-N 0 0 391.515 3.982 10 0 GHAERN CCCc1csc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000180665750 883093067 /nfs/dbraw/zinc/09/30/67/883093067.db2.gz BTJQCQSKKXACJN-UHFFFAOYSA-N 0 0 378.542 3.742 10 0 GHAERN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180857784 883103626 /nfs/dbraw/zinc/10/36/26/883103626.db2.gz TUKRBULKLVYSCT-UHFFFAOYSA-N 0 0 391.471 3.966 10 0 GHAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CCC(Oc2ccc(C)cn2)CC1 ZINC000180865115 883105146 /nfs/dbraw/zinc/10/51/46/883105146.db2.gz SHEZVZJPUIQWDH-UHFFFAOYSA-N 0 0 381.432 3.559 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Cc3c(C)nn(C(F)F)c3C)C2)cc1 ZINC000122000278 878216997 /nfs/dbraw/zinc/21/69/97/878216997.db2.gz KZKKTFQBKFYMFJ-MLGOLLRUSA-N 0 0 377.435 3.851 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000024327100 878368206 /nfs/dbraw/zinc/36/82/06/878368206.db2.gz LZTHILNZHZDKHP-RMKNXTFCSA-N 0 0 398.413 3.750 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@H](C)[C@@H](C)C3CCCCC3)CC2)n1 ZINC000175390451 879146577 /nfs/dbraw/zinc/14/65/77/879146577.db2.gz MMKNLJJYMXAVMR-HUUCEWRRSA-N 0 0 379.574 3.673 10 0 GHAERN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000122939785 879743260 /nfs/dbraw/zinc/74/32/60/879743260.db2.gz NASKNLZTSOYSQO-CVEARBPZSA-N 0 0 375.490 3.559 10 0 GHAERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)NCc1cscn1 ZINC000123273175 880175583 /nfs/dbraw/zinc/17/55/83/880175583.db2.gz JMFKZZOHNOWRHT-NHYWBVRUSA-N 0 0 396.310 3.577 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000123296767 880188942 /nfs/dbraw/zinc/18/89/42/880188942.db2.gz CLNMERSFRRHNMJ-IEKAHNGHSA-N 0 0 397.478 3.893 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccncc1 ZINC000181556142 883163290 /nfs/dbraw/zinc/16/32/90/883163290.db2.gz UYYVSLIJQSAGFL-CXAGYDPISA-N 0 0 379.382 3.945 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)Cc3coc(-c4cccs4)n3)CC2)nc1 ZINC000181567975 883163809 /nfs/dbraw/zinc/16/38/09/883163809.db2.gz KQLUWBYWERZXEW-UHFFFAOYSA-N 0 0 383.473 3.719 10 0 GHAERN O=C(c1c(O)cnc2ccccc21)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000182083227 883203633 /nfs/dbraw/zinc/20/36/33/883203633.db2.gz QUYGFJZUBVMRQC-UHFFFAOYSA-N 0 0 390.365 3.633 10 0 GHAERN O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182108421 883204540 /nfs/dbraw/zinc/20/45/40/883204540.db2.gz GWRMZANAECSJDH-PDFOZTTASA-N 0 0 393.422 3.898 10 0 GHAERN Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2cnn(C)c2)c1 ZINC000182480048 883223062 /nfs/dbraw/zinc/22/30/62/883223062.db2.gz IICIMKDBLJTQTB-SFHVURJKSA-N 0 0 399.495 3.554 10 0 GHAERN CC[C@@H](C)Oc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccn1 ZINC000182528931 883225931 /nfs/dbraw/zinc/22/59/31/883225931.db2.gz AUAKXJGNZAHCBJ-QGZVFWFLSA-N 0 0 387.524 3.514 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000182553988 883226987 /nfs/dbraw/zinc/22/69/87/883226987.db2.gz PSTVBGYFBOEPTQ-INIZCTEOSA-N 0 0 388.431 3.796 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183065770 883259781 /nfs/dbraw/zinc/25/97/81/883259781.db2.gz KTECXQXTRSUKID-AWEZNQCLSA-N 0 0 396.373 3.541 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)CC2)nc1 ZINC000183587985 883290638 /nfs/dbraw/zinc/29/06/38/883290638.db2.gz FPZUQYWOLGQTRV-PXNSSMCTSA-N 0 0 379.508 3.547 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)CCCc2ccccc2)c2ccc(F)cc2C1 ZINC000184018547 883298838 /nfs/dbraw/zinc/29/88/38/883298838.db2.gz DNCWYXCIHWDOKW-JOCHJYFZSA-N 0 0 397.494 3.893 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)c1C ZINC000184022036 883300187 /nfs/dbraw/zinc/30/01/87/883300187.db2.gz JBLCSGZKZZVBIE-LBPRGKRZSA-N 0 0 376.844 3.570 10 0 GHAERN Cc1cc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1Cl ZINC000183862457 883307050 /nfs/dbraw/zinc/30/70/50/883307050.db2.gz QKVOOHGYZMWCKJ-UHFFFAOYSA-N 0 0 376.909 3.879 10 0 GHAERN Cn1cc(CNC(=O)N2CCC(Cc3ccccn3)CC2)c(-c2ccccc2)n1 ZINC000184103281 883319630 /nfs/dbraw/zinc/31/96/30/883319630.db2.gz JHSFNFJJBKAPJC-UHFFFAOYSA-N 0 0 389.503 3.646 10 0 GHAERN O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184121252 883321518 /nfs/dbraw/zinc/32/15/18/883321518.db2.gz OCHPOJUUEYDVJI-UHFFFAOYSA-N 0 0 384.455 3.896 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000184749223 883365579 /nfs/dbraw/zinc/36/55/79/883365579.db2.gz OVIUBLWYNODHCJ-HSZRJFAPSA-N 0 0 390.439 3.577 10 0 GHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184705824 883380088 /nfs/dbraw/zinc/38/00/88/883380088.db2.gz MFDYPHSLLVMGIJ-UYAOXDASSA-N 0 0 378.557 3.613 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000184859819 883387842 /nfs/dbraw/zinc/38/78/42/883387842.db2.gz GQDAWWBOTFHPIU-ZBFHGGJFSA-N 0 0 387.505 3.906 10 0 GHAERN COc1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1F ZINC000185118982 883423015 /nfs/dbraw/zinc/42/30/15/883423015.db2.gz QXMKVDHFHIEUDO-GOSISDBHSA-N 0 0 389.402 3.588 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 ZINC000102547564 883542379 /nfs/dbraw/zinc/54/23/79/883542379.db2.gz YVMSRWBGRYGESJ-LJQANCHMSA-N 0 0 385.508 3.555 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H]2CCOc3ccccc32)c2ccc(F)cc2C1 ZINC000185506480 883547539 /nfs/dbraw/zinc/54/75/39/883547539.db2.gz TWCOSBVEJZCNNS-KKSFZXQISA-N 0 0 396.462 3.692 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(OC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185541741 883553848 /nfs/dbraw/zinc/55/38/48/883553848.db2.gz ALXUEJXCLNDEGE-SFHVURJKSA-N 0 0 392.377 3.650 10 0 GHAERN O=C(c1cc(COc2ccccc2F)on1)N1CCC[C@H](c2nccs2)C1 ZINC000185570250 883558254 /nfs/dbraw/zinc/55/82/54/883558254.db2.gz ZQLCTHLDQNBIPC-ZDUSSCGKSA-N 0 0 387.436 3.869 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185564730 883558497 /nfs/dbraw/zinc/55/84/97/883558497.db2.gz YOQBYRFGKDFICL-QKKBWIMNSA-N 0 0 386.442 3.753 10 0 GHAERN COc1ccc(CN(C)C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000102567720 883581252 /nfs/dbraw/zinc/58/12/52/883581252.db2.gz HSYFKAPMSREFCE-UHFFFAOYSA-N 0 0 383.423 3.873 10 0 GHAERN COc1ccccc1[C@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccccn1 ZINC000186304010 883630505 /nfs/dbraw/zinc/63/05/05/883630505.db2.gz XAWVMWRHUNUMOB-GCJKJVERSA-N 0 0 394.496 3.688 10 0 GHAERN C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2c(O)cccc21 ZINC000186335360 883633080 /nfs/dbraw/zinc/63/30/80/883633080.db2.gz VVEFNYBYFPIHMT-CQSZACIVSA-N 0 0 384.501 3.846 10 0 GHAERN Cc1cc(Br)cc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1N ZINC000186528120 883661310 /nfs/dbraw/zinc/66/13/10/883661310.db2.gz KFYZYGTZRNLQTA-GFCCVEGCSA-N 0 0 392.228 3.543 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccc(Br)cc3)ccc2NC1=O ZINC000186576761 883664721 /nfs/dbraw/zinc/66/47/21/883664721.db2.gz GPWHBVNARGIQJC-UHFFFAOYSA-N 0 0 389.253 3.748 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)ccc2NC1=O ZINC000186633916 883679353 /nfs/dbraw/zinc/67/93/53/883679353.db2.gz JVEUTTNQAYIULR-RTBURBONSA-N 0 0 380.448 3.706 10 0 GHAERN O=C(NCc1cscn1)C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000102585540 883695818 /nfs/dbraw/zinc/69/58/18/883695818.db2.gz SNKCVYSBWICNJR-UHFFFAOYSA-N 0 0 379.485 3.573 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186783699 883702093 /nfs/dbraw/zinc/70/20/93/883702093.db2.gz XUAGKDZTDXEDCO-RTBURBONSA-N 0 0 382.508 3.769 10 0 GHAERN Cc1cc(C(=O)NC2CCN(CCC(=O)c3ccc(F)cc3F)CC2)c(C)o1 ZINC000186934215 883719120 /nfs/dbraw/zinc/71/91/20/883719120.db2.gz CZFQNJIHDKFEQK-UHFFFAOYSA-N 0 0 390.430 3.642 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@@H](C)c3cn(C)c4ccccc34)CC2)nc1 ZINC000187020098 883731567 /nfs/dbraw/zinc/73/15/67/883731567.db2.gz TZCKQTSZKIJUDF-KRWDZBQOSA-N 0 0 376.504 3.770 10 0 GHAERN O=C(NC1CCC(O)(c2cccnc2)CC1)c1csc(-c2ccsc2)n1 ZINC000187322677 883768895 /nfs/dbraw/zinc/76/88/95/883768895.db2.gz RAPARGPWFRJTCE-UHFFFAOYSA-N 0 0 385.514 3.827 10 0 GHAERN COc1cnccc1[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000187476115 883793896 /nfs/dbraw/zinc/79/38/96/883793896.db2.gz BFMFKIMELQHFAX-AWEZNQCLSA-N 0 0 380.448 3.882 10 0 GHAERN CC(C)(C)c1nc(CCNC(=O)N2CCC(Nc3nccs3)CC2)cs1 ZINC000187737080 883817821 /nfs/dbraw/zinc/81/78/21/883817821.db2.gz GAQVJRMASYCIFU-UHFFFAOYSA-N 0 0 393.582 3.726 10 0 GHAERN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000188162887 883828163 /nfs/dbraw/zinc/82/81/63/883828163.db2.gz UBBBRTLQYSEEFS-FQEVSTJZSA-N 0 0 386.455 3.864 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccc(CCC(F)(F)F)cc3)CC2)n[nH]1 ZINC000188405629 883847266 /nfs/dbraw/zinc/84/72/66/883847266.db2.gz HEZLVOKAXVRASL-UHFFFAOYSA-N 0 0 381.402 3.567 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188689726 883870043 /nfs/dbraw/zinc/87/00/43/883870043.db2.gz LKLTZIVAWCOOLM-KRWDZBQOSA-N 0 0 391.427 3.537 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2C(F)(F)F)cs1 ZINC000189451712 883955920 /nfs/dbraw/zinc/95/59/20/883955920.db2.gz RKCHTTYLEAIWIQ-AWEZNQCLSA-N 0 0 383.395 3.773 10 0 GHAERN Cc1nn(C)cc1NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000189622979 883973587 /nfs/dbraw/zinc/97/35/87/883973587.db2.gz OOCGHUIBARAWMW-UHFFFAOYSA-N 0 0 396.322 3.821 10 0 GHAERN Cc1onc(-c2ccccn2)c1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189841273 884015782 /nfs/dbraw/zinc/01/57/82/884015782.db2.gz UQAXZTMRDUGILU-UHFFFAOYSA-N 0 0 375.428 3.754 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)NCc2ccc(OC(F)F)cc2)cs1 ZINC000189848299 884016317 /nfs/dbraw/zinc/01/63/17/884016317.db2.gz OUMZJGUKBMRMRS-INIZCTEOSA-N 0 0 381.448 3.506 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000190080012 884036089 /nfs/dbraw/zinc/03/60/89/884036089.db2.gz XZWVPDREPDFLSN-MSOLQXFVSA-N 0 0 398.850 3.696 10 0 GHAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190281136 884064782 /nfs/dbraw/zinc/06/47/82/884064782.db2.gz UCVVPJTVMMWMKX-CZUORRHYSA-N 0 0 375.463 3.900 10 0 GHAERN Cc1cc(-n2c(C)cc(C(=O)N3CCC(Nc4nccs4)CC3)c2C)no1 ZINC000190374761 884071954 /nfs/dbraw/zinc/07/19/54/884071954.db2.gz CFRYJTGUDMLIAO-UHFFFAOYSA-N 0 0 385.493 3.564 10 0 GHAERN O=C(c1cccc(OCc2cccnc2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190393828 884075021 /nfs/dbraw/zinc/07/50/21/884075021.db2.gz YDFCMOFXEYUIBK-UHFFFAOYSA-N 0 0 394.500 3.834 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)c[nH]3)cnc21 ZINC000191957646 884222309 /nfs/dbraw/zinc/22/23/09/884222309.db2.gz IXDSVHAAWVDAJA-IBGZPJMESA-N 0 0 386.459 3.726 10 0 GHAERN Cn1cc([C@H]2CSCCN2C(=O)c2csc(-c3ccsc3)n2)cn1 ZINC000192010057 884230088 /nfs/dbraw/zinc/23/00/88/884230088.db2.gz HHMGCUROWCKVQM-CQSZACIVSA-N 0 0 376.532 3.535 10 0 GHAERN Cc1csc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1Br ZINC000192047955 884231722 /nfs/dbraw/zinc/23/17/22/884231722.db2.gz FIQWEMYOOGDAGT-UHFFFAOYSA-N 0 0 394.338 3.921 10 0 GHAERN CC(C)c1c(NC(=O)Nc2cnn(-c3ncccn3)c2)cnn1-c1ccccc1 ZINC000192221688 884260303 /nfs/dbraw/zinc/26/03/03/884260303.db2.gz FKKLPMVYJVBRPW-UHFFFAOYSA-N 0 0 388.435 3.615 10 0 GHAERN COCc1ccc(NC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000192551093 884280056 /nfs/dbraw/zinc/28/00/56/884280056.db2.gz OWURTDFRZHQKEL-UHFFFAOYSA-N 0 0 393.487 3.666 10 0 GHAERN COc1cc(SC)ccc1NC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000192671640 884288039 /nfs/dbraw/zinc/28/80/39/884288039.db2.gz VFWDZCKYBRVJIK-KRWDZBQOSA-N 0 0 383.477 3.755 10 0 GHAERN CC(C)(C)c1cnc(CCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)o1 ZINC000193287797 884335682 /nfs/dbraw/zinc/33/56/82/884335682.db2.gz PXBBGJGCXWOGJY-UHFFFAOYSA-N 0 0 389.540 3.546 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000102723175 884371025 /nfs/dbraw/zinc/37/10/25/884371025.db2.gz WWUDGIFXXWWTEE-FQEVSTJZSA-N 0 0 398.528 3.696 10 0 GHAERN C[C@@H](NC(=O)N[C@@H](C)C(C)(C)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000102804313 884467714 /nfs/dbraw/zinc/46/77/14/884467714.db2.gz MYQILDXSBJRCCT-SJORKVTESA-N 0 0 377.492 3.994 10 0 GHAERN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)C(=O)NCc1cscn1 ZINC000102814692 884490942 /nfs/dbraw/zinc/49/09/42/884490942.db2.gz NUFYACDOKWJTKT-HNNXBMFYSA-N 0 0 395.484 3.846 10 0 GHAERN CCOc1ccc(CN2CCN(C(=O)CCc3ccccc3OCC)CC2)cc1 ZINC000105308175 884704706 /nfs/dbraw/zinc/70/47/06/884704706.db2.gz NNQSEKTXASPXDD-UHFFFAOYSA-N 0 0 396.531 3.761 10 0 GHAERN O=C(CC[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1)N1CCc2ccccc21 ZINC000105685543 884829012 /nfs/dbraw/zinc/82/90/12/884829012.db2.gz DKWKWOAKXCICEU-NDEPHWFRSA-N 0 0 398.459 3.709 10 0 GHAERN Cc1oc(-c2cccs2)nc1C[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105681082 884829301 /nfs/dbraw/zinc/82/93/01/884829301.db2.gz RBALHJXSMRRXRE-RUZDIDTESA-N 0 0 375.431 3.803 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)CCCOCCc3ccccc3)n2)c1 ZINC000105689921 884830764 /nfs/dbraw/zinc/83/07/64/884830764.db2.gz CVYZNRHPYSZGJZ-MHZLTWQESA-N 0 0 384.501 3.943 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C1=O ZINC000105728082 884845609 /nfs/dbraw/zinc/84/56/09/884845609.db2.gz WGXRZBNUPKZCDG-HXUWFJFHSA-N 0 0 396.834 3.747 10 0 GHAERN CCOc1ccc(-c2nc(C[S@](=O)CC(=O)NC(C)(C)CC)cs2)cc1 ZINC000105665438 884872913 /nfs/dbraw/zinc/87/29/13/884872913.db2.gz BUGBAZSOBOAZIY-AREMUKBSSA-N 0 0 394.562 3.762 10 0 GHAERN CCOc1ccc(CNC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cc1F ZINC000105985319 884939666 /nfs/dbraw/zinc/93/96/66/884939666.db2.gz WRURMEJOQLWPLT-UHFFFAOYSA-N 0 0 397.450 3.520 10 0 GHAERN CCOc1ccc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000103974723 885205535 /nfs/dbraw/zinc/20/55/35/885205535.db2.gz DTNQEOOPHFBILH-INIZCTEOSA-N 0 0 386.467 3.752 10 0 GHAERN CCCn1c(=O)[nH]nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003534591 885254016 /nfs/dbraw/zinc/25/40/16/885254016.db2.gz LPAQCULIXQINOV-UHFFFAOYSA-N 0 0 380.558 3.568 10 0 GHAERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 ZINC000102957679 885980939 /nfs/dbraw/zinc/98/09/39/885980939.db2.gz IKBVESPKUAPDEZ-INIZCTEOSA-N 0 0 397.431 3.518 10 0 GHAERN CN(C)C(=O)c1cccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000105627329 886018153 /nfs/dbraw/zinc/01/81/53/886018153.db2.gz CMAYPOHCYBODOY-UHFFFAOYSA-N 0 0 381.407 3.754 10 0 GHAERN COc1ccsc1C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000105950368 886021112 /nfs/dbraw/zinc/02/11/12/886021112.db2.gz BBYVGQBDZRPFET-UHFFFAOYSA-N 0 0 385.411 3.569 10 0 GHAERN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000106015869 886022736 /nfs/dbraw/zinc/02/27/36/886022736.db2.gz JFBYEVQLQWXCOC-AWEZNQCLSA-N 0 0 393.413 3.704 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000106783065 886038986 /nfs/dbraw/zinc/03/89/86/886038986.db2.gz XODIZDZMYQNITD-HVHJFMEUSA-N 0 0 390.409 3.663 10 0 GHAERN CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000028193011 886090666 /nfs/dbraw/zinc/09/06/66/886090666.db2.gz PNZWZQJAVMFNDT-INIZCTEOSA-N 0 0 382.460 3.566 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110217300 886190658 /nfs/dbraw/zinc/19/06/58/886190658.db2.gz IVUVIFSKFORVMO-CABCVRRESA-N 0 0 391.302 3.672 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000112912687 886278013 /nfs/dbraw/zinc/27/80/13/886278013.db2.gz CIEIHOFYZVJCJD-JKSUJKDBSA-N 0 0 390.455 3.505 10 0 GHAERN CC(=O)Nc1nc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cs1 ZINC000113217134 886286909 /nfs/dbraw/zinc/28/69/09/886286909.db2.gz VWFZZOULVKMYCR-OAHLLOKOSA-N 0 0 395.488 3.511 10 0 GHAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219671 886287021 /nfs/dbraw/zinc/28/70/21/886287021.db2.gz KPNLPKKCVCBSEQ-LJQANCHMSA-N 0 0 398.470 3.677 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000114826351 886329068 /nfs/dbraw/zinc/32/90/68/886329068.db2.gz LOVFXJPPRNUCRO-RDJZCZTQSA-N 0 0 398.532 3.920 10 0 GHAERN O=C(NCCc1ccc(Cl)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000119269253 886440186 /nfs/dbraw/zinc/44/01/86/886440186.db2.gz KWLXNEQVBLFKHA-UHFFFAOYSA-N 0 0 376.863 3.703 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000119390639 886455458 /nfs/dbraw/zinc/45/54/58/886455458.db2.gz BYAAUDJGQIJDGU-CQSZACIVSA-N 0 0 394.441 3.872 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(-c2ccccc2)no1 ZINC000119830681 886480807 /nfs/dbraw/zinc/48/08/07/886480807.db2.gz VCSJLROIYDZLJW-GDBMZVCRSA-N 0 0 397.504 3.886 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(n2cncn2)CC1 ZINC000120364155 886515121 /nfs/dbraw/zinc/51/51/21/886515121.db2.gz VAQISBRZSROZSW-UHFFFAOYSA-N 0 0 393.925 3.523 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCC[C@H](C(=O)c3ccc(F)cc3)C1)CCC2 ZINC000332681021 886540232 /nfs/dbraw/zinc/54/02/32/886540232.db2.gz HTJCCMPZRXWIAT-MSOLQXFVSA-N 0 0 398.482 3.513 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)C[C@H](C)O1 ZINC000332743388 886541971 /nfs/dbraw/zinc/54/19/71/886541971.db2.gz OKOFNZULKPJTGF-QKPAOTATSA-N 0 0 395.569 3.727 10 0 GHAERN Cc1noc([C@H](NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C2CCOCC2)n1 ZINC000332775459 886543455 /nfs/dbraw/zinc/54/34/55/886543455.db2.gz RQEKRLMXJCIGQI-GDZNZVCISA-N 0 0 393.846 3.558 10 0 GHAERN CNC(=O)c1ccc(OC)c(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000121448502 886559695 /nfs/dbraw/zinc/55/96/95/886559695.db2.gz OYQOCUVYYZYXST-UHFFFAOYSA-N 0 0 383.423 3.515 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CCC(c4cnn(CC)c4)CC3)ccc2[nH]1 ZINC000124144483 886710127 /nfs/dbraw/zinc/71/01/27/886710127.db2.gz FAHGQBZYNPFWBR-UHFFFAOYSA-N 0 0 394.475 3.581 10 0 GHAERN CCN(C(=O)N[C@H](c1noc(C)n1)c1ccccc1F)[C@H](C)c1cccnc1 ZINC000124352457 886735110 /nfs/dbraw/zinc/73/51/10/886735110.db2.gz VTXCGEMBPAHNAP-ACJLOTCBSA-N 0 0 383.427 3.794 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CC[C@H](Cc3ccccc3)C2)c2ccccc2F)no1 ZINC000124489219 886755453 /nfs/dbraw/zinc/75/54/53/886755453.db2.gz AGJQKLKSSMFBCZ-XLIONFOSSA-N 0 0 394.450 3.881 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000125012882 886820059 /nfs/dbraw/zinc/82/00/59/886820059.db2.gz OTCBYVQSYNFFBZ-KRWDZBQOSA-N 0 0 388.512 3.760 10 0 GHAERN O=C(NCCc1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000042995331 886826068 /nfs/dbraw/zinc/82/60/68/886826068.db2.gz WPKKENDJIBBUQT-INIZCTEOSA-N 0 0 383.883 3.514 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000125410230 886864901 /nfs/dbraw/zinc/86/49/01/886864901.db2.gz UNWXKSWJCPJNER-IFMALSPDSA-N 0 0 396.535 3.552 10 0 GHAERN CCOc1c(Cl)cc(C=CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1OC ZINC000125605519 886884321 /nfs/dbraw/zinc/88/43/21/886884321.db2.gz DSOPMNNBKZOXHA-SNAWJCMRSA-N 0 0 389.883 3.890 10 0 GHAERN O=C(c1ccccc1Oc1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000126356096 886960999 /nfs/dbraw/zinc/96/09/99/886960999.db2.gz TXQIMHYNYUYHRS-UHFFFAOYSA-N 0 0 391.471 3.688 10 0 GHAERN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126436545 886970173 /nfs/dbraw/zinc/97/01/73/886970173.db2.gz JKHCEKGDPULPIK-SFHVURJKSA-N 0 0 398.551 3.660 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000127852267 887110619 /nfs/dbraw/zinc/11/06/19/887110619.db2.gz FWHJLVHHENOBJS-FQEVSTJZSA-N 0 0 394.523 3.658 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000128052476 887142380 /nfs/dbraw/zinc/14/23/80/887142380.db2.gz XJZJSFUCTORKFW-QGZVFWFLSA-N 0 0 389.496 3.896 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3C)CC2)nc1 ZINC000129598328 887321538 /nfs/dbraw/zinc/32/15/38/887321538.db2.gz QHVBVFHEFUSEDD-WOJBJXKFSA-N 0 0 377.488 3.679 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000105114969 887654101 /nfs/dbraw/zinc/65/41/01/887654101.db2.gz DZORUDPEKSIYLQ-UHFFFAOYSA-N 0 0 395.551 3.877 10 0 GHAERN O=C(CCCOc1ccccc1Cl)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000050630273 887692626 /nfs/dbraw/zinc/69/26/26/887692626.db2.gz YCIHOIBLNPWHFE-UHFFFAOYSA-N 0 0 383.835 3.888 10 0 GHAERN O=C(c1cccc(-c2nc[nH]n2)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000132874937 887708469 /nfs/dbraw/zinc/70/84/69/887708469.db2.gz MJUPRLNUCSPSPZ-LJQANCHMSA-N 0 0 398.470 3.882 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@](=O)Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000132944796 887714681 /nfs/dbraw/zinc/71/46/81/887714681.db2.gz RXIJPDDUJZTFJJ-RSNKEIGGSA-N 0 0 396.469 3.522 10 0 GHAERN C[C@H](NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccncc1 ZINC000052499133 887845110 /nfs/dbraw/zinc/84/51/10/887845110.db2.gz VPAXUMPVSORQJW-HNNXBMFYSA-N 0 0 381.455 3.946 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000134299032 887850266 /nfs/dbraw/zinc/85/02/66/887850266.db2.gz AMRBJIIVXMFQEN-KUHUBIRLSA-N 0 0 399.878 3.919 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134331372 887860905 /nfs/dbraw/zinc/86/09/05/887860905.db2.gz GRWGBCFZWKSKOP-TUFLPTIASA-N 0 0 381.520 3.619 10 0 GHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000054562388 888015332 /nfs/dbraw/zinc/01/53/32/888015332.db2.gz AINAVDCRQIJPDP-LJQANCHMSA-N 0 0 375.476 3.773 10 0 GHAERN O=C(c1ccncc1I)N1CCCC[C@@H]1c1nccs1 ZINC000135237106 888225933 /nfs/dbraw/zinc/22/59/33/888225933.db2.gz PYEIIFXALMARGO-GFCCVEGCSA-N 0 0 399.257 3.510 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(NC3CC3)s2)cc1 ZINC000053570526 888234506 /nfs/dbraw/zinc/23/45/06/888234506.db2.gz RBVGBJMEVWJPHG-OAHLLOKOSA-N 0 0 390.534 3.577 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000056488658 888363436 /nfs/dbraw/zinc/36/34/36/888363436.db2.gz WZHBSPGIJMLPMF-GOSISDBHSA-N 0 0 394.519 3.507 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@@H](c2cccs2)C1 ZINC000137857174 888373901 /nfs/dbraw/zinc/37/39/01/888373901.db2.gz HYQQYHHDNOMPTD-OAHLLOKOSA-N 0 0 377.535 3.562 10 0 GHAERN CC[C@@H](NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000057243517 888392636 /nfs/dbraw/zinc/39/26/36/888392636.db2.gz FAKZXWJHXZPEHY-QGZVFWFLSA-N 0 0 389.496 3.942 10 0 GHAERN COCCCCN(Cc1ccccc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000057456443 888405424 /nfs/dbraw/zinc/40/54/24/888405424.db2.gz IIBFIZXQCXFYJX-FQEVSTJZSA-N 0 0 398.528 3.945 10 0 GHAERN Cn1c2ccc(NC(=O)[C@H](c3ccccc3)N3CCc4ccccc43)cc2oc1=O ZINC000105373394 888424748 /nfs/dbraw/zinc/42/47/48/888424748.db2.gz WQAOGIAIJIVJPB-QFIPXVFZSA-N 0 0 399.450 3.874 10 0 GHAERN CC(C)CCOC1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000193886995 888533991 /nfs/dbraw/zinc/53/39/91/888533991.db2.gz BMIQLIGMPUTQOM-GOSISDBHSA-N 0 0 376.522 3.543 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)CC(=O)N4C)C2)cc1 ZINC000194137623 888559707 /nfs/dbraw/zinc/55/97/07/888559707.db2.gz SMNNLKPXTHNHAI-PBHICJAKSA-N 0 0 379.460 3.624 10 0 GHAERN Cc1c(NC(=O)[C@@H]2CCCc3cccnc32)cccc1C(=O)N1CCSCC1 ZINC000194196918 888564719 /nfs/dbraw/zinc/56/47/19/888564719.db2.gz VOXNLZNVFANEBB-GOSISDBHSA-N 0 0 395.528 3.638 10 0 GHAERN O=C(Nc1ccc2c(c1)CCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000195418260 888663196 /nfs/dbraw/zinc/66/31/96/888663196.db2.gz QZCZHRLCTHETMF-UHFFFAOYSA-N 0 0 382.435 3.642 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)CC2 ZINC000195258229 888674467 /nfs/dbraw/zinc/67/44/67/888674467.db2.gz LZUVUCBRCZAYBC-HYJLXUOHSA-N 0 0 378.398 3.565 10 0 GHAERN CN(C(=O)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1 ZINC000244307699 888734608 /nfs/dbraw/zinc/73/46/08/888734608.db2.gz XBMSLRCOTPIOAV-UHFFFAOYSA-N 0 0 375.472 3.612 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000245404952 888745715 /nfs/dbraw/zinc/74/57/15/888745715.db2.gz RENJOMVJFPLXHU-RTFZILSDSA-N 0 0 390.483 3.939 10 0 GHAERN CCN1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584361 888998012 /nfs/dbraw/zinc/99/80/12/888998012.db2.gz ITNAYUCXGAZALR-FHLIZLRMSA-N 0 0 390.890 3.505 10 0 GHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000245636609 889123464 /nfs/dbraw/zinc/12/34/64/889123464.db2.gz VZYFQOGQKUXQHL-KSZLIROESA-N 0 0 381.476 3.957 10 0 GHAERN CN1CC[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663945 889186775 /nfs/dbraw/zinc/18/67/75/889186775.db2.gz AOFKUSRYBITJGP-DENIHFKCSA-N 0 0 398.457 3.725 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1cc2ccccc2s1 ZINC000245704295 889320018 /nfs/dbraw/zinc/32/00/18/889320018.db2.gz WTFCIEVRSNJIFI-ZSZQSSIHSA-N 0 0 398.532 3.851 10 0 GHAERN CCOc1ccc(-c2nc(CN3CCOC[C@@H]3C[C@@H](O)c3ccco3)co2)cc1 ZINC000245914371 890006670 /nfs/dbraw/zinc/00/66/70/890006670.db2.gz FDDSFHPCORWUJN-AZUAARDMSA-N 0 0 398.459 3.658 10 0 GHAERN C[C@H](CC(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1)NC(=O)C1CCCC1 ZINC000246046180 890236491 /nfs/dbraw/zinc/23/64/91/890236491.db2.gz PLRPLHPOVDWUPU-NZSAHSFTSA-N 0 0 390.524 3.559 10 0 GHAERN Cc1nn(C)c(=O)c(-c2nc(CN3C[C@H](C)[C@H]3c3ccccc3)cs2)c1C ZINC000246126797 890428026 /nfs/dbraw/zinc/42/80/26/890428026.db2.gz DWLHJFBYHIMWNK-DJJJIMSYSA-N 0 0 380.517 3.714 10 0 GHAERN CO[C@@H]1CC[C@@H]2OCCN(Cc3c(Cl)n(C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246194440 890650384 /nfs/dbraw/zinc/65/03/84/890650384.db2.gz LKHKBAKTTJZNAY-NXHRZFHOSA-N 0 0 375.900 3.509 10 0 GHAERN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000246220146 890752876 /nfs/dbraw/zinc/75/28/76/890752876.db2.gz YWOIXOSBKIFMSU-PNCHPQGNSA-N 0 0 392.499 3.800 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000246281351 890932260 /nfs/dbraw/zinc/93/22/60/890932260.db2.gz TTYBXSMOAFLNGX-CEXWTWQISA-N 0 0 397.523 3.534 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067047744 891140929 /nfs/dbraw/zinc/14/09/29/891140929.db2.gz NZDCDZAISIPBIM-SFHVURJKSA-N 0 0 386.517 3.840 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccncc1 ZINC000067997640 891166869 /nfs/dbraw/zinc/16/68/69/891166869.db2.gz WDCWGMTYJXPRCH-BXUZGUMPSA-N 0 0 378.259 3.619 10 0 GHAERN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000246618092 891292869 /nfs/dbraw/zinc/29/28/69/891292869.db2.gz VRMGHODVMVLLJG-PWRODBHTSA-N 0 0 393.874 3.782 10 0 GHAERN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246735576 891302726 /nfs/dbraw/zinc/30/27/26/891302726.db2.gz UOKUFTKCTASEKC-IZZBFERCSA-N 0 0 384.476 3.797 10 0 GHAERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000246757939 891304090 /nfs/dbraw/zinc/30/40/90/891304090.db2.gz VWRZMKNYBHPBDG-HBUWYVDXSA-N 0 0 398.438 3.748 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246751585 891304640 /nfs/dbraw/zinc/30/46/40/891304640.db2.gz OOGWPPHQOSYEPY-FSPWUOQZSA-N 0 0 387.505 3.585 10 0 GHAERN O=C(CN1CCS[C@H]2COCC[C@H]21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000247330118 891368068 /nfs/dbraw/zinc/36/80/68/891368068.db2.gz WVTSNZAMJSDJNI-KGLIPLIRSA-N 0 0 394.846 3.504 10 0 GHAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000248636322 891450384 /nfs/dbraw/zinc/45/03/84/891450384.db2.gz KJRGYKXICVHRAE-BDTNDASRSA-N 0 0 396.462 3.548 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)c1nccs1 ZINC000248651670 891451836 /nfs/dbraw/zinc/45/18/36/891451836.db2.gz VBGJJALESNWEFY-KBRIMQKVSA-N 0 0 377.485 3.683 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c2ccc(F)cc2C1 ZINC000248777203 891468091 /nfs/dbraw/zinc/46/80/91/891468091.db2.gz ZDZUIKAHBHWTDM-FQZPYLGXSA-N 0 0 375.488 3.743 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253554939 891880225 /nfs/dbraw/zinc/88/02/25/891880225.db2.gz WRAZLMIXQKGFNU-CGTJXYLNSA-N 0 0 391.471 3.675 10 0 GHAERN CN(C(=O)NCC1(c2ccccc2)CCCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152042458 891935351 /nfs/dbraw/zinc/93/53/51/891935351.db2.gz LNTVIXFAQQUPOL-FQEVSTJZSA-N 0 0 393.535 3.599 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)Cc2cc[nH]c(=O)c2Br)c2ccccc21 ZINC000332968186 893386482 /nfs/dbraw/zinc/38/64/82/893386482.db2.gz SDCQFVWDJLBZEC-NHYWBVRUSA-N 0 0 375.266 3.847 10 0 GHAERN O=C(NC1CCC(C(=O)OCc2nnc(-c3ccccc3)o2)CC1)C1CCCC1 ZINC000101712334 897954957 /nfs/dbraw/zinc/95/49/57/897954957.db2.gz FOHTYODYZKZLMM-UHFFFAOYSA-N 0 0 397.475 3.645 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(C)c(NC(C)=O)c3)C2)c1 ZINC000102530395 898012506 /nfs/dbraw/zinc/01/25/06/898012506.db2.gz SKGWMUAGLRVRDO-QGZVFWFLSA-N 0 0 396.491 3.610 10 0 GHAERN O=C(NCCCCOCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104345260 898140945 /nfs/dbraw/zinc/14/09/45/898140945.db2.gz NKUQKOUHDKINKP-NRFANRHFSA-N 0 0 395.503 3.796 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000105190021 898199500 /nfs/dbraw/zinc/19/95/00/898199500.db2.gz LUUCACBLOJCEPJ-UHFFFAOYSA-N 0 0 381.455 3.571 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000105218101 898202846 /nfs/dbraw/zinc/20/28/46/898202846.db2.gz QMCBTNRKYIHUTR-IBGZPJMESA-N 0 0 396.535 3.581 10 0 GHAERN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)C[C@H]4CCCO4)cc3)o2)cc1 ZINC000105599163 898214790 /nfs/dbraw/zinc/21/47/90/898214790.db2.gz YQOFYKIRSOSYOS-LJQANCHMSA-N 0 0 377.444 3.963 10 0 GHAERN Cc1nc(-c2ccccc2NC(=O)N2CCC[C@H](NC(=O)C(C)C)C2)cs1 ZINC000333033063 899908128 /nfs/dbraw/zinc/90/81/28/899908128.db2.gz MSUFOAVEYFNXFS-HNNXBMFYSA-N 0 0 386.521 3.887 10 0 GHAERN O=C(NC1CCC2(CC2)CC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12 ZINC000333494507 902133578 /nfs/dbraw/zinc/13/35/78/902133578.db2.gz UZNQGMUVOZYYKP-GOSISDBHSA-N 0 0 383.517 3.522 10 0 GHAERN C[C@@H]1OCC[C@@]12CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CCO2 ZINC000333505070 902141697 /nfs/dbraw/zinc/14/16/97/902141697.db2.gz KXDATJLHEMMPII-QOFYIIDASA-N 0 0 399.318 3.686 10 0 GHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000333513435 902149651 /nfs/dbraw/zinc/14/96/51/902149651.db2.gz FOXBEPVUMAIYKR-RDJZCZTQSA-N 0 0 381.480 3.538 10 0 GHAERN CC(C)c1cc(Br)ccc1NC(=O)N1CCN(C(=O)C2CC2)C1 ZINC000333604025 902217213 /nfs/dbraw/zinc/21/72/13/902217213.db2.gz WWSUJMPVBIFWAY-UHFFFAOYSA-N 0 0 380.286 3.616 10 0 GHAERN CC1(C)CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC[S@@]1=O ZINC000333616516 902225814 /nfs/dbraw/zinc/22/58/14/902225814.db2.gz OYELHDSSJVWFDZ-SOKVYYICSA-N 0 0 390.549 3.766 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333625612 902231759 /nfs/dbraw/zinc/23/17/59/902231759.db2.gz AKJQCYRALFEXEG-SQGPQFPESA-N 0 0 376.460 3.650 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N3CC[C@@H](O)CC34CCC4)c2o1 ZINC000333818465 902348116 /nfs/dbraw/zinc/34/81/16/902348116.db2.gz HBHZNSRGHCCXID-GFCCVEGCSA-N 0 0 394.269 3.810 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000181026433 906902282 /nfs/dbraw/zinc/90/22/82/906902282.db2.gz ZUVOALPOIFEACL-GDBMZVCRSA-N 0 0 393.896 3.793 10 0 GHAERN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181166288 906930568 /nfs/dbraw/zinc/93/05/68/906930568.db2.gz AQXOULLOSPYUEA-OAHLLOKOSA-N 0 0 385.468 3.667 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cc2)n1 ZINC000183078694 907323486 /nfs/dbraw/zinc/32/34/86/907323486.db2.gz ZJKSBGGULDMPJA-OAHLLOKOSA-N 0 0 381.440 3.737 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183084820 907325894 /nfs/dbraw/zinc/32/58/94/907325894.db2.gz ODYDRCATFZTJLN-NSHDSACASA-N 0 0 386.200 3.605 10 0 GHAERN O=C(Nc1ccc(Br)c(Cl)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183318545 907366628 /nfs/dbraw/zinc/36/66/28/907366628.db2.gz QLHGZRDTFDPSGR-LBPRGKRZSA-N 0 0 384.665 3.980 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cc3c(cc1Cl)OCO3)C2 ZINC000183431063 907386697 /nfs/dbraw/zinc/38/66/97/907386697.db2.gz OVIZTFDKAWTAAT-UHFFFAOYSA-N 0 0 376.844 3.516 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2nccn2CCc2ccccc2)cs1 ZINC000187024673 908022199 /nfs/dbraw/zinc/02/21/99/908022199.db2.gz ALHVTPJYILTSBX-IBGZPJMESA-N 0 0 395.532 3.937 10 0 GHAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188666526 908236929 /nfs/dbraw/zinc/23/69/29/908236929.db2.gz FGUIIMRIOQGRFC-INIZCTEOSA-N 0 0 388.493 3.531 10 0 GHAERN CCCCc1ccc(C(=O)CCC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000189121395 908286321 /nfs/dbraw/zinc/28/63/21/908286321.db2.gz HBKJHZFBZOKXDG-RBUKOAKNSA-N 0 0 399.491 3.672 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)N[C@H](c2nccs2)c2ccccc2)cs1 ZINC000189835335 908379864 /nfs/dbraw/zinc/37/98/64/908379864.db2.gz RZJQOSAZDJAHQA-HKUYNNGSSA-N 0 0 398.557 3.951 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCCOc2cc(C)ccc2C)C1 ZINC000190007524 908400953 /nfs/dbraw/zinc/40/09/53/908400953.db2.gz ITXIJGJICKKFRE-ROUUACIJSA-N 0 0 387.480 3.533 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000190013247 908402474 /nfs/dbraw/zinc/40/24/74/908402474.db2.gz VAGVQGFGZVTCFU-HIFRSBDPSA-N 0 0 391.880 3.777 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)C1 ZINC000190114193 908429730 /nfs/dbraw/zinc/42/97/30/908429730.db2.gz ZHHFGKPQZKQWMX-OCCSQVGLSA-N 0 0 384.358 3.699 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3C[C@H](OC)C[C@H]3c3nc(C)no3)cc21 ZINC000190130647 908434337 /nfs/dbraw/zinc/43/43/37/908434337.db2.gz QFEIPXKCNRXDIQ-AEFFLSMTSA-N 0 0 383.452 3.737 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000190132155 908434366 /nfs/dbraw/zinc/43/43/66/908434366.db2.gz HUJYUSSGAVGZEW-JSGCOSHPSA-N 0 0 384.358 3.699 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)cc(C)c1Br ZINC000192418941 908784525 /nfs/dbraw/zinc/78/45/25/908784525.db2.gz QCBGNCXDPOMNMA-ZDUSSCGKSA-N 0 0 377.286 3.821 10 0 GHAERN CCS[C@@H](C(=O)OCC[C@@H]1CCCCN1C(=O)c1cccn1C)C(C)C ZINC000103816521 911201750 /nfs/dbraw/zinc/20/17/50/911201750.db2.gz RHMOCABNICSSTE-FUHWJXTLSA-N 0 0 380.554 3.731 10 0 GHAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000368398825 922649001 /nfs/dbraw/zinc/64/90/01/922649001.db2.gz FYGBMXIKNBDDKU-INIZCTEOSA-N 0 0 375.476 3.705 10 0 GHAERN CCO[C@H](Cc1ccccc1)N1CCN(C[C@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000022859916 206298720 /nfs/dbraw/zinc/29/87/20/206298720.db2.gz BAAVGUJEGRPVRG-WMZHIEFXSA-N 0 0 398.522 3.867 10 0 GHAERN CC[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4c(=O)o3)c2C(N)=O)C1 ZINC000000996403 206340765 /nfs/dbraw/zinc/34/07/65/206340765.db2.gz VOOICKOQIONWLD-LLVKDONJSA-N 0 0 396.468 3.721 10 0 GHAERN Cc1ccc(-n2c(SCC(N)=O)nc3c(sc4cccc(F)c43)c2=O)cc1 ZINC000004175826 206505926 /nfs/dbraw/zinc/50/59/26/206505926.db2.gz SRUVDXZKXBUBQI-UHFFFAOYSA-N 0 0 399.472 3.625 10 0 GHAERN C=C1C(NCc2cccc(OC)c2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672045 207053871 /nfs/dbraw/zinc/05/38/71/207053871.db2.gz MPTZKIXLLJVMQS-UHFFFAOYSA-N 0 0 376.865 3.611 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000015920635 207067716 /nfs/dbraw/zinc/06/77/16/207067716.db2.gz DKQRIFCBFDWQMC-QFIPXVFZSA-N 0 0 391.471 3.975 10 0 GHAERN C[C@H](Nc1cc(S(N)(=O)=O)ccc1Cl)c1ccc(Br)s1 ZINC000038003197 207249968 /nfs/dbraw/zinc/24/99/68/207249968.db2.gz WIRUNNOCOJKHRX-ZETCQYMHSA-N 0 0 395.731 3.985 10 0 GHAERN COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2ccc(C)cc2C)C(C)C)c1 ZINC000030679369 207373013 /nfs/dbraw/zinc/37/30/13/207373013.db2.gz WOYHZNMIAXQWAG-HXUWFJFHSA-N 0 0 384.476 3.714 10 0 GHAERN CC(C)(C)C(=O)N1CCN(Cc2noc(-c3cccc4ccccc43)n2)CC1 ZINC000034904768 207479112 /nfs/dbraw/zinc/47/91/12/207479112.db2.gz QBRFZLIXFZHBMR-UHFFFAOYSA-N 0 0 378.476 3.580 10 0 GHAERN CCOc1cccc2sc(NC(=O)CCc3nc4ccccc4[nH]c3=O)nc21 ZINC000040839318 207612092 /nfs/dbraw/zinc/61/20/92/207612092.db2.gz LUWKBQQDMQUPAQ-UHFFFAOYSA-N 0 0 394.456 3.503 10 0 GHAERN CCOc1c(=O)c2c(OC)cc(OC)cc2oc1-c1ccc(OC)c(OC)c1 ZINC000085341117 208099493 /nfs/dbraw/zinc/09/94/93/208099493.db2.gz VJCROSPGEGNPOB-UHFFFAOYSA-N 0 0 386.400 3.893 10 0 GHAERN CC(=O)N(CC(=O)OC(C)(C)C)c1ccc(C(=O)OCc2ccccc2)cc1 ZINC000095081289 208151962 /nfs/dbraw/zinc/15/19/62/208151962.db2.gz XJXQPYJLGAFGQA-UHFFFAOYSA-N 0 0 383.444 3.738 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2nc1NC1CC1 ZINC000095085886 208156082 /nfs/dbraw/zinc/15/60/82/208156082.db2.gz XZDWPPLYYAUOAR-HNNXBMFYSA-N 0 0 384.480 3.982 10 0 GHAERN CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1Br ZINC000096286837 208302708 /nfs/dbraw/zinc/30/27/08/208302708.db2.gz VRUMFDSXWAKSJC-UHFFFAOYSA-N 0 0 387.233 3.633 10 0 GHAERN O=C(Nc1ccc(F)cc1)[C@H]1CN(C(=O)c2ccncc2)CC12CCCCC2 ZINC000096309932 208304068 /nfs/dbraw/zinc/30/40/68/208304068.db2.gz OZSWDXFWAYTFTC-LJQANCHMSA-N 0 0 381.451 3.882 10 0 GHAERN O=C(NCc1ccccc1F)[C@@H]1c2ccccc2CCN1C(=O)c1ccccc1 ZINC000096396626 208314807 /nfs/dbraw/zinc/31/48/07/208314807.db2.gz IYOCUCNEVXWNHU-QFIPXVFZSA-N 0 0 388.442 3.882 10 0 GHAERN NC(=S)Nc1nc(-c2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000217026781 208826422 /nfs/dbraw/zinc/82/64/22/208826422.db2.gz RHTABLFOOIMZNA-UHFFFAOYSA-N 0 0 377.189 3.580 10 0 GHAERN COc1cccc(N2CCN(Cc3c(C)nn(-c4ccc(F)cc4)c3C)CC2)c1 ZINC000058538132 136155474 /nfs/dbraw/zinc/15/54/74/136155474.db2.gz STSDFTHBTSWXTG-UHFFFAOYSA-N 0 0 394.494 3.959 10 0 GHAERN Cc1nc(-c2cccnc2N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)no1 ZINC000065227549 136160555 /nfs/dbraw/zinc/16/05/55/136160555.db2.gz DRTUPAZIZJBPNS-HNNXBMFYSA-N 0 0 391.475 3.534 10 0 GHAERN CON1CC=Cc2cc(OCCCCc3nnnn3C3CCCCC3)ccc21 ZINC000071973410 136166928 /nfs/dbraw/zinc/16/69/28/136166928.db2.gz RZOABYWKNIXNHV-UHFFFAOYSA-N 0 0 383.496 3.975 10 0 GHAERN CCOC(=O)C(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005709183 570452130 /nfs/dbraw/zinc/45/21/30/570452130.db2.gz WFFAMPKXTMQPSD-WYIZHRONSA-N 0 0 388.504 3.993 10 0 GHAERN Cc1ccc(C2=NN(C(=O)CN(C)C(=O)C(C)C)[C@H](c3ccco3)C2)cc1C ZINC000035961254 570489035 /nfs/dbraw/zinc/48/90/35/570489035.db2.gz KPMASLQACCGARI-IBGZPJMESA-N 0 0 381.476 3.689 10 0 GHAERN CCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1ccccc1OC ZINC000036051798 570523046 /nfs/dbraw/zinc/52/30/46/570523046.db2.gz ZWPIHQXYVBHNGE-LEWJYISDSA-N 0 0 394.515 3.776 10 0 GHAERN COc1ccc(OC[C@@H](O)CN(Cc2cccn2C)Cc2ccc(F)cc2)cc1 ZINC000036099079 570537010 /nfs/dbraw/zinc/53/70/10/570537010.db2.gz ZHFPGSWMDSFSCH-NRFANRHFSA-N 0 0 398.478 3.615 10 0 GHAERN Cc1cc2c(cc(C(=O)NCCc3ccccn3)n2CCOc2ccccc2)o1 ZINC000006714658 570547702 /nfs/dbraw/zinc/54/77/02/570547702.db2.gz QSESEHNFIKPQPF-UHFFFAOYSA-N 0 0 389.455 3.989 10 0 GHAERN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)c3ccccc3)cc2)CC1=O ZINC000010461910 570571295 /nfs/dbraw/zinc/57/12/95/570571295.db2.gz IGTSDBDDAPGEEG-SFHVURJKSA-N 0 0 393.487 3.550 10 0 GHAERN O=C(NC1CCCCC1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000032999100 570589601 /nfs/dbraw/zinc/58/96/01/570589601.db2.gz ZAEJIYGRIOORCD-UHFFFAOYSA-N 0 0 395.507 3.778 10 0 GHAERN CC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000065149966 570711517 /nfs/dbraw/zinc/71/15/17/570711517.db2.gz IFRTUVAQGIBWSA-LLVKDONJSA-N 0 0 384.436 3.794 10 0 GHAERN COc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O ZINC000014648223 570907855 /nfs/dbraw/zinc/90/78/55/570907855.db2.gz IPQQRODECSTJDH-SFHVURJKSA-N 0 0 386.400 3.733 10 0 biogenic GHAERN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3(C)C)CC2)cc1 ZINC000102919140 837408277 /nfs/dbraw/zinc/40/82/77/837408277.db2.gz NMMSJZVJRZPEIW-UHFFFAOYSA-N 0 0 392.565 3.612 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000105018088 837499243 /nfs/dbraw/zinc/49/92/43/837499243.db2.gz AVSOFBWAGNVGQZ-SFHVURJKSA-N 0 0 380.492 3.887 10 0 GHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1ccnn1Cc1ccc(F)cc1 ZINC000588600490 834552572 /nfs/dbraw/zinc/55/25/72/834552572.db2.gz KTRSHZRZARDKTC-BENRWUELSA-N 0 0 375.400 3.622 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)Nc1ccc3c(c1)CC(=O)N3C)O[C@H](C)C2 ZINC000588610893 834728597 /nfs/dbraw/zinc/72/85/97/834728597.db2.gz DPMHKEVELHCBJY-BMWLXYDHSA-N 0 0 392.455 3.580 10 0 GHAERN CC(C)[C@@H](NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1)c1ccccc1 ZINC000198186076 834851923 /nfs/dbraw/zinc/85/19/23/834851923.db2.gz NRXBKHUMRGTGNV-HSZRJFAPSA-N 0 0 399.579 3.615 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)Nc3cc(Cl)cc(Cl)c3)CCO2)n1 ZINC000111701946 834981072 /nfs/dbraw/zinc/98/10/72/834981072.db2.gz JYDOUUXVVAVNGK-INIZCTEOSA-N 0 0 383.279 3.740 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(c3nc4ccccc4s3)CC2)no1 ZINC000329410604 834993930 /nfs/dbraw/zinc/99/39/30/834993930.db2.gz YAGXRTJAGHMUQN-INIZCTEOSA-N 0 0 397.504 3.568 10 0 GHAERN CC(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)c1 ZINC000157644848 835013487 /nfs/dbraw/zinc/01/34/87/835013487.db2.gz OYTHMLOETGDXES-PIGZYNQJSA-N 0 0 391.265 3.582 10 0 GHAERN Cc1ccc(C2(C(=O)NC3CCN(c4ccc(C)cn4)CC3)CCOCC2)cc1 ZINC000157711126 835062285 /nfs/dbraw/zinc/06/22/85/835062285.db2.gz VOHZNMXZXCSEAR-UHFFFAOYSA-N 0 0 393.531 3.532 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@H]1CCOc2c(Cl)cccc21 ZINC000246894874 835125613 /nfs/dbraw/zinc/12/56/13/835125613.db2.gz VJFIMDTVTWNJKH-MRAWALMUSA-N 0 0 382.913 3.518 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)Nc1cccc(-c2ncon2)c1 ZINC000101525263 835306844 /nfs/dbraw/zinc/30/68/44/835306844.db2.gz UQPKYVMFRGXSAG-UHFFFAOYSA-N 0 0 381.417 3.810 10 0 GHAERN C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000158520395 835418702 /nfs/dbraw/zinc/41/87/02/835418702.db2.gz MNHVDWZSTQOHRS-CRAIPNDOSA-N 0 0 398.898 3.896 10 0 GHAERN O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC(n2cncn2)CC1 ZINC000101750731 835552389 /nfs/dbraw/zinc/55/23/89/835552389.db2.gz YMMWCVMJGXQZKB-UHFFFAOYSA-N 0 0 383.496 3.996 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)sc1C ZINC000329668606 835580909 /nfs/dbraw/zinc/58/09/09/835580909.db2.gz RBWHKJVEMKBZTK-SJORKVTESA-N 0 0 391.581 3.893 10 0 GHAERN Cc1ccc2oc(N3CCN(C(=O)N[C@H]4CCCc5occc54)CC3)nc2c1 ZINC000112388316 835703785 /nfs/dbraw/zinc/70/37/85/835703785.db2.gz KMALXXRCLDOWTN-INIZCTEOSA-N 0 0 380.448 3.638 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C[C@@H]1C ZINC000187872501 835737387 /nfs/dbraw/zinc/73/73/87/835737387.db2.gz YXNQONWEEYLIDD-LRDDRELGSA-N 0 0 398.297 3.508 10 0 GHAERN O=C(c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)N1CCn2ccnc2C1 ZINC000329718138 835763362 /nfs/dbraw/zinc/76/33/62/835763362.db2.gz YIRREBXWCCFHBW-UHFFFAOYSA-N 0 0 395.894 3.647 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CCO2)o1 ZINC000159223671 835775693 /nfs/dbraw/zinc/77/56/93/835775693.db2.gz PPFDLEWBQMEQKV-FOIQADDNSA-N 0 0 397.475 3.781 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C[C@@H]1C ZINC000188015107 835814711 /nfs/dbraw/zinc/81/47/11/835814711.db2.gz RFRNJMUJOMWTOU-AAEUAGOBSA-N 0 0 394.265 3.775 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000246071815 835961149 /nfs/dbraw/zinc/96/11/49/835961149.db2.gz YDJSCYFARHPJDC-KSZLIROESA-N 0 0 379.456 3.980 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000332751095 836536804 /nfs/dbraw/zinc/53/68/04/836536804.db2.gz AWGXXNQPTVSARM-UYAOXDASSA-N 0 0 383.513 3.778 10 0 GHAERN CCO[C@H]1C[C@H](NC(=O)NCC2(c3ccc(F)cc3)CCC2)C12CCOCC2 ZINC000185977793 836822142 /nfs/dbraw/zinc/82/21/42/836822142.db2.gz KEVJJSCQGCLAOE-OALUTQOASA-N 0 0 390.499 3.521 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@@H](C)c3cccc(Cl)c3)C2)nn1 ZINC000332892259 836893698 /nfs/dbraw/zinc/89/36/98/836893698.db2.gz GJQFKOGTWNBCMU-MAUKXSAKSA-N 0 0 387.915 3.810 10 0 GHAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103315379 837302565 /nfs/dbraw/zinc/30/25/65/837302565.db2.gz CQPSLCLSAVVWKE-NRFANRHFSA-N 0 0 386.455 3.885 10 0 GHAERN c1ccc2c(c1)sc1ncnc(N3CCC[C@H](c4nnc5n4CCC5)C3)c21 ZINC000408422651 844278490 /nfs/dbraw/zinc/27/84/90/844278490.db2.gz JKXVNIFUUREPLZ-ZDUSSCGKSA-N 0 0 376.489 3.766 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c1Br ZINC000408055818 838085465 /nfs/dbraw/zinc/08/54/65/838085465.db2.gz AUPHXTIVGKLDNU-SNUQEOBHSA-N 0 0 398.345 3.841 10 0 GHAERN CC(C)(C)c1cc(NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n(-c2ncccn2)n1 ZINC000333214721 844303638 /nfs/dbraw/zinc/30/36/38/844303638.db2.gz UQADTORYVCWIEZ-IGMOGCDKSA-N 0 0 394.523 3.860 10 0 GHAERN Cn1c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@H]3O)cc2nc1C(F)F ZINC000407965529 838270736 /nfs/dbraw/zinc/27/07/36/838270736.db2.gz VXZNMTIIEUAKEP-UNEWFSDZSA-N 0 0 377.435 3.667 10 0 GHAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c(Cl)c1 ZINC000408029704 838710832 /nfs/dbraw/zinc/71/08/32/838710832.db2.gz XZXXFKVEIODNGN-QGZVFWFLSA-N 0 0 393.940 3.787 10 0 GHAERN CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183222193 838916487 /nfs/dbraw/zinc/91/64/87/838916487.db2.gz ZWLAMLXNDXQSIQ-BRWVUGGUSA-N 0 0 391.585 3.915 10 0 GHAERN O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000183261479 838920215 /nfs/dbraw/zinc/92/02/15/838920215.db2.gz BBFWPMZSCCSTPI-JRUMVTRASA-N 0 0 386.467 3.677 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1=O ZINC000246483878 844384237 /nfs/dbraw/zinc/38/42/37/844384237.db2.gz YOCDCBCVIXXYHO-XLBJILASSA-N 0 0 386.536 3.554 10 0 GHAERN CCc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O ZINC000303655088 839085492 /nfs/dbraw/zinc/08/54/92/839085492.db2.gz VCOVNUPUHFVHIK-FUHWJXTLSA-N 0 0 383.517 3.812 10 0 GHAERN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCCC[C@H]1c1nccs1 ZINC000115367187 839125629 /nfs/dbraw/zinc/12/56/29/839125629.db2.gz XWGBLKLNPDVZPI-CVEARBPZSA-N 0 0 389.908 3.903 10 0 GHAERN Cc1csc(N(C(=O)[C@H]2CCCN(c3ncccn3)C2)c2ccccc2)n1 ZINC000027596454 839406824 /nfs/dbraw/zinc/40/68/24/839406824.db2.gz CHVOHVXYXLFHSN-INIZCTEOSA-N 0 0 379.489 3.823 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000117032366 839538778 /nfs/dbraw/zinc/53/87/78/839538778.db2.gz ZNGLAYVZKYMHDQ-CXAGYDPISA-N 0 0 375.542 3.756 10 0 GHAERN CC(C)(C)C[C@@H](NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F ZINC000588394546 840443044 /nfs/dbraw/zinc/44/30/44/840443044.db2.gz XECITXPXDGIZKW-JKEYDSJLSA-N 0 0 392.443 3.555 10 0 GHAERN Cc1cncn1C1CCN(S(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000408464509 844540450 /nfs/dbraw/zinc/54/04/50/844540450.db2.gz FELAFISVUJGZQY-UHFFFAOYSA-N 0 0 388.320 3.833 10 0 GHAERN CCOc1ccc(NC(=O)c2ccc(NC(=O)/C=C\c3ccncn3)cc2)cc1 ZINC000588403019 840889349 /nfs/dbraw/zinc/88/93/49/840889349.db2.gz QNKQRHPIYSOXQG-XFXZXTDPSA-N 0 0 388.427 3.780 10 0 GHAERN O=C(NCc1ccccc1Br)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408147744 841156101 /nfs/dbraw/zinc/15/61/01/841156101.db2.gz IBTYUFOIBBCGML-USXIJHARSA-N 0 0 381.314 3.674 10 0 GHAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408149422 841177035 /nfs/dbraw/zinc/17/70/35/841177035.db2.gz QGZLMKGTZKRFDD-XKQJLSEDSA-N 0 0 399.304 3.813 10 0 GHAERN CCOC(=O)[C@@H](OC(=O)/C=C\c1ccnc(Cl)c1)c1ccc(F)c(F)c1 ZINC000588411646 841372564 /nfs/dbraw/zinc/37/25/64/841372564.db2.gz KEKQDEMEVNEZIK-SVEBXFOSSA-N 0 0 381.762 3.874 10 0 GHAERN Cc1cc2c(cc1NS(=O)(=O)/C=C\c1ccc(Br)cc1)OCO2 ZINC000588418083 841804953 /nfs/dbraw/zinc/80/49/53/841804953.db2.gz AEGPHCFPVYVDOR-SREVYHEPSA-N 0 0 396.262 3.899 10 0 GHAERN C[C@H](NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000246517851 841823706 /nfs/dbraw/zinc/82/37/06/841823706.db2.gz KGJRCWGUYHRJCJ-IARIHHJXSA-N 0 0 382.501 3.653 10 0 GHAERN C[C@@H]1C[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC(=O)N1 ZINC000408196694 842432799 /nfs/dbraw/zinc/43/27/99/842432799.db2.gz CCFYZBVCEZNFCX-YPMHNXCESA-N 0 0 391.924 3.570 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc(-c2cccs2)n1 ZINC000588434706 842521559 /nfs/dbraw/zinc/52/15/59/842521559.db2.gz VDZDEUDPGVVZOB-PLNGDYQASA-N 0 0 379.507 3.682 10 0 GHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000328847230 842575786 /nfs/dbraw/zinc/57/57/86/842575786.db2.gz YAVCKBUYHRBNCF-OALUTQOASA-N 0 0 380.444 3.804 10 0 GHAERN COc1cccc([C@H](NC(=O)/C=C/c2ccncn2)c2cc(F)ccc2OC)c1 ZINC000588439577 842742092 /nfs/dbraw/zinc/74/20/92/842742092.db2.gz QLGZWFOQTODPGG-GLJAUCNMSA-N 0 0 393.418 3.552 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)cc1F ZINC000588440433 842749595 /nfs/dbraw/zinc/74/95/95/842749595.db2.gz SHFMZLRJRYHAFH-MLRPBERTSA-N 0 0 384.451 3.641 10 0 GHAERN Cc1nc([C@@H]2CCCCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)no1 ZINC000329373903 861343202 /nfs/dbraw/zinc/34/32/02/861343202.db2.gz KBYPWAXDIUDUEO-GOEBONIOSA-N 0 0 386.477 3.974 10 0 GHAERN Cc1nc([C@H]2CCCCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)no1 ZINC000329373901 861346205 /nfs/dbraw/zinc/34/62/05/861346205.db2.gz KBYPWAXDIUDUEO-GDBMZVCRSA-N 0 0 386.477 3.974 10 0 GHAERN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CC=C(c2ccccc2F)CC1 ZINC000162836674 842879221 /nfs/dbraw/zinc/87/92/21/842879221.db2.gz LRXGEGPQGHBGOM-AWEZNQCLSA-N 0 0 385.405 3.509 10 0 GHAERN COc1ccc([C@H]2CCCCCN2C(=O)CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000328959194 843197559 /nfs/dbraw/zinc/19/75/59/843197559.db2.gz OWWYDQMSODKPPE-FCHUYYIVSA-N 0 0 396.535 3.710 10 0 GHAERN CC(=O)NCc1ccc(-c2csc(NC(=O)/C=C\c3ncccc3C)n2)s1 ZINC000588451668 843293279 /nfs/dbraw/zinc/29/32/79/843293279.db2.gz VDLPJLILDDMAMJ-VURMDHGXSA-N 0 0 398.513 3.863 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000588454044 843323082 /nfs/dbraw/zinc/32/30/82/843323082.db2.gz CEDDUHRYAKRSGB-SREVYHEPSA-N 0 0 375.241 3.890 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@]2(CNC(=O)C2)C1)c1cc(F)c(Cl)cc1Cl ZINC000408250739 843593527 /nfs/dbraw/zinc/59/35/27/843593527.db2.gz QRFADIMDGOOYAX-BTDLBPIBSA-N 0 0 388.270 3.505 10 0 GHAERN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330303354 843613711 /nfs/dbraw/zinc/61/37/11/843613711.db2.gz JWWDGXKQMOYMST-PBHICJAKSA-N 0 0 392.425 3.846 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000588487709 845593343 /nfs/dbraw/zinc/59/33/43/845593343.db2.gz HOMWGTWBGKKMHN-LPADLIQXSA-N 0 0 377.410 3.841 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000151776274 845705725 /nfs/dbraw/zinc/70/57/25/845705725.db2.gz CVVVCKJJNYPCFD-QAPCUYQASA-N 0 0 393.487 3.997 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)C1 ZINC000329541223 861625611 /nfs/dbraw/zinc/62/56/11/861625611.db2.gz DGSAUOHJQYFJNG-IAGOWNOFSA-N 0 0 377.554 3.505 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cc(C)ccc2Br)c2ccccc2)[nH]1 ZINC000151998001 846102742 /nfs/dbraw/zinc/10/27/42/846102742.db2.gz QRNIGLQIMDQAJV-INIZCTEOSA-N 0 0 385.265 3.703 10 0 GHAERN O=C(Nc1nc(-c2cccs2)cs1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151990532 846109302 /nfs/dbraw/zinc/10/93/02/846109302.db2.gz HYXMLJCYJRFNPM-UHFFFAOYSA-N 0 0 398.513 3.758 10 0 GHAERN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000152115000 846259485 /nfs/dbraw/zinc/25/94/85/846259485.db2.gz PRVBVPNBGNSWSS-CQSZACIVSA-N 0 0 393.505 3.613 10 0 GHAERN CCCc1noc(CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000152491487 847193741 /nfs/dbraw/zinc/19/37/41/847193741.db2.gz TVJDJNXXAPCSDG-SJCJKPOMSA-N 0 0 380.286 3.747 10 0 GHAERN CCn1c(-c2cc3c(s2)CCCCCC3)nnc1N1CCn2cnnc2[C@H]1C ZINC000329634670 861854676 /nfs/dbraw/zinc/85/46/76/861854676.db2.gz XGBJIJFRTRDDJS-CQSZACIVSA-N 0 0 397.552 3.858 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000588551754 848471323 /nfs/dbraw/zinc/47/13/23/848471323.db2.gz WZSOSEKGYLVPRF-PLNGDYQASA-N 0 0 376.350 3.655 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CCO2)o1 ZINC000153816366 849044334 /nfs/dbraw/zinc/04/43/34/849044334.db2.gz MVQXHDUZKNQPSA-FQEVSTJZSA-N 0 0 397.475 3.738 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1)C1CC1 ZINC000154167720 849199441 /nfs/dbraw/zinc/19/94/41/849199441.db2.gz DJAZBNQIMVNTQR-OAQYLSRUSA-N 0 0 397.475 3.704 10 0 GHAERN Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)N1CCC(n2cncn2)CC1 ZINC000154195142 849216535 /nfs/dbraw/zinc/21/65/35/849216535.db2.gz VZVRTHMVYLMQDH-IBGZPJMESA-N 0 0 395.532 3.979 10 0 GHAERN COc1ccc2cccc(CC(=O)NC3CCN(c4cccc(C)n4)CC3)c2c1 ZINC000155153959 849463603 /nfs/dbraw/zinc/46/36/03/849463603.db2.gz VWPZCBAUJKGOIC-UHFFFAOYSA-N 0 0 389.499 3.880 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)NCC(C)(C)C2CCCCC2)CC1 ZINC000156292797 849858262 /nfs/dbraw/zinc/85/82/62/849858262.db2.gz FDFHCOUCJAXTON-UHFFFAOYSA-N 0 0 375.513 3.558 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000187797794 851259038 /nfs/dbraw/zinc/25/90/38/851259038.db2.gz BWWUKCQSMIJGNO-MAUKXSAKSA-N 0 0 381.314 3.594 10 0 GHAERN CCC[C@H](NC(=O)c1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000101530753 851644327 /nfs/dbraw/zinc/64/43/27/851644327.db2.gz NNTAXMGDKDMHCG-IBGZPJMESA-N 0 0 399.491 3.563 10 0 GHAERN COc1ccc([C@H](C)NC(=O)NCC(=O)Nc2cccc3ccccc32)cc1F ZINC000101605228 851724902 /nfs/dbraw/zinc/72/49/02/851724902.db2.gz PXDCVNYMVYACET-AWEZNQCLSA-N 0 0 395.434 3.986 10 0 GHAERN CCOc1ccccc1[C@@H](CC)NC(=O)NC1CCN(c2ccccn2)CC1 ZINC000101617140 851756178 /nfs/dbraw/zinc/75/61/78/851756178.db2.gz MTTXXXRBADMKHT-LJQANCHMSA-N 0 0 382.508 3.900 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000101771891 851898584 /nfs/dbraw/zinc/89/85/84/851898584.db2.gz GXTBVGQQUGVBCE-CABCVRRESA-N 0 0 379.932 3.983 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c2ccccc21 ZINC000329798679 862329346 /nfs/dbraw/zinc/32/93/46/862329346.db2.gz GRKIMECLFUVWGO-HFSMHLIXSA-N 0 0 382.504 3.667 10 0 GHAERN CCOc1ccccc1CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1C ZINC000102161367 852242185 /nfs/dbraw/zinc/24/21/85/852242185.db2.gz BKZPHVWKURKAJW-LJQANCHMSA-N 0 0 398.528 3.867 10 0 GHAERN C[C@@H](c1nnnn1C1CCCCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000329941902 862442440 /nfs/dbraw/zinc/44/24/40/862442440.db2.gz GXXPAXIJSLYDHN-HNNXBMFYSA-N 0 0 395.486 3.622 10 0 GHAERN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330168060 862630601 /nfs/dbraw/zinc/63/06/01/862630601.db2.gz ZQBLMQKMKHDHLY-GKAYAJSDSA-N 0 0 395.503 3.678 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000330192121 862650676 /nfs/dbraw/zinc/65/06/76/862650676.db2.gz XNQZCCUUTBYTMQ-HLNWXESRSA-N 0 0 387.524 3.511 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000190086507 855416128 /nfs/dbraw/zinc/41/61/28/855416128.db2.gz NVQUGQWCEVMWDO-APWZRJJASA-N 0 0 387.443 3.955 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)C1 ZINC000190131702 855419106 /nfs/dbraw/zinc/41/91/06/855419106.db2.gz UBIJILCKWSXNKG-IAOVAPTHSA-N 0 0 394.422 3.525 10 0 GHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)N[C@H]1CCc2c1cccc2Br ZINC000180338361 855455178 /nfs/dbraw/zinc/45/51/78/855455178.db2.gz HWYGUBRLYOBNEA-BZNIZROVSA-N 0 0 377.286 3.573 10 0 GHAERN Cc1ccc(Cl)cc1CNC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000190526216 855478352 /nfs/dbraw/zinc/47/83/52/855478352.db2.gz MDQFMHUOPZPGRS-MAUKXSAKSA-N 0 0 380.822 3.944 10 0 GHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000028082315 855990713 /nfs/dbraw/zinc/99/07/13/855990713.db2.gz AYKNIBAKSZIVQE-UHFFFAOYSA-N 0 0 384.307 3.643 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1Br ZINC000268916908 856284906 /nfs/dbraw/zinc/28/49/06/856284906.db2.gz OFQCSBYBPHCZDC-SJCJKPOMSA-N 0 0 383.286 3.617 10 0 GHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)NC[C@@H](O)Cc3ccccc3)c21 ZINC000104914459 856447244 /nfs/dbraw/zinc/44/72/44/856447244.db2.gz JBAFYEVLFLSKNT-INIZCTEOSA-N 0 0 379.460 3.557 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@H](c1ccccc1)c1ccccn1 ZINC000046571390 856871416 /nfs/dbraw/zinc/87/14/16/856871416.db2.gz GMHWGWPWNKPEET-JOPVOSQUSA-N 0 0 397.478 3.893 10 0 GHAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248166055 858973523 /nfs/dbraw/zinc/97/35/23/858973523.db2.gz SZPAQCHUDYAMOH-SIXWZSSISA-N 0 0 395.341 3.717 10 0 GHAERN CC(C)n1cnnc1SCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130142728 859444677 /nfs/dbraw/zinc/44/46/77/859444677.db2.gz URYHOOKOURRYCA-MRXNPFEDSA-N 0 0 386.521 3.904 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272410560 859681377 /nfs/dbraw/zinc/68/13/77/859681377.db2.gz FKDQUMYQOBZEKD-QZTJIDSGSA-N 0 0 383.471 3.678 10 0 GHAERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000023763944 860303674 /nfs/dbraw/zinc/30/36/74/860303674.db2.gz XKZJYUNLZVNHCR-DIFFPNOSSA-N 0 0 376.428 3.987 10 0 GHAERN Cc1cccc(NC(=O)Nc2cccc(CNC(=O)N(C)C[C@H]3CCCO3)c2)c1 ZINC000102904287 860620176 /nfs/dbraw/zinc/62/01/76/860620176.db2.gz RGQOGESVDHXAOB-HXUWFJFHSA-N 0 0 396.491 3.959 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3Cc4ccccc4NC3=O)C2)n1 ZINC000173070025 860649787 /nfs/dbraw/zinc/64/97/87/860649787.db2.gz GFBUFHXQGHCKQP-IAGOWNOFSA-N 0 0 383.517 3.749 10 0 GHAERN CCOCc1cccc(NC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 ZINC000102538621 860755138 /nfs/dbraw/zinc/75/51/38/860755138.db2.gz LQBULDFHTALKHN-IAGOWNOFSA-N 0 0 398.507 3.553 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3ccc(F)cc3F)C2)c1 ZINC000102545636 860761550 /nfs/dbraw/zinc/76/15/50/860761550.db2.gz LHLVEUCUHRPRCK-CABCVRRESA-N 0 0 389.446 3.860 10 0 GHAERN CCc1nnc([C@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)[nH]1 ZINC000173093125 860796006 /nfs/dbraw/zinc/79/60/06/860796006.db2.gz HWMIXBPXMXRQJF-LJQANCHMSA-N 0 0 396.491 3.688 10 0 GHAERN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000102905031 860842443 /nfs/dbraw/zinc/84/24/43/860842443.db2.gz NRUZMRYPQXKTOG-LEWJYISDSA-N 0 0 386.467 3.939 10 0 GHAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102958576 860919741 /nfs/dbraw/zinc/91/97/41/860919741.db2.gz ZDWZTPRAYDGZMF-KXBFYZLASA-N 0 0 382.460 3.989 10 0 GHAERN C[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 ZINC000102964817 860921781 /nfs/dbraw/zinc/92/17/81/860921781.db2.gz ZCHXBXRKRVCWHY-KZULUSFZSA-N 0 0 379.391 3.629 10 0 GHAERN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(C(=O)N(C)C)c2)CC1 ZINC000102984543 860930461 /nfs/dbraw/zinc/93/04/61/860930461.db2.gz KWIKWNXARHBOCC-INIZCTEOSA-N 0 0 399.922 3.561 10 0 GHAERN Brc1ccccc1C1(c2noc([C@@H]3OC[C@H]4COCC[C@@H]43)n2)CC1 ZINC000377770526 863305796 /nfs/dbraw/zinc/30/57/96/863305796.db2.gz DOCDVGAZZJCTFY-TYNCELHUSA-N 0 0 391.265 3.636 10 0 GHAERN COc1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c(OC)c1OC ZINC000103238066 863919974 /nfs/dbraw/zinc/91/99/74/863919974.db2.gz KZVCIXRCDKWIIS-UHFFFAOYSA-N 0 0 383.448 3.866 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)c21 ZINC000103129838 863927291 /nfs/dbraw/zinc/92/72/91/863927291.db2.gz ZBESOUAUSKOMLH-ZDUSSCGKSA-N 0 0 379.485 3.882 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)NC(C)(C)c3ccccc3OC)C2)c1 ZINC000103314029 863955638 /nfs/dbraw/zinc/95/56/38/863955638.db2.gz WFQLTNMYZWFCFB-KRWDZBQOSA-N 0 0 397.519 3.765 10 0 GHAERN COC(=O)c1cc(F)ccc1CSc1nnc(Cc2csc(C)n2)o1 ZINC000103349246 863967788 /nfs/dbraw/zinc/96/77/88/863967788.db2.gz UQDLSZBLWLKUPU-UHFFFAOYSA-N 0 0 379.438 3.643 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC[C@@H]1CCc1ccccc1 ZINC000104282361 864241593 /nfs/dbraw/zinc/24/15/93/864241593.db2.gz VRFRZHYUOUGCRH-MRXNPFEDSA-N 0 0 381.867 3.553 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCC4(C3)CCCCCC4)CC2)n1 ZINC000173372834 865030104 /nfs/dbraw/zinc/03/01/04/865030104.db2.gz VUSBJOMDPJVMFS-UHFFFAOYSA-N 0 0 386.540 3.665 10 0 GHAERN CCOc1ccc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000010028417 865097132 /nfs/dbraw/zinc/09/71/32/865097132.db2.gz WCYXFXXNRTZIQL-JLHYYAGUSA-N 0 0 393.487 3.911 10 0 GHAERN Cc1nc2sc3c(c2c(N2CCC([C@H](O)c4ncc[nH]4)CC2)n1)CCCC3 ZINC000302739646 865900897 /nfs/dbraw/zinc/90/08/97/865900897.db2.gz CFIXQGKJPAJZEM-KRWDZBQOSA-N 0 0 383.521 3.552 10 0 GHAERN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000173511909 865976330 /nfs/dbraw/zinc/97/63/30/865976330.db2.gz SOEQYMMVTXZWNC-HZPDHXFCSA-N 0 0 389.908 3.903 10 0 GHAERN CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000105029465 866498629 /nfs/dbraw/zinc/49/86/29/866498629.db2.gz WGUYUTXVRXGXDS-UHFFFAOYSA-N 0 0 386.521 3.752 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3oc4ccc(Cl)cc4c3C)CCO2)n1 ZINC000110899157 866662073 /nfs/dbraw/zinc/66/20/73/866662073.db2.gz REXKLOHOTUMNDX-MRXNPFEDSA-N 0 0 387.867 3.749 10 0 GHAERN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112122029 866718260 /nfs/dbraw/zinc/71/82/60/866718260.db2.gz GRQLOKGGDLFUGM-MRXNPFEDSA-N 0 0 390.915 3.903 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000114571768 866767811 /nfs/dbraw/zinc/76/78/11/866767811.db2.gz LIHVEABOFMNJAE-VQTJNVASSA-N 0 0 398.507 3.964 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000114567193 866767878 /nfs/dbraw/zinc/76/78/78/866767878.db2.gz MJPVSAZHHQHHSM-GOSISDBHSA-N 0 0 381.480 3.533 10 0 GHAERN CC1CCC(N2C[C@@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)CC1 ZINC000115366671 866781467 /nfs/dbraw/zinc/78/14/67/866781467.db2.gz KDCLPFXHFXHSHW-XGHPGWEVSA-N 0 0 375.538 3.624 10 0 GHAERN Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000171082974 882110678 /nfs/dbraw/zinc/11/06/78/882110678.db2.gz CZWAKXASJVALOL-UHFFFAOYSA-N 0 0 397.563 3.851 10 0 GHAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171614882 882116678 /nfs/dbraw/zinc/11/66/78/882116678.db2.gz XNHKCEFFLBFKAD-IBGZPJMESA-N 0 0 394.515 3.852 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615321 882116819 /nfs/dbraw/zinc/11/68/19/882116819.db2.gz RBKAZVSGIKPDBL-IBGZPJMESA-N 0 0 397.544 3.619 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171647975 882121760 /nfs/dbraw/zinc/12/17/60/882121760.db2.gz NWJMJSPQCWNEOE-LQYUOIDQSA-N 0 0 388.489 3.588 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c3c2CCC3)c(F)c1 ZINC000151581062 868075151 /nfs/dbraw/zinc/07/51/51/868075151.db2.gz GSPBDBSHNUUJFS-QMHKHESXSA-N 0 0 397.494 3.576 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1nc(C)cs1 ZINC000171719772 882156180 /nfs/dbraw/zinc/15/61/80/882156180.db2.gz SQKBELQBKUOCBF-HUUCEWRRSA-N 0 0 384.509 3.535 10 0 GHAERN Cn1c(CN2CCCN(C(=O)c3cccs3)CC2)nc2cc(Cl)ccc21 ZINC000171829169 882164472 /nfs/dbraw/zinc/16/44/72/882164472.db2.gz ILPJTCJRHOVDQY-UHFFFAOYSA-N 0 0 388.924 3.636 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H]3CCSc4ccccc43)CC2)n1 ZINC000172060893 882165876 /nfs/dbraw/zinc/16/58/76/882165876.db2.gz LTHNGSRDPRMSCN-SFHVURJKSA-N 0 0 382.533 3.895 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)N1CC=C(c2cccs2)CC1 ZINC000172270412 882192818 /nfs/dbraw/zinc/19/28/18/882192818.db2.gz DRKVVYYZBWHJSE-UHFFFAOYSA-N 0 0 395.528 3.852 10 0 GHAERN CCO[C@@H](C)c1nc(CN2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000172317580 882197804 /nfs/dbraw/zinc/19/78/04/882197804.db2.gz SRFOZNDKOWSCMG-INIZCTEOSA-N 0 0 379.570 3.855 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C12CCOCC2 ZINC000248734220 882268819 /nfs/dbraw/zinc/26/88/19/882268819.db2.gz QOMBIXUMFHTMDZ-YTQUADARSA-N 0 0 388.508 3.562 10 0 GHAERN CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000172457180 882277334 /nfs/dbraw/zinc/27/73/34/882277334.db2.gz KFGPSBMFFXTRPD-YJBOKZPZSA-N 0 0 381.476 3.773 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000172638280 882281386 /nfs/dbraw/zinc/28/13/86/882281386.db2.gz JGQFPQLABSQZOV-PXNSSMCTSA-N 0 0 388.895 3.589 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)NC[C@H](CCO)c3ccccc3)CC2)cc1 ZINC000172639843 882282405 /nfs/dbraw/zinc/28/24/05/882282405.db2.gz RGJTYLDJSLHVSN-FQEVSTJZSA-N 0 0 382.504 3.714 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000172517252 882292923 /nfs/dbraw/zinc/29/29/23/882292923.db2.gz UFYOGKXGLHOPNR-KRWDZBQOSA-N 0 0 384.524 3.649 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000172555894 882295955 /nfs/dbraw/zinc/29/59/55/882295955.db2.gz YXWPJCPTTKQMHN-MRXNPFEDSA-N 0 0 396.491 3.580 10 0 GHAERN CC[C@H]1CCc2nc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)sc2C1 ZINC000172834505 882312535 /nfs/dbraw/zinc/31/25/35/882312535.db2.gz LCJFXQKSUBKJTK-AWEZNQCLSA-N 0 0 398.532 3.544 10 0 GHAERN COC(=O)CCc1ccc(NCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000172903820 882323512 /nfs/dbraw/zinc/32/35/12/882323512.db2.gz XDDSWDOOPUVAJW-OAQYLSRUSA-N 0 0 396.487 3.576 10 0 GHAERN Cc1cc(C)c2c(c1)N(C(=O)C1CCN(C(=O)c3ccccn3)CC1)CCC2 ZINC000172956204 882326469 /nfs/dbraw/zinc/32/64/69/882326469.db2.gz WOGUJRPQQMUQIY-UHFFFAOYSA-N 0 0 377.488 3.530 10 0 GHAERN O=C(Nc1ccc(CC(F)(F)F)cc1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000173243242 882343201 /nfs/dbraw/zinc/34/32/01/882343201.db2.gz OPHDIQJBVIMPRR-KRWDZBQOSA-N 0 0 391.393 3.820 10 0 GHAERN C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000173277078 882344405 /nfs/dbraw/zinc/34/44/05/882344405.db2.gz JPTFXLZAFCJSRH-OAHLLOKOSA-N 0 0 391.968 3.797 10 0 GHAERN Cn1c2cc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)ccc2oc1=O ZINC000102375090 882347614 /nfs/dbraw/zinc/34/76/14/882347614.db2.gz XIQZNQBXWNTYMS-UHFFFAOYSA-N 0 0 378.428 3.612 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccn(Cc4ccncc4)n3)C2)cc1 ZINC000173307017 882353950 /nfs/dbraw/zinc/35/39/50/882353950.db2.gz KUTGSQZOCUEZBL-APWZRJJASA-N 0 0 391.475 3.745 10 0 GHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)NC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000173348133 882355100 /nfs/dbraw/zinc/35/51/00/882355100.db2.gz QYMPBWQMWNMDQZ-VNCLNFNDSA-N 0 0 380.554 3.601 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCC(OCCC(C)C)CC3)CC2)nc1 ZINC000173371659 882356859 /nfs/dbraw/zinc/35/68/59/882356859.db2.gz TYGXBKKMYFGALF-UHFFFAOYSA-N 0 0 388.556 3.596 10 0 GHAERN COc1ccc([C@H](C)N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000173378617 882357458 /nfs/dbraw/zinc/35/74/58/882357458.db2.gz XHRVEKMLFMJWKA-KRWDZBQOSA-N 0 0 382.508 3.770 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)cc1 ZINC000173754488 882371806 /nfs/dbraw/zinc/37/18/06/882371806.db2.gz MTMZUIFUAIOCLQ-WMLDXEAASA-N 0 0 379.460 3.990 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000173582095 882382201 /nfs/dbraw/zinc/38/22/01/882382201.db2.gz LYSXYEQLPVVVHT-UPKKBRNCSA-N 0 0 385.467 3.999 10 0 GHAERN Cn1cc(CCNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccc(Cl)cc21 ZINC000186990540 870244904 /nfs/dbraw/zinc/24/49/04/870244904.db2.gz LQHAKXLCCUHORY-KKSFZXQISA-N 0 0 389.927 3.711 10 0 GHAERN CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2csc(C)n2)CC1=O ZINC000187060343 870247092 /nfs/dbraw/zinc/24/70/92/870247092.db2.gz IULPGYVUPCOKNG-LPHOPBHVSA-N 0 0 383.517 3.731 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(-n2cccn2)cc1 ZINC000173657069 882390271 /nfs/dbraw/zinc/39/02/71/882390271.db2.gz OTZAZBVTVYYHRE-RDJZCZTQSA-N 0 0 381.505 3.979 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(Cc3ncc(-c4ccccc4Cl)o3)CCO2)n1 ZINC000173696315 882392632 /nfs/dbraw/zinc/39/26/32/882392632.db2.gz OHEBXKFLOVLJCX-INIZCTEOSA-N 0 0 386.883 3.709 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000190342375 870326783 /nfs/dbraw/zinc/32/67/83/870326783.db2.gz ZYZOFEDFWAYXFH-FHWLQOOXSA-N 0 0 386.471 3.639 10 0 GHAERN CC(C)(C)c1nc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000173921881 882395688 /nfs/dbraw/zinc/39/56/88/882395688.db2.gz NREAICJRYPPYSY-UHFFFAOYSA-N 0 0 395.868 3.791 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2cnn(Cc3cccs3)c2n1 ZINC000046496009 870435729 /nfs/dbraw/zinc/43/57/29/870435729.db2.gz DHDJIAPAYHCYDH-RBUKOAKNSA-N 0 0 396.516 3.633 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(N4CCNC4=O)c3C)C2)cc1 ZINC000173848500 882410029 /nfs/dbraw/zinc/41/00/29/882410029.db2.gz PZPDNEBIQGBCHO-MAUKXSAKSA-N 0 0 393.487 3.551 10 0 GHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)ccc12 ZINC000194711806 870523974 /nfs/dbraw/zinc/52/39/74/870523974.db2.gz GYILCOFTZVQNOU-VQTJNVASSA-N 0 0 376.460 3.513 10 0 GHAERN COc1ccc(OCCCC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000102383116 882416135 /nfs/dbraw/zinc/41/61/35/882416135.db2.gz CQAHRDDNDHJLEK-GOSISDBHSA-N 0 0 398.503 3.506 10 0 GHAERN O=c1nc(CN2CCO[C@H]3CCCC[C@@H]32)[nH]c2sc(-c3ccccc3)cc21 ZINC000103470058 870601061 /nfs/dbraw/zinc/60/10/61/870601061.db2.gz PXCHOMCNLOJSGJ-IRXDYDNUSA-N 0 0 381.501 3.795 10 0 GHAERN O=C(Nc1ccc(CN2CCCC2=O)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114809876 870632003 /nfs/dbraw/zinc/63/20/03/870632003.db2.gz KDMPCUVGAIDRJY-INIZCTEOSA-N 0 0 384.505 3.677 10 0 GHAERN CC(C)(C)c1ccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000174256595 882440324 /nfs/dbraw/zinc/44/03/24/882440324.db2.gz ZMOTXAOQZUCQGZ-UHFFFAOYSA-N 0 0 397.523 3.984 10 0 GHAERN Cc1cc(C)c(-c2nn(CN3CCC(C(=O)N(C)C)CC3)c(=S)o2)c(C)c1 ZINC000103133899 871324292 /nfs/dbraw/zinc/32/42/92/871324292.db2.gz IFHBHNQNRYOPGY-UHFFFAOYSA-N 0 0 388.537 3.556 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174758019 882501350 /nfs/dbraw/zinc/50/13/50/882501350.db2.gz KFHMWLCOYBONIN-CYBMUJFWSA-N 0 0 397.406 3.725 10 0 GHAERN COc1cccc(Cl)c1C(=O)N1CCC[C@@H](C2N=NC(=S)N2C(C)C)C1 ZINC000174799598 882502679 /nfs/dbraw/zinc/50/26/79/882502679.db2.gz QHEXYJCOCSGCPX-GFCCVEGCSA-N 0 0 394.928 3.830 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNC2(c3nccs3)CCCC2)cc1 ZINC000175007688 882513544 /nfs/dbraw/zinc/51/35/44/882513544.db2.gz SHUHDEYVRQITKW-GOSISDBHSA-N 0 0 385.533 3.874 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(Cc2ccccc2)no1 ZINC000175023416 882515541 /nfs/dbraw/zinc/51/55/41/882515541.db2.gz GOFDXXQVTDYRLM-HOCLYGCPSA-N 0 0 397.504 3.767 10 0 GHAERN COc1cccc(CN2CCCN(C(=O)c3cccs3)CC2)c1OC(F)F ZINC000093385803 882524362 /nfs/dbraw/zinc/52/43/62/882524362.db2.gz FAHXLEKPPRRKKK-UHFFFAOYSA-N 0 0 396.459 3.706 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175056709 882520273 /nfs/dbraw/zinc/52/02/73/882520273.db2.gz SOOCVCQBIDPWGB-LCCNJJIFSA-N 0 0 380.488 3.825 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)c1 ZINC000175412168 882553719 /nfs/dbraw/zinc/55/37/19/882553719.db2.gz NTKFYRBALCXTJJ-AWEZNQCLSA-N 0 0 383.444 3.754 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175237438 882561081 /nfs/dbraw/zinc/56/10/81/882561081.db2.gz QPSLOFRFGGLJGP-SFHVURJKSA-N 0 0 385.483 3.578 10 0 GHAERN Cc1nc(C(C)(C)NC(=O)NC2CCN(c3ccc(C)cn3)CC2)sc1C ZINC000175281780 882563989 /nfs/dbraw/zinc/56/39/89/882563989.db2.gz RHWZDHOKXSGJQK-UHFFFAOYSA-N 0 0 387.553 3.667 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175520075 882593318 /nfs/dbraw/zinc/59/33/18/882593318.db2.gz IYCJQWHGSPVXLE-IPMKNSEASA-N 0 0 397.437 3.996 10 0 GHAERN CCSCC[C@@H](C)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175595630 882600635 /nfs/dbraw/zinc/60/06/35/882600635.db2.gz RPYQMHFWBKVRTA-OAHLLOKOSA-N 0 0 380.529 3.668 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc([S@](C)=O)c(F)c3)C2)cc1 ZINC000175876442 882609837 /nfs/dbraw/zinc/60/98/37/882609837.db2.gz HKPLTXCISTUAHB-RFWILCRPSA-N 0 0 390.480 3.982 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCC(=O)c3cccs3)C2)o1 ZINC000102143186 872640578 /nfs/dbraw/zinc/64/05/78/872640578.db2.gz WIPBMEMLZUTSAC-HNNXBMFYSA-N 0 0 389.473 3.708 10 0 GHAERN O=C(CSCC(=O)c1ccc(Cl)cc1)Nc1cccc(-c2ncon2)c1 ZINC000176180971 882642373 /nfs/dbraw/zinc/64/23/73/882642373.db2.gz NJJXOMNZGVCXPA-UHFFFAOYSA-N 0 0 387.848 3.945 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)C2)cc1 ZINC000176054679 882661945 /nfs/dbraw/zinc/66/19/45/882661945.db2.gz MSPPKKFPUWGYSX-GOEBONIOSA-N 0 0 399.466 3.946 10 0 GHAERN CCC[C@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000176074657 882663533 /nfs/dbraw/zinc/66/35/33/882663533.db2.gz HCCDBRXVJMPYHI-IFXJQAMLSA-N 0 0 384.517 3.902 10 0 GHAERN NC(=O)c1ccc(C=CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000176091852 882665375 /nfs/dbraw/zinc/66/53/75/882665375.db2.gz RZIOMGUNPXKSTL-XCVCLJGOSA-N 0 0 396.874 3.574 10 0 GHAERN O=C1CCCCN1Cc1cccc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102320176 872932933 /nfs/dbraw/zinc/93/29/33/872932933.db2.gz SUMKGTJZKUXBRV-UHFFFAOYSA-N 0 0 395.484 3.548 10 0 GHAERN COc1ccc([C@H](NC(=O)/C=C/c2ccc3ccccc3n2)c2nccn2C)cc1 ZINC000016473880 873067303 /nfs/dbraw/zinc/06/73/03/873067303.db2.gz PVBJTHMCKNHIPK-UDFXALJUSA-N 0 0 398.466 3.896 10 0 GHAERN CCS[C@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000176748147 882709971 /nfs/dbraw/zinc/70/99/71/882709971.db2.gz QWRCEJFVIACGBJ-HOTGVXAUSA-N 0 0 380.579 3.781 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Cn1c(=S)[nH]nc1-c1cccs1 ZINC000176595048 882717614 /nfs/dbraw/zinc/71/76/14/882717614.db2.gz DQOTZEPQEIRTMA-CYBMUJFWSA-N 0 0 399.545 3.536 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)ccc1OC(F)F ZINC000176768559 882732235 /nfs/dbraw/zinc/73/22/35/882732235.db2.gz XHTLYZWNZJKAFG-UABRLCRWSA-N 0 0 379.359 3.503 10 0 GHAERN CN(C(N)=O)c1ccc(OC(=O)CCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000102915398 873815672 /nfs/dbraw/zinc/81/56/72/873815672.db2.gz MGTHNHJBYHYMHW-UHFFFAOYSA-N 0 0 380.444 3.649 10 0 GHAERN CNC(=O)COc1ccc(NC(=O)/C=C/c2ccc3ccc(Cl)cc3n2)cc1 ZINC000104538375 874482131 /nfs/dbraw/zinc/48/21/31/874482131.db2.gz GVRMHFHZAJGJHF-DHZHZOJOSA-N 0 0 395.846 3.665 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccc(-c2ccncc2)cc1 ZINC000177586133 882834344 /nfs/dbraw/zinc/83/43/44/882834344.db2.gz LHKUGLIXZJRLAB-DYESRHJHSA-N 0 0 375.476 3.880 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000177557773 882830991 /nfs/dbraw/zinc/83/09/91/882830991.db2.gz XYKLLGCWVVHQLW-UHFFFAOYSA-N 0 0 399.450 3.902 10 0 GHAERN CC[C@@H]1CCc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000177654816 882839519 /nfs/dbraw/zinc/83/95/19/882839519.db2.gz UHBWMXGBHCDDFP-LJQANCHMSA-N 0 0 377.488 3.692 10 0 GHAERN C[C@H]1C(=O)NCCCN1c1nc(C2CC2)nc2scc(-c3ccccc3)c21 ZINC000302745846 875329590 /nfs/dbraw/zinc/32/95/90/875329590.db2.gz FGXKXTZQEYNHQF-ZDUSSCGKSA-N 0 0 378.501 3.951 10 0 GHAERN COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(Cl)nc2)cc1Cl ZINC000105617022 875347598 /nfs/dbraw/zinc/34/75/98/875347598.db2.gz FUFKAXDVUCTFMT-UHFFFAOYSA-N 0 0 395.695 3.871 10 0 GHAERN Cc1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cnn1-c1ccccc1F ZINC000120118227 875587591 /nfs/dbraw/zinc/58/75/91/875587591.db2.gz QBRLNKUBZFKVSQ-SFHVURJKSA-N 0 0 396.447 3.761 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000178891738 882962975 /nfs/dbraw/zinc/96/29/75/882962975.db2.gz DLSBFOJBEPLEDR-LJQANCHMSA-N 0 0 398.438 3.847 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000120302748 875895016 /nfs/dbraw/zinc/89/50/16/875895016.db2.gz JWRAJKMGVPWFTG-BQYQJAHWSA-N 0 0 380.410 3.722 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(N4CCCC4=O)c3)CCO2)o1 ZINC000179186281 882977739 /nfs/dbraw/zinc/97/77/39/882977739.db2.gz OXSKFDOGSVQDLT-OXJNMPFZSA-N 0 0 397.475 3.559 10 0 GHAERN Cn1c2ccccc2nc1[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000179737186 882996809 /nfs/dbraw/zinc/99/68/09/882996809.db2.gz ODJWXABWULLPJP-JTHBVZDNSA-N 0 0 385.467 3.903 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000179483974 883003420 /nfs/dbraw/zinc/00/34/20/883003420.db2.gz ZPXKTEPRFORLNH-MRXNPFEDSA-N 0 0 395.507 3.579 10 0 GHAERN O=C(c1ccc(Cl)nc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000120810547 876310608 /nfs/dbraw/zinc/31/06/08/876310608.db2.gz ZOZQSPAOSKQGGJ-UHFFFAOYSA-N 0 0 384.307 3.643 10 0 GHAERN C[C@H](OC1CCCCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000120959963 876380831 /nfs/dbraw/zinc/38/08/31/876380831.db2.gz WIFVAQRBIIUDLC-INIZCTEOSA-N 0 0 378.538 3.551 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179839157 883032147 /nfs/dbraw/zinc/03/21/47/883032147.db2.gz OFCRQKSAGIFAIA-CQSZACIVSA-N 0 0 388.399 3.942 10 0 GHAERN COc1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)cc(Cl)c1OC ZINC000121035586 876454247 /nfs/dbraw/zinc/45/42/47/876454247.db2.gz LGEVJMKOJUVXFR-UHFFFAOYSA-N 0 0 394.943 3.972 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121240217 876675692 /nfs/dbraw/zinc/67/56/92/876675692.db2.gz YANBUUPESKXWPW-JBVUFVISSA-N 0 0 384.842 3.835 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)s1)c1ccccc1 ZINC000180471910 883060555 /nfs/dbraw/zinc/06/05/55/883060555.db2.gz IYMROZZZRKEGIS-SJORKVTESA-N 0 0 396.520 3.973 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)CC2)nc1 ZINC000180870789 883104781 /nfs/dbraw/zinc/10/47/81/883104781.db2.gz USJQPADIDNBFSC-UHFFFAOYSA-N 0 0 382.508 3.903 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000122330151 878753890 /nfs/dbraw/zinc/75/38/90/878753890.db2.gz OHUQWNAMLVTVNP-YJBOKZPZSA-N 0 0 387.501 3.507 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122655295 879242099 /nfs/dbraw/zinc/24/20/99/879242099.db2.gz DEUIPWQVZGEXLC-LEWJYISDSA-N 0 0 379.435 3.740 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1ccc(OC2CCCCC2)cc1 ZINC000135271437 879267682 /nfs/dbraw/zinc/26/76/82/879267682.db2.gz AZMJIVTVLSOIIY-GOSISDBHSA-N 0 0 380.492 3.587 10 0 GHAERN CCN(Cc1ccc(Cl)s1)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103517708 881264551 /nfs/dbraw/zinc/26/45/51/881264551.db2.gz LROLCNVZDRIDLJ-UHFFFAOYSA-N 0 0 375.922 3.848 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000181035405 883118302 /nfs/dbraw/zinc/11/83/02/883118302.db2.gz BCGRRPYKCGUEHR-UHFFFAOYSA-N 0 0 390.424 3.859 10 0 GHAERN CCN1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181101725 883121960 /nfs/dbraw/zinc/12/19/60/883121960.db2.gz ITNAYUCXGAZALR-JLSDUUJJSA-N 0 0 390.890 3.505 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 ZINC000102442029 883135969 /nfs/dbraw/zinc/13/59/69/883135969.db2.gz JKYFZOFDVPJJKB-UHFFFAOYSA-N 0 0 392.503 3.550 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)[C@H](C)c3c(C)nn(CC(F)(F)F)c3C)CCO2)o1 ZINC000182379307 883219263 /nfs/dbraw/zinc/21/92/63/883219263.db2.gz AKHPIDQLVFEXPP-WBMJQRKESA-N 0 0 399.413 3.667 10 0 GHAERN O=C(/C=C/c1cccc(O)c1)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000183407484 883265072 /nfs/dbraw/zinc/26/50/72/883265072.db2.gz DVYAYNSNPYSJQI-QPJJXVBHSA-N 0 0 391.393 3.604 10 0 GHAERN Cc1[nH]cc(C(=O)N2CCCC[C@@H]2c2nccs2)c(=O)c1Br ZINC000183219314 883272971 /nfs/dbraw/zinc/27/29/71/883272971.db2.gz JIBOWSLUJPPEMF-LLVKDONJSA-N 0 0 382.283 3.682 10 0 GHAERN O=C(Nc1ccccc1CC(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000184119101 883322346 /nfs/dbraw/zinc/32/23/46/883322346.db2.gz VHVAMMHUPONGBX-UHFFFAOYSA-N 0 0 378.398 3.931 10 0 GHAERN CC(C)c1ccc(NC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1F ZINC000184448766 883336158 /nfs/dbraw/zinc/33/61/58/883336158.db2.gz FGEZZXVYSBUERF-CQSZACIVSA-N 0 0 387.419 3.636 10 0 GHAERN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000185174842 883414836 /nfs/dbraw/zinc/41/48/36/883414836.db2.gz CUWSLMFUMPVVLT-HNNXBMFYSA-N 0 0 387.911 3.764 10 0 GHAERN CC(=O)N1CC[C@H](NCc2cn3cc(Cl)ccc3n2)c2ccc(F)cc2C1 ZINC000185349725 883437157 /nfs/dbraw/zinc/43/71/57/883437157.db2.gz WPFOEIXFSDHSGV-IBGZPJMESA-N 0 0 386.858 3.710 10 0 GHAERN O=C(NC1CCC(O)(c2cccnc2)CC1)NC1(c2ccccc2)CCCC1 ZINC000185392950 883445875 /nfs/dbraw/zinc/44/58/75/883445875.db2.gz SCINZNROIWYSCN-UHFFFAOYSA-N 0 0 379.504 3.981 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)COc2ccc(C(C)C)cc2)c2ccc(F)cc2C1 ZINC000185501068 883546057 /nfs/dbraw/zinc/54/60/57/883546057.db2.gz QCGQWOFOUWBVLN-QFIPXVFZSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2CCOc3ccccc32)c2ccc(F)cc2C1 ZINC000185506502 883547697 /nfs/dbraw/zinc/54/76/97/883547697.db2.gz TWCOSBVEJZCNNS-HRAATJIYSA-N 0 0 396.462 3.692 10 0 GHAERN CCSc1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccn1 ZINC000185504737 883547797 /nfs/dbraw/zinc/54/77/97/883547797.db2.gz OMDCSNGHFGJXDC-GOSISDBHSA-N 0 0 387.480 3.556 10 0 GHAERN O=C(c1cc(Cl)cc(Cl)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000185563624 883556757 /nfs/dbraw/zinc/55/67/57/883556757.db2.gz XGSRXPOUVFVJHD-UHFFFAOYSA-N 0 0 384.307 3.643 10 0 GHAERN Brc1ccc2ncc(CNCc3ncc(-c4ccccc4)cn3)n2c1 ZINC000185875395 883597432 /nfs/dbraw/zinc/59/74/32/883597432.db2.gz BPKJEOOVABFPOR-UHFFFAOYSA-N 0 0 394.276 3.844 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CCCC(=O)c2ccc(C)cc2)c2ccccc2)[nH]1 ZINC000186153057 883615486 /nfs/dbraw/zinc/61/54/86/883615486.db2.gz DDQMQQYGWCDXMN-NRFANRHFSA-N 0 0 376.460 3.680 10 0 GHAERN Cc1oc2ccc(NC(=O)N3CCC(c4ccnn4CCO)CC3)cc2c1C ZINC000186467112 883647693 /nfs/dbraw/zinc/64/76/93/883647693.db2.gz RUUKPRRMQDNIDA-UHFFFAOYSA-N 0 0 382.464 3.650 10 0 GHAERN CCc1noc(-c2ccc(C)c(N[C@H]3CCS(=O)(=O)c4ccccc43)c2)n1 ZINC000186380458 883652931 /nfs/dbraw/zinc/65/29/31/883652931.db2.gz GXXVXEPVWNVBCP-INIZCTEOSA-N 0 0 383.473 3.938 10 0 GHAERN O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCC(Nc2nccs2)CC1 ZINC000186505797 883659326 /nfs/dbraw/zinc/65/93/26/883659326.db2.gz CHLGHTQZHATNKT-HNNXBMFYSA-N 0 0 392.912 3.906 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@H](C)c3cn(C)c4ccccc34)CC2)n1 ZINC000186588510 883667372 /nfs/dbraw/zinc/66/73/72/883667372.db2.gz INKFUIYIZYQHMX-QGZVFWFLSA-N 0 0 376.504 3.770 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCc4c([nH]c5ccccc54)C3)ccc2NC1=O ZINC000186640173 883678647 /nfs/dbraw/zinc/67/86/47/883678647.db2.gz DXEAVEYOZVFOQF-UHFFFAOYSA-N 0 0 375.432 3.735 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@H](O)c3ccc(C(C)(C)C)cc3)ccc2NC1=O ZINC000186695523 883688179 /nfs/dbraw/zinc/68/81/79/883688179.db2.gz UCPFPYWLXSBVRO-IBGZPJMESA-N 0 0 396.491 3.817 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3cccc4ccccc43)CC2)n1 ZINC000186779768 883702157 /nfs/dbraw/zinc/70/21/57/883702157.db2.gz URZOIRAPSNVXIU-VQTJNVASSA-N 0 0 390.487 3.799 10 0 GHAERN COCCCN(CCO)C(=O)N[C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186980077 883741030 /nfs/dbraw/zinc/74/10/30/883741030.db2.gz ACRHVFBKWZSXQB-QGZVFWFLSA-N 0 0 382.913 3.531 10 0 GHAERN Cc1csc([C@H](NC(=O)N2CCC(Nc3nccs3)CC2)C2CC2)n1 ZINC000187292434 883776696 /nfs/dbraw/zinc/77/66/96/883776696.db2.gz ALANFEAHTIUMGF-CQSZACIVSA-N 0 0 377.539 3.645 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)cc1 ZINC000187416483 883790536 /nfs/dbraw/zinc/79/05/36/883790536.db2.gz NAHXIZPAZKNWHF-FQEVSTJZSA-N 0 0 394.475 3.975 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC(Nc2nccs2)CC1 ZINC000187819225 883808473 /nfs/dbraw/zinc/80/84/73/883808473.db2.gz DYKICWOXIZSZRC-QZTJIDSGSA-N 0 0 386.521 3.649 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000188006756 883819502 /nfs/dbraw/zinc/81/95/02/883819502.db2.gz SAMJHVXVOBIXTE-UHFFFAOYSA-N 0 0 395.381 3.575 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000188234963 883841491 /nfs/dbraw/zinc/84/14/91/883841491.db2.gz OWTXLGVQUOEEBC-SFHVURJKSA-N 0 0 386.536 3.513 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(NC(C)=O)c3C)C2)c1 ZINC000188497768 883854474 /nfs/dbraw/zinc/85/44/74/883854474.db2.gz YEQRUQRRQTYERO-MRXNPFEDSA-N 0 0 382.460 3.600 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N3CCC(Nc4nccs4)CC3)c2)no1 ZINC000188746927 883865711 /nfs/dbraw/zinc/86/57/11/883865711.db2.gz MUZXLYOCKOLPKU-UHFFFAOYSA-N 0 0 384.465 3.610 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000188693893 883870922 /nfs/dbraw/zinc/87/09/22/883870922.db2.gz DSXMLKQETSJSDN-INIZCTEOSA-N 0 0 391.427 3.592 10 0 GHAERN Cc1ncc(-c2ccc(NC(=O)C(=O)N[C@H]3CCOc4c(C)cccc43)cc2)o1 ZINC000188694213 883871155 /nfs/dbraw/zinc/87/11/55/883871155.db2.gz WRQOUYYMDHMAPF-SFHVURJKSA-N 0 0 391.427 3.537 10 0 GHAERN O=C(Nc1ccc2c(c1)CCCC(=O)N2)N1CCC(Nc2nccs2)CC1 ZINC000188883603 883890262 /nfs/dbraw/zinc/89/02/62/883890262.db2.gz CJRZPRUEMNHKSO-UHFFFAOYSA-N 0 0 385.493 3.526 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000189092889 883903089 /nfs/dbraw/zinc/90/30/89/883903089.db2.gz ZFWNBYYFCWGMME-LSDHHAIUSA-N 0 0 375.494 3.701 10 0 GHAERN Cc1coc(-c2cccc(NC(=O)C(=O)N3CCC[C@H]3c3csc(C)n3)c2)n1 ZINC000189436873 883954377 /nfs/dbraw/zinc/95/43/77/883954377.db2.gz USBUFOCOONQUBL-KRWDZBQOSA-N 0 0 396.472 3.717 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cs1 ZINC000189452900 883955682 /nfs/dbraw/zinc/95/56/82/883955682.db2.gz XYBQVSGWDZNBDS-SFHVURJKSA-N 0 0 385.489 3.543 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000189666326 883983719 /nfs/dbraw/zinc/98/37/19/883983719.db2.gz UFDVGDQKTPHJCR-HNNXBMFYSA-N 0 0 396.278 3.670 10 0 GHAERN O=C(CCc1cnn(-c2ccccc2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189783057 883994696 /nfs/dbraw/zinc/99/46/96/883994696.db2.gz KYQYTDOCPAHTFT-UHFFFAOYSA-N 0 0 387.483 3.900 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2NC1=O ZINC000189791377 883995144 /nfs/dbraw/zinc/99/51/44/883995144.db2.gz KWYBVCNAKDPZDG-CQSZACIVSA-N 0 0 394.496 3.828 10 0 GHAERN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189783450 883995467 /nfs/dbraw/zinc/99/54/67/883995467.db2.gz KMAZIQZJWPJDDL-HXUWFJFHSA-N 0 0 393.483 3.953 10 0 GHAERN O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189783434 883995544 /nfs/dbraw/zinc/99/55/44/883995544.db2.gz KMAZIQZJWPJDDL-FQEVSTJZSA-N 0 0 393.483 3.953 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1nnc2ccccn21 ZINC000189898897 884006988 /nfs/dbraw/zinc/00/69/88/884006988.db2.gz ATOACWRSKOOLBV-KGLIPLIRSA-N 0 0 385.418 3.658 10 0 GHAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189828718 884014950 /nfs/dbraw/zinc/01/49/50/884014950.db2.gz BXKMGJSTQGZFPK-KRWDZBQOSA-N 0 0 379.456 3.752 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000190079990 884036065 /nfs/dbraw/zinc/03/60/65/884036065.db2.gz XZWVPDREPDFLSN-ROUUACIJSA-N 0 0 398.850 3.696 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190025210 884043881 /nfs/dbraw/zinc/04/38/81/884043881.db2.gz SOLOHXVUPJDZGB-HVMBIVEYSA-N 0 0 381.432 3.688 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000190032863 884044827 /nfs/dbraw/zinc/04/48/27/884044827.db2.gz XLLQSEIIJFTLTB-BRXULGCHSA-N 0 0 396.274 3.777 10 0 GHAERN CCCCc1ccc(C(=O)CCC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190047295 884045661 /nfs/dbraw/zinc/04/56/61/884045661.db2.gz HBKJHZFBZOKXDG-OALUTQOASA-N 0 0 399.491 3.672 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(Nc2nccs2)CC1 ZINC000190116012 884046667 /nfs/dbraw/zinc/04/66/67/884046667.db2.gz UWVPFKFSOVEXKU-WCQYABFASA-N 0 0 376.448 3.850 10 0 GHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000190178351 884051322 /nfs/dbraw/zinc/05/13/22/884051322.db2.gz RFHNAJJUPXPWMU-SFHVURJKSA-N 0 0 376.460 3.825 10 0 GHAERN CC(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)CC1 ZINC000190275116 884063447 /nfs/dbraw/zinc/06/34/47/884063447.db2.gz PQYOPDORKCPCHK-MRXNPFEDSA-N 0 0 378.463 3.565 10 0 GHAERN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N1CCC[C@]12CCOC2=O ZINC000190328753 884068215 /nfs/dbraw/zinc/06/82/15/884068215.db2.gz CNLGNRJJLKVIKS-VQIMIIECSA-N 0 0 390.892 3.982 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)N3CCC(Nc4nccs4)CC3)cs2)o1 ZINC000190383756 884073953 /nfs/dbraw/zinc/07/39/53/884073953.db2.gz LEQAGOMJSFEHRD-UHFFFAOYSA-N 0 0 388.518 3.814 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(Nc3nccs3)CC2)cc1OC ZINC000190439388 884082129 /nfs/dbraw/zinc/08/21/29/884082129.db2.gz AHPYBAZPXRWGNI-FNORWQNLSA-N 0 0 387.505 3.667 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(C(=O)NCC4CC4)ccc3C)CCO2)o1 ZINC000190594778 884091225 /nfs/dbraw/zinc/09/12/25/884091225.db2.gz NAXFMENFULVPFU-HXUWFJFHSA-N 0 0 397.475 3.642 10 0 GHAERN Cc1cc2nc(C)c(CCC(=O)N[C@H]3CCOc4c(C)cccc43)c(C)n2n1 ZINC000190643239 884105439 /nfs/dbraw/zinc/10/54/39/884105439.db2.gz SXRQJTYLVLTUMC-IBGZPJMESA-N 0 0 378.476 3.536 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000191796547 884211896 /nfs/dbraw/zinc/21/18/96/884211896.db2.gz IJTHNROIQLRAEY-KBPBESRZSA-N 0 0 381.542 3.707 10 0 GHAERN O=C(NCCNC(=O)N(Cc1ccco1)C1CCCC1)c1ccccc1Cl ZINC000105106933 884218073 /nfs/dbraw/zinc/21/80/73/884218073.db2.gz XBWTUHICQVTHSG-UHFFFAOYSA-N 0 0 389.883 3.817 10 0 GHAERN CCOC(=O)c1csc([C@@H]2CCCN2Cc2c(C)nc3sc(C)cn23)n1 ZINC000191825334 884222788 /nfs/dbraw/zinc/22/27/88/884222788.db2.gz OVILOGLNQHUMRW-AWEZNQCLSA-N 0 0 390.534 3.983 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCC1CCC2(CC1)OCCO2 ZINC000192626087 884271149 /nfs/dbraw/zinc/27/11/49/884271149.db2.gz WTZNDMZWQQEXMA-GOSISDBHSA-N 0 0 390.528 3.587 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000102808584 884470757 /nfs/dbraw/zinc/47/07/57/884470757.db2.gz YZOVJCVMQOCITF-ROUUACIJSA-N 0 0 387.568 3.935 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000102953529 884654627 /nfs/dbraw/zinc/65/46/27/884654627.db2.gz QKFKJXNHURTQFJ-AEFFLSMTSA-N 0 0 379.460 3.941 10 0 GHAERN O=C(N[C@H](c1ccsc1)c1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000105188313 884665912 /nfs/dbraw/zinc/66/59/12/884665912.db2.gz URZUSORSBGBJDN-SFHVURJKSA-N 0 0 375.925 3.981 10 0 GHAERN Cc1nc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)sc1C ZINC000060390994 884783714 /nfs/dbraw/zinc/78/37/14/884783714.db2.gz BYYDSPONTHCPIG-JRQWYPPZSA-N 0 0 387.549 3.906 10 0 GHAERN CSc1ccc(C)c(C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 ZINC000105886106 884900116 /nfs/dbraw/zinc/90/01/16/884900116.db2.gz XVTBVPRMVPGQDZ-UHFFFAOYSA-N 0 0 390.455 3.593 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179890 885987172 /nfs/dbraw/zinc/98/71/72/885987172.db2.gz XPFFBZPLXMBKQI-QFIPXVFZSA-N 0 0 398.470 3.560 10 0 GHAERN CCCOCc1ccccc1CNC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000105155854 886013225 /nfs/dbraw/zinc/01/32/25/886013225.db2.gz BLBHYCOBQCYLFD-HXUWFJFHSA-N 0 0 393.491 3.629 10 0 GHAERN COc1ccccc1CC(C)=CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000106769156 886037100 /nfs/dbraw/zinc/03/71/00/886037100.db2.gz LROOLGQDAXAMRU-IBUXMESJSA-N 0 0 376.460 3.516 10 0 GHAERN COc1ccccc1C[C@H](C)CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000107245687 886045398 /nfs/dbraw/zinc/04/53/98/886045398.db2.gz FRBBJCVKLBXLSB-YCRPNKLZSA-N 0 0 378.476 3.596 10 0 GHAERN CCn1cnnc1C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000107352152 886046990 /nfs/dbraw/zinc/04/69/90/886046990.db2.gz JJINODQEGXEPQL-UHFFFAOYSA-N 0 0 390.487 3.897 10 0 GHAERN CN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)[C@H](c1ccccc1)c1ccccn1 ZINC000109072280 886100279 /nfs/dbraw/zinc/10/02/79/886100279.db2.gz NIKYNMPJBHRINC-TZIWHRDSSA-N 0 0 393.531 3.914 10 0 GHAERN COc1ccc([C@@H](NC(=O)c2cc(C)n(C3CC3)c2C)c2nccn2C)cc1 ZINC000029987416 886234021 /nfs/dbraw/zinc/23/40/21/886234021.db2.gz PGBUMFGYTMOHEB-HXUWFJFHSA-N 0 0 378.476 3.701 10 0 GHAERN Cc1ccc2cccc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)c2n1 ZINC000114579368 886317150 /nfs/dbraw/zinc/31/71/50/886317150.db2.gz SRBQQVOLXXQMJT-UHFFFAOYSA-N 0 0 394.500 3.985 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccco3)CC2)n1 ZINC000116970691 886373828 /nfs/dbraw/zinc/37/38/28/886373828.db2.gz ATFICCXIASMLEJ-UHFFFAOYSA-N 0 0 394.475 3.957 10 0 GHAERN C[C@H](C(=O)Nc1cccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)c1)n1cccn1 ZINC000117605102 886388483 /nfs/dbraw/zinc/38/84/83/886388483.db2.gz NXWXTKVQWQIWII-SXGZJXTBSA-N 0 0 390.443 3.586 10 0 GHAERN Cc1cc2nc(C)c(CCC(=O)N3CC=C(c4cccs4)CC3)c(C)n2n1 ZINC000117720243 886391591 /nfs/dbraw/zinc/39/15/91/886391591.db2.gz OHSCDSMZQHTREL-UHFFFAOYSA-N 0 0 380.517 3.965 10 0 GHAERN Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCCO[C@H]1c1ccc(C)cc1)CCC2 ZINC000332690455 886539232 /nfs/dbraw/zinc/53/92/32/886539232.db2.gz RVWPHSXEQSZAOH-ACRUOGEOSA-N 0 0 396.535 3.844 10 0 GHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H]2CCCn3cc(C)nc32)s1 ZINC000332680183 886539731 /nfs/dbraw/zinc/53/97/31/886539731.db2.gz HHNTUXFXFCOUNN-CABCVRRESA-N 0 0 375.542 3.799 10 0 GHAERN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000332808076 886549661 /nfs/dbraw/zinc/54/96/61/886549661.db2.gz RYSVKYYZDPFPHA-UOSKARGWSA-N 0 0 395.528 3.520 10 0 GHAERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000332849169 886554915 /nfs/dbraw/zinc/55/49/15/886554915.db2.gz SCTKWYAZVBMIOZ-PKICCIJUSA-N 0 0 388.508 3.516 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)CCC2 ZINC000332864330 886556173 /nfs/dbraw/zinc/55/61/73/886556173.db2.gz YXHNGWQLHRQEEV-RBUKOAKNSA-N 0 0 386.471 3.593 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000332968838 886563967 /nfs/dbraw/zinc/56/39/67/886563967.db2.gz JKNBAMLCOBHSIH-BFHYXJOUSA-N 0 0 386.418 3.957 10 0 GHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124210545 886719626 /nfs/dbraw/zinc/71/96/26/886719626.db2.gz HEMHBOWTCDDCCH-QZTJIDSGSA-N 0 0 383.427 3.794 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCC[C@H]2c2ccncc2)c2ccccc2F)no1 ZINC000124219836 886720651 /nfs/dbraw/zinc/72/06/51/886720651.db2.gz KWQBWRKYFXPRQO-ROUUACIJSA-N 0 0 381.411 3.548 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCCC[C@H]2c2cccn2C)c2ccccc2F)no1 ZINC000124312363 886731850 /nfs/dbraw/zinc/73/18/50/886731850.db2.gz MECDQRQEZWFQLS-RBUKOAKNSA-N 0 0 397.454 3.882 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c2ccccc2F)no1 ZINC000124489512 886755484 /nfs/dbraw/zinc/75/54/84/886755484.db2.gz AGJQKLKSSMFBCZ-FXAWDEMLSA-N 0 0 394.450 3.881 10 0 GHAERN O=C(c1ccc(N2CCCc3ccccc32)cc1)N1CCC(n2cncn2)CC1 ZINC000124609294 886772613 /nfs/dbraw/zinc/77/26/13/886772613.db2.gz AMNIEIDQCCYSBO-UHFFFAOYSA-N 0 0 387.487 3.840 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)c1 ZINC000125636965 886887317 /nfs/dbraw/zinc/88/73/17/886887317.db2.gz NVPGNNZBBQVEFJ-CQSZACIVSA-N 0 0 381.432 3.564 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000126307935 886957103 /nfs/dbraw/zinc/95/71/03/886957103.db2.gz RCRLOEPXMJKFPR-UHFFFAOYSA-N 0 0 387.867 3.603 10 0 GHAERN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1SCc1cccs1 ZINC000127273474 887046399 /nfs/dbraw/zinc/04/63/99/887046399.db2.gz YCTVXNDUYILGLV-MRXNPFEDSA-N 0 0 388.558 3.633 10 0 GHAERN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000046335248 887181088 /nfs/dbraw/zinc/18/10/88/887181088.db2.gz ULPRWAJSLOEQDC-WMLDXEAASA-N 0 0 388.899 3.789 10 0 GHAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(Nc2ccccc2F)CC1 ZINC000128976744 887246580 /nfs/dbraw/zinc/24/65/80/887246580.db2.gz QPOBMLIRWHKMEP-ZDUSSCGKSA-N 0 0 376.863 3.778 10 0 GHAERN COc1cc(F)c(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1OC ZINC000129345181 887286539 /nfs/dbraw/zinc/28/65/39/887286539.db2.gz FCAHGGQDBBXBQN-UHFFFAOYSA-N 0 0 396.422 3.690 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)C2)cc1 ZINC000130565714 887448228 /nfs/dbraw/zinc/44/82/28/887448228.db2.gz GQSLJDJIUNTXCJ-PKOBYXMFSA-N 0 0 396.539 3.513 10 0 GHAERN CCCCc1ccc([C@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105092431 887558631 /nfs/dbraw/zinc/55/86/31/887558631.db2.gz KPAZRQIKWYENPM-FQEVSTJZSA-N 0 0 385.533 3.712 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1csc(-c2ccco2)n1 ZINC000131732457 887569921 /nfs/dbraw/zinc/56/99/21/887569921.db2.gz ZYNKCZGBPXRSLO-HNNXBMFYSA-N 0 0 385.470 3.522 10 0 GHAERN O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccn2)ccc1Cl ZINC000131859629 887583081 /nfs/dbraw/zinc/58/30/81/887583081.db2.gz ANTOPIFIUQZVQA-UHFFFAOYSA-N 0 0 394.862 3.886 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2)[nH]1 ZINC000132028678 887601313 /nfs/dbraw/zinc/60/13/13/887601313.db2.gz IFMXNRZGPPBRPN-OAHLLOKOSA-N 0 0 376.247 3.522 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000050366889 887665526 /nfs/dbraw/zinc/66/55/26/887665526.db2.gz SXBJLGNVUCHXBG-AWEZNQCLSA-N 0 0 394.443 3.518 10 0 GHAERN CSc1ccc(O[C@@H](C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000132519180 887666851 /nfs/dbraw/zinc/66/68/51/887666851.db2.gz XNSRZPYKZMFJTF-INIZCTEOSA-N 0 0 385.533 3.664 10 0 GHAERN COc1ccc(-c2nc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)cs2)cc1 ZINC000133612607 887784253 /nfs/dbraw/zinc/78/42/53/887784253.db2.gz WQJNVXDTMHOILA-GOSISDBHSA-N 0 0 384.457 3.934 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000134326409 887860786 /nfs/dbraw/zinc/86/07/86/887860786.db2.gz AUEFXQJIZXFJRR-UNMCSNQZSA-N 0 0 389.499 3.524 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N[C@@H]1CCCc2sccc21 ZINC000135252346 888225369 /nfs/dbraw/zinc/22/53/69/888225369.db2.gz LIGBRNQNOVMAGP-AYOQOUSVSA-N 0 0 384.549 3.730 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(Br)c1 ZINC000136915435 888324383 /nfs/dbraw/zinc/32/43/83/888324383.db2.gz HVZJZXQKTSXPDA-AWEZNQCLSA-N 0 0 376.254 3.838 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137117425 888334328 /nfs/dbraw/zinc/33/43/28/888334328.db2.gz CEAZGQJNYBLYDH-OAHLLOKOSA-N 0 0 376.254 3.838 10 0 GHAERN C[C@H](CC(=O)N1CCC(c2nc(N(C)C)no2)CC1)Cc1ccc(Cl)cc1 ZINC000193963132 888544911 /nfs/dbraw/zinc/54/49/11/888544911.db2.gz UAEAMQGYLJJNSG-AWEZNQCLSA-N 0 0 390.915 3.764 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000193990628 888546746 /nfs/dbraw/zinc/54/67/46/888546746.db2.gz QAXLPNLTHUAAGG-IBGZPJMESA-N 0 0 384.501 3.857 10 0 GHAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194046591 888549877 /nfs/dbraw/zinc/54/98/77/888549877.db2.gz ULRMJLMSKSYMEP-TZIWHRDSSA-N 0 0 390.487 3.603 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000194318715 888575957 /nfs/dbraw/zinc/57/59/57/888575957.db2.gz RUDONUBCEDTUFV-WMZOPIPTSA-N 0 0 387.524 3.655 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ccncc1 ZINC000245392846 888744008 /nfs/dbraw/zinc/74/40/08/888744008.db2.gz BTFYSNZDEHLBPE-ZXNZYJFHSA-N 0 0 377.488 3.732 10 0 GHAERN C[C@H](Sc1nc2ccccc2s1)C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000245700071 889281259 /nfs/dbraw/zinc/28/12/59/889281259.db2.gz NDTYMKRCMRKOIB-NJZAAPMLSA-N 0 0 380.560 3.510 10 0 GHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245724980 889470721 /nfs/dbraw/zinc/47/07/21/889470721.db2.gz ABHLYWYAIRQMKD-XUVXKRRUSA-N 0 0 386.492 3.571 10 0 GHAERN CCCNC(=O)c1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1Cl ZINC000245784525 889719408 /nfs/dbraw/zinc/71/94/08/889719408.db2.gz HXTKDIXBGFOMBQ-USXIJHARSA-N 0 0 391.899 3.559 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 ZINC000245974672 890115419 /nfs/dbraw/zinc/11/54/19/890115419.db2.gz WTTUZPSAAXUCAO-CVEARBPZSA-N 0 0 390.530 3.647 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1[nH]c2ccccc2c1Br ZINC000246266141 890890460 /nfs/dbraw/zinc/89/04/60/890890460.db2.gz ZMKWEHPEUMJFHT-HFBAOOFYSA-N 0 0 375.266 3.618 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1[nH]c2ccccc2c1Br ZINC000246266160 890890583 /nfs/dbraw/zinc/89/05/83/890890583.db2.gz ZMKWEHPEUMJFHT-IUIKQTSFSA-N 0 0 375.266 3.618 10 0 GHAERN O=C(NCC1(Sc2ccccc2)CCCC1)N1CCC(n2cncn2)CC1 ZINC000069504401 891201020 /nfs/dbraw/zinc/20/10/20/891201020.db2.gz UEYIHGOHXGOXKD-UHFFFAOYSA-N 0 0 385.537 3.730 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)c1ccc(-n2cccn2)cc1 ZINC000246513578 891280853 /nfs/dbraw/zinc/28/08/53/891280853.db2.gz IFNJOKDHTFUPPN-FFZOFVMBSA-N 0 0 394.475 3.824 10 0 GHAERN O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1c(Cl)cccc1C(F)(F)F ZINC000246525373 891282573 /nfs/dbraw/zinc/28/25/73/891282573.db2.gz ABWUPJYWVYQVHF-CHWSQXEVSA-N 0 0 394.846 3.504 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246781650 891307080 /nfs/dbraw/zinc/30/70/80/891307080.db2.gz ZIQRJXNNPHODSB-CZTZKLFOSA-N 0 0 377.488 3.612 10 0 GHAERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000246809818 891308273 /nfs/dbraw/zinc/30/82/73/891308273.db2.gz YNUPBXUTUIXQDB-SLYNCCJLSA-N 0 0 395.503 3.559 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247086960 891343431 /nfs/dbraw/zinc/34/34/31/891343431.db2.gz DMGBTGDRCFULJL-JTDSTZFVSA-N 0 0 387.911 3.529 10 0 GHAERN CCOc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cs2)cc1 ZINC000247258963 891360130 /nfs/dbraw/zinc/36/01/30/891360130.db2.gz GJDHUNSDYIMSDC-IPMKNSEASA-N 0 0 386.517 3.825 10 0 GHAERN CC(C)CO[C@H](C)c1noc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270996 891361378 /nfs/dbraw/zinc/36/13/78/891361378.db2.gz WIPGBIJLROVKHK-OWCLPIDISA-N 0 0 379.526 3.953 10 0 GHAERN CCN(CC)C(=O)c1ccc(CNC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000247273738 891361550 /nfs/dbraw/zinc/36/15/50/891361550.db2.gz SKKMJBOEFOQNLT-YPAWHYETSA-N 0 0 391.515 3.554 10 0 GHAERN CC(=O)N(c1nc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)cs1)C1CC1 ZINC000247272467 891361565 /nfs/dbraw/zinc/36/15/65/891361565.db2.gz WKVZSWNJQDEGCG-DLBZAZTESA-N 0 0 391.562 3.808 10 0 GHAERN O=C(Nc1nc(-c2cccnc2)cs1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000247516512 891381584 /nfs/dbraw/zinc/38/15/84/891381584.db2.gz VVKPEKFURHNCKW-CQSZACIVSA-N 0 0 398.513 3.758 10 0 GHAERN Cc1c(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cccc1C(=O)N1CCCC1 ZINC000247668917 891391152 /nfs/dbraw/zinc/39/11/52/891391152.db2.gz ZDBGCDKTVSKJON-KCZVDYSFSA-N 0 0 389.499 3.938 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000247943519 891402747 /nfs/dbraw/zinc/40/27/47/891402747.db2.gz GXCVPVPIXDVTHO-FKBYEOEOSA-N 0 0 398.547 3.530 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000248659757 891453377 /nfs/dbraw/zinc/45/33/77/891453377.db2.gz GVVYBALOCZGZAH-CAOSSQGBSA-N 0 0 396.553 3.712 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](SCc2ccccc2)C(C)C)C1 ZINC000248983768 891486211 /nfs/dbraw/zinc/48/62/11/891486211.db2.gz ULSWOAXSKJVYOV-KURKYZTESA-N 0 0 389.521 3.624 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000249054036 891490649 /nfs/dbraw/zinc/49/06/49/891490649.db2.gz OPXFLKUNBHTVBO-QFBILLFUSA-N 0 0 377.492 3.605 10 0 GHAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000249754988 891520243 /nfs/dbraw/zinc/52/02/43/891520243.db2.gz JJCASDIWAJFODJ-SFHLNBCPSA-N 0 0 390.487 3.603 10 0 GHAERN CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1Cc2ccccc2[C@H]1O ZINC000252736278 891732132 /nfs/dbraw/zinc/73/21/32/891732132.db2.gz TWEJTSRLMHTESH-PKOBYXMFSA-N 0 0 378.394 3.624 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000332957161 893372833 /nfs/dbraw/zinc/37/28/33/893372833.db2.gz CANXYJQRORIEGW-FSSWDIPSSA-N 0 0 396.487 3.704 10 0 GHAERN O=C(NCCCCOCc1ccccc1)C(=O)Nc1cc(F)ccc1Cl ZINC000102814701 898036623 /nfs/dbraw/zinc/03/66/23/898036623.db2.gz WFBVSXDPFCYQFS-UHFFFAOYSA-N 0 0 378.831 3.531 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCCc1nc2ccccc2n1CC ZINC000105202132 898200814 /nfs/dbraw/zinc/20/08/14/898200814.db2.gz XZNPLNUFJRXDNK-UHFFFAOYSA-N 0 0 379.508 3.658 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C[C@H]1CCCO1 ZINC000105598792 898214809 /nfs/dbraw/zinc/21/48/09/898214809.db2.gz AQNHOZAZMDTQBD-CQSZACIVSA-N 0 0 376.840 3.745 10 0 GHAERN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2)C1 ZINC000333259316 901948943 /nfs/dbraw/zinc/94/89/43/901948943.db2.gz FLFYFVSAZKBRSK-KCUHQSDYSA-N 0 0 385.508 3.524 10 0 GHAERN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2)C1 ZINC000333259320 901949185 /nfs/dbraw/zinc/94/91/85/901949185.db2.gz FLFYFVSAZKBRSK-YGWPLHOASA-N 0 0 385.508 3.524 10 0 GHAERN CC1(c2nc(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)no2)CCC(=O)CC1 ZINC000333377280 902047469 /nfs/dbraw/zinc/04/74/69/902047469.db2.gz AJIBPMVTGAJABI-UHFFFAOYSA-N 0 0 398.488 3.650 10 0 GHAERN O=C(C[C@@H]1CCOc2ccccc21)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000333530770 902166661 /nfs/dbraw/zinc/16/66/61/902166661.db2.gz YAFKMTODXOAMIK-KGLIPLIRSA-N 0 0 393.409 3.537 10 0 GHAERN O=C(C[C@@H]1CCOc2ccccc21)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000333530769 902166701 /nfs/dbraw/zinc/16/67/01/902166701.db2.gz YAFKMTODXOAMIK-KBPBESRZSA-N 0 0 393.409 3.537 10 0 GHAERN O=C(CN1NC(=O)CC12CCCCC2)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000333823829 902350370 /nfs/dbraw/zinc/35/03/70/902350370.db2.gz JMUOJULUEWRYQX-OAQYLSRUSA-N 0 0 387.499 3.613 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333886711 902399217 /nfs/dbraw/zinc/39/92/17/902399217.db2.gz FZAVIKDMAADDMZ-SQWLQELKSA-N 0 0 395.956 3.518 10 0 GHAERN CC(C)CCO[C@H]1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000175160699 905466686 /nfs/dbraw/zinc/46/66/86/905466686.db2.gz NWKWCIAFXVWFOI-SFHVURJKSA-N 0 0 385.508 3.708 10 0 GHAERN Cc1ccc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(Br)c1 ZINC000185877429 907845995 /nfs/dbraw/zinc/84/59/95/907845995.db2.gz SKSXFEMXUGHOTB-HNNXBMFYSA-N 0 0 377.286 3.562 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(-c2nc(C3CC3)no2)c1 ZINC000186346547 907911861 /nfs/dbraw/zinc/91/18/61/907911861.db2.gz DUOBTJCDEQCSQB-INIZCTEOSA-N 0 0 393.451 3.800 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCCNC(=O)c2ccc(Cl)cc2)cs1 ZINC000187095973 908036667 /nfs/dbraw/zinc/03/66/67/908036667.db2.gz LTNPNWIAZAJNBW-KRWDZBQOSA-N 0 0 391.924 3.979 10 0 GHAERN COCCOc1cc(C)ccc1CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187132174 908043716 /nfs/dbraw/zinc/04/37/16/908043716.db2.gz OTHKHHOIFMIFFA-SFHVURJKSA-N 0 0 389.521 3.832 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000189075936 908279115 /nfs/dbraw/zinc/27/91/15/908279115.db2.gz JQAIGYVVKZFAQQ-DZGCQCFKSA-N 0 0 384.263 3.606 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2csc3ccccc23)C1 ZINC000189087514 908281657 /nfs/dbraw/zinc/28/16/57/908281657.db2.gz VIKHRJUKIOFQAV-DOTOQJQBSA-N 0 0 385.489 3.904 10 0 GHAERN CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1Br ZINC000189483567 908330532 /nfs/dbraw/zinc/33/05/32/908330532.db2.gz WWDJSMFSRBXMID-CYBMUJFWSA-N 0 0 394.273 3.725 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000190029450 908408723 /nfs/dbraw/zinc/40/87/23/908408723.db2.gz HHNYLMOTVBCSHE-ZWNOBZJWSA-N 0 0 389.761 3.652 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000190066398 908417682 /nfs/dbraw/zinc/41/76/82/908417682.db2.gz YVLXCWWOUNXTBG-PMACEKPBSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000190078917 908420944 /nfs/dbraw/zinc/42/09/44/908420944.db2.gz YKRRRPAXHPUYIA-PMACEKPBSA-N 0 0 379.460 3.843 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Br)c(Cl)s2)C1 ZINC000191546102 908640936 /nfs/dbraw/zinc/64/09/36/908640936.db2.gz LEWYCKPRNHBTFH-KWQFWETISA-N 0 0 392.706 3.817 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000192419493 908784287 /nfs/dbraw/zinc/78/42/87/908784287.db2.gz YUIBQPFHUNKELJ-CYBMUJFWSA-N 0 0 378.274 3.622 10 0 GHAERN CSCCCCCCNC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184026901 1014570604 /nfs/dbraw/zinc/57/06/04/1014570604.db2.gz ZUJGAJIGHSIZRV-LJQANCHMSA-N 0 0 395.544 3.842 10 0 GHAERN Cc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 ZINC000003814699 209455362 /nfs/dbraw/zinc/45/53/62/209455362.db2.gz QGNNQDAQBISHQG-UHFFFAOYSA-N 0 0 381.379 3.514 10 0 GHAERN O=c1c2nc(-c3ccccc3)oc2n(-c2ccccc2)c(=O)n1-c1ccccc1 ZINC000001857861 209341705 /nfs/dbraw/zinc/34/17/05/209341705.db2.gz QEGGWTVFHIIHKY-UHFFFAOYSA-N 0 0 381.391 3.797 10 0 GHAERN Cc1c(C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1 ZINC000035086859 209245651 /nfs/dbraw/zinc/24/56/51/209245651.db2.gz NMKIYJWRGBNSRT-UHFFFAOYSA-N 0 0 378.247 3.762 10 0 GHAERN Cc1ccccc1NC(=O)c1nnc2cc(-c3ccc(Cl)cc3)nn2c1N ZINC000001408821 212060804 /nfs/dbraw/zinc/06/08/04/212060804.db2.gz ZZQXJLWKRBBZDK-UHFFFAOYSA-N 0 0 378.823 3.588 10 0 GHAERN COc1ccc2c(c1)[nH]c1c2CCN2C[C@H]3[C@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801872 211283025 /nfs/dbraw/zinc/28/30/25/211283025.db2.gz YRWVTQHOXFHJIY-DHLMPNOKSA-N 0 0 382.460 3.535 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CS(=O)(=O)Cc1cnc(Cl)s1 ZINC000095086752 211219655 /nfs/dbraw/zinc/21/96/55/211219655.db2.gz JYSOCYSYNYMJFW-LLVKDONJSA-N 0 0 394.946 3.501 10 0 GHAERN O[C@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Br)cc2)C1 ZINC000095078251 211218586 /nfs/dbraw/zinc/21/85/86/211218586.db2.gz WEKUOWQTJJIIFO-INIZCTEOSA-N 0 0 386.293 3.808 10 0 GHAERN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCN(c2cccc(F)c2)C1=O ZINC000037575374 210743339 /nfs/dbraw/zinc/74/33/39/210743339.db2.gz GYJLXUMCHHQJRF-INIZCTEOSA-N 0 0 380.341 3.514 10 0 GHAERN CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2ccnn2C)O3)cc1 ZINC000020776970 210360645 /nfs/dbraw/zinc/36/06/45/210360645.db2.gz VSADWHBIPCOCEM-QGZVFWFLSA-N 0 0 379.485 3.543 10 0 GHAERN COc1cc(/C=C2\CCCC(C)(C)[C@]2(O)Cn2ccnc2)cc(OC)c1OC ZINC000020568386 210348179 /nfs/dbraw/zinc/34/81/79/210348179.db2.gz FNJIDFGLYIDTEK-BVZCLVNKSA-N 0 0 386.492 3.934 10 0 GHAERN Nc1nnc(CNC(=O)c2ccccc2SCCCc2ccccc2)s1 ZINC000020202437 210322007 /nfs/dbraw/zinc/32/20/07/210322007.db2.gz GKFOOVMOKFIGRK-UHFFFAOYSA-N 0 0 384.530 3.775 10 0 GHAERN O=C(Nc1ccc2c(c1)ncnc2N1CCCCC1)c1ccc2c(c1)OCO2 ZINC000065135023 136159603 /nfs/dbraw/zinc/15/96/03/136159603.db2.gz LBXQUXJMYJHEES-UHFFFAOYSA-N 0 0 376.416 3.601 10 0 GHAERN O=C(c1ccccc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676045 560094701 /nfs/dbraw/zinc/09/47/01/560094701.db2.gz RULBNALKJMWOBD-SFHVURJKSA-N 0 0 389.390 3.539 10 0 biogenic GHAERN COc1ncccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000011874156 570442254 /nfs/dbraw/zinc/44/22/54/570442254.db2.gz YAXOSFAGNHAGJW-LJQANCHMSA-N 0 0 376.460 3.700 10 0 GHAERN CC(C)CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000036048922 570521341 /nfs/dbraw/zinc/52/13/41/570521341.db2.gz SZYHHKBWRVPHOG-PMACEKPBSA-N 0 0 386.442 3.593 10 0 GHAERN COCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006872335 570664432 /nfs/dbraw/zinc/66/44/32/570664432.db2.gz KLVSFKBLGDKSCG-UHFFFAOYSA-N 0 0 384.436 3.537 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccncc1 ZINC000583614784 570800123 /nfs/dbraw/zinc/80/01/23/570800123.db2.gz ARVIYNANSHTYRU-LVWPNOBMSA-N 0 0 390.487 3.839 10 0 GHAERN COC(=O)c1ccc(CN2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@@H]2C)cc1 ZINC000037521664 571023142 /nfs/dbraw/zinc/02/31/42/571023142.db2.gz LCZKJKVQPCWJCY-HNNXBMFYSA-N 0 0 386.879 3.672 10 0 GHAERN CCc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000105689754 837582166 /nfs/dbraw/zinc/58/21/66/837582166.db2.gz RRZCIFOLNVEENY-HBIPHATFSA-N 0 0 397.500 3.883 10 0 GHAERN COc1cccc(C(=O)NC2CCN(C(=O)CCCc3ccc(C)cc3)CC2)c1 ZINC000044522739 834357120 /nfs/dbraw/zinc/35/71/20/834357120.db2.gz RSKGFIRITQDKIP-UHFFFAOYSA-N 0 0 394.515 3.747 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000156557442 834436256 /nfs/dbraw/zinc/43/62/56/834436256.db2.gz SWKMFCPBBZAPOD-HXUWFJFHSA-N 0 0 384.524 3.552 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccnn3[C@@H](C)C3CC3)C2)c1 ZINC000156618937 834475764 /nfs/dbraw/zinc/47/57/64/834475764.db2.gz ZYFOCFUIRZAGJO-GOEBONIOSA-N 0 0 384.480 3.893 10 0 GHAERN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000156669002 834494209 /nfs/dbraw/zinc/49/42/09/834494209.db2.gz TULVRWHIFZBZRO-UHFFFAOYSA-N 0 0 381.524 3.815 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000156681039 834500714 /nfs/dbraw/zinc/50/07/14/834500714.db2.gz QGTHPELOMOZJRJ-AWEZNQCLSA-N 0 0 386.521 3.617 10 0 GHAERN Cc1csc(C2CCN(Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1 ZINC000156701926 834512872 /nfs/dbraw/zinc/51/28/72/834512872.db2.gz RJCAVEIUCLUFCC-UHFFFAOYSA-N 0 0 386.489 3.827 10 0 GHAERN C[C@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)s1 ZINC000066985016 834731843 /nfs/dbraw/zinc/73/18/43/834731843.db2.gz ZLTMSFNJOLQLGO-ZDUSSCGKSA-N 0 0 383.945 3.897 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1cc(Cl)ccc1Cl)C2 ZINC000113299747 837813217 /nfs/dbraw/zinc/81/32/17/837813217.db2.gz JIRQEDMFHZDOQO-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)NCCc3ccc(Br)s3)C2)c1 ZINC000111810312 834997817 /nfs/dbraw/zinc/99/78/17/834997817.db2.gz JLOWXPVLMHRZIC-ZDUSSCGKSA-N 0 0 397.342 3.605 10 0 GHAERN CCC[C@@H](NC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)C1CCCCC1 ZINC000111854677 835003451 /nfs/dbraw/zinc/00/34/51/835003451.db2.gz ZZXPDPLRXYRSAZ-MAUKXSAKSA-N 0 0 377.533 3.515 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCCOCCc3ccccc3)CC2)nc1 ZINC000157824789 835112397 /nfs/dbraw/zinc/11/23/97/835112397.db2.gz PLDYLDZHRUGMLF-UHFFFAOYSA-N 0 0 381.520 3.515 10 0 GHAERN Cc1c(CC(=O)N2CCCC[C@H]2c2nccs2)nnn1-c1ccc(C)cc1 ZINC000329493038 835140095 /nfs/dbraw/zinc/14/00/95/835140095.db2.gz ZVHKVQAXWNRCTP-SFHVURJKSA-N 0 0 381.505 3.637 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)c3nc(C)n(-c4ccc(F)cc4)n3)C2)sc1C ZINC000329507542 835167579 /nfs/dbraw/zinc/16/75/79/835167579.db2.gz AVTGBGUJBZRBMV-HNNXBMFYSA-N 0 0 399.495 3.808 10 0 GHAERN Cn1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)c2ccccc21 ZINC000329514813 835167796 /nfs/dbraw/zinc/16/77/96/835167796.db2.gz MBEAFZLIJAATDY-GFCCVEGCSA-N 0 0 376.382 3.940 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CSc3nccc4ccccc43)CC2)nc1 ZINC000158122284 835235065 /nfs/dbraw/zinc/23/50/65/835235065.db2.gz JEAXBTFADNLYFH-UHFFFAOYSA-N 0 0 392.528 3.816 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)Nc2cccc(-c3ncon3)c2)n1 ZINC000101525531 835307810 /nfs/dbraw/zinc/30/78/10/835307810.db2.gz VARTWNWJBYKRCN-UHFFFAOYSA-N 0 0 393.428 3.973 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000158565909 835438361 /nfs/dbraw/zinc/43/83/61/835438361.db2.gz KIRJJAOSQIRXNJ-OAHLLOKOSA-N 0 0 384.871 3.719 10 0 GHAERN Brc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000329737583 835820870 /nfs/dbraw/zinc/82/08/70/835820870.db2.gz TWECFWYBYHINMF-YHUYYLMFSA-N 0 0 390.281 3.639 10 0 GHAERN Brc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000329739002 835821632 /nfs/dbraw/zinc/82/16/32/835821632.db2.gz UQQMIRQDEKPSGN-VGWMRTNUSA-N 0 0 390.281 3.639 10 0 GHAERN O=C(c1cccc(OC2CCCCC2)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000329772754 835914687 /nfs/dbraw/zinc/91/46/87/835914687.db2.gz HQHPSCJOZMCIJL-UHFFFAOYSA-N 0 0 394.397 3.664 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000332729527 836492086 /nfs/dbraw/zinc/49/20/86/836492086.db2.gz XVAXEOLJDVNFPY-YRPNKDGESA-N 0 0 381.520 3.556 10 0 GHAERN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000332787958 836622915 /nfs/dbraw/zinc/62/29/15/836622915.db2.gz ISHAGKXMQNYBME-PBHICJAKSA-N 0 0 378.398 3.874 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)c2ccccc21 ZINC000332796806 836641104 /nfs/dbraw/zinc/64/11/04/836641104.db2.gz RFEMSQCJPYOBHG-ZMYBRWDISA-N 0 0 395.507 3.584 10 0 GHAERN CC(C)(C)C[C@@H]1CCCN1C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000102069613 837052244 /nfs/dbraw/zinc/05/22/44/837052244.db2.gz UIWUQLRFZGXMEO-ABHNRTSZSA-N 0 0 395.613 3.731 10 0 GHAERN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)C2)[nH]n1 ZINC000407978564 838364776 /nfs/dbraw/zinc/36/47/76/838364776.db2.gz ZZMYMUABJKDPDL-SNVBAGLBSA-N 0 0 392.283 3.732 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Cl)ccc2Br)[nH]1 ZINC000407980792 838378059 /nfs/dbraw/zinc/37/80/59/838378059.db2.gz NGNDJFXGGORZKK-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(C)c(Br)cc2C)[nH]1 ZINC000407981911 838387344 /nfs/dbraw/zinc/38/73/44/838387344.db2.gz VZJMSXXTERVXNK-OAHLLOKOSA-N 0 0 377.286 3.860 10 0 GHAERN Cc1ccccc1-n1nc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c2c1CCC2 ZINC000113887238 838422182 /nfs/dbraw/zinc/42/21/82/838422182.db2.gz ASDNUTMARNRBBP-IBGZPJMESA-N 0 0 375.476 3.760 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1CCc2ccc(O)cc2C1 ZINC000408002018 838517842 /nfs/dbraw/zinc/51/78/42/838517842.db2.gz JWHQQMCJZKMKFE-SFHVURJKSA-N 0 0 387.277 3.910 10 0 GHAERN CC(C)c1cc(Br)ccc1NC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408013246 838576135 /nfs/dbraw/zinc/57/61/35/838576135.db2.gz KCMASLVVAMTEDM-GOSISDBHSA-N 0 0 394.313 3.707 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(F)cc1F ZINC000042806971 838583727 /nfs/dbraw/zinc/58/37/27/838583727.db2.gz URHWDOXTTFAHBU-UONOGXRCSA-N 0 0 385.418 3.658 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000123329044 839026730 /nfs/dbraw/zinc/02/67/30/839026730.db2.gz AHYFHQINAVMQIH-LJQANCHMSA-N 0 0 383.517 3.642 10 0 GHAERN CCc1ccccc1N1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O ZINC000303655089 839085015 /nfs/dbraw/zinc/08/50/15/839085015.db2.gz VCOVNUPUHFVHIK-SJLPKXTDSA-N 0 0 383.517 3.812 10 0 GHAERN COC(=O)c1cc(NC(=O)/C=C\c2ccnc(Cl)c2)ccc1Br ZINC000588382943 839839125 /nfs/dbraw/zinc/83/91/25/839839125.db2.gz DAOFOKRCCUZYIZ-DJWKRKHSSA-N 0 0 395.640 3.936 10 0 GHAERN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330141367 839922017 /nfs/dbraw/zinc/92/20/17/839922017.db2.gz PYRISFJXTFDOIK-WWMYMODYSA-N 0 0 391.581 3.824 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCOC[C@@H]4[C@@H]4CCCC[C@H]4O)cc3c2C1 ZINC000408096010 840190118 /nfs/dbraw/zinc/19/01/18/840190118.db2.gz UKRRZXSSPYMVOE-CIVZFWGOSA-N 0 0 396.531 3.685 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O)C12CC3CC(CC(C3)C1)C2 ZINC000332780569 844567044 /nfs/dbraw/zinc/56/70/44/844567044.db2.gz SYVPPQIADUEDAJ-YHHAHGCBSA-N 0 0 390.568 3.553 10 0 GHAERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000333305983 844579443 /nfs/dbraw/zinc/57/94/43/844579443.db2.gz CUHXCQHWKHQWAE-OALUTQOASA-N 0 0 385.556 3.720 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000408114877 840965324 /nfs/dbraw/zinc/96/53/24/840965324.db2.gz JHJQGXYZAHKUGG-CQSZACIVSA-N 0 0 378.881 3.532 10 0 GHAERN Cc1nc2scc(CC(C)C)c2c(N2CCCN(c3cccnn3)CC2)n1 ZINC000301239358 841160182 /nfs/dbraw/zinc/16/01/82/841160182.db2.gz NEDLPGMCFKPRQF-UHFFFAOYSA-N 0 0 382.537 3.705 10 0 GHAERN Brc1ccc(-c2noc(CN3CCO[C@H]4CCCC[C@H]43)n2)s1 ZINC000246438306 841307958 /nfs/dbraw/zinc/30/79/58/841307958.db2.gz WFDIGMSENUUQRL-MNOVXSKESA-N 0 0 384.299 3.704 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000120019303 841310638 /nfs/dbraw/zinc/31/06/38/841310638.db2.gz LZORMGOKWAUVIO-ZHRRBRCNSA-N 0 0 382.508 3.657 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330241546 841461671 /nfs/dbraw/zinc/46/16/71/841461671.db2.gz JAWPEGUCCJXWQO-LPHOPBHVSA-N 0 0 391.537 3.658 10 0 GHAERN Cc1cc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)nn1-c1ccccc1Cl ZINC000329260550 861216037 /nfs/dbraw/zinc/21/60/37/861216037.db2.gz DSQSBLWIKKBEEG-LXZKKBNFSA-N 0 0 384.867 3.934 10 0 GHAERN O=C(Nc1cc(Cl)ccn1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000408167893 841649904 /nfs/dbraw/zinc/64/99/04/841649904.db2.gz ZHHWAIWUWQFGIC-BFKIHDCISA-N 0 0 387.911 3.881 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1 ZINC000330245006 841842230 /nfs/dbraw/zinc/84/22/30/841842230.db2.gz KMSLXIWBRPACKH-OXJNMPFZSA-N 0 0 384.501 3.526 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000588422439 841916698 /nfs/dbraw/zinc/91/66/98/841916698.db2.gz RKPBZPBIEFGQKH-WAYWQWQTSA-N 0 0 389.402 3.549 10 0 GHAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000408289555 842094006 /nfs/dbraw/zinc/09/40/06/842094006.db2.gz HMJVBWKTXZLLGX-GFCCVEGCSA-N 0 0 399.969 3.858 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408191081 842205930 /nfs/dbraw/zinc/20/59/30/842205930.db2.gz FQAGCLUZZUDGNH-WJFTUGDTSA-N 0 0 376.472 3.765 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CC2)oc1C ZINC000153091785 842293350 /nfs/dbraw/zinc/29/33/50/842293350.db2.gz HTRWNIKKNZWSQH-QRWLVFNGSA-N 0 0 382.508 3.757 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000111784725 842553534 /nfs/dbraw/zinc/55/35/34/842553534.db2.gz LSKSSJSHLVUMNL-OAQYLSRUSA-N 0 0 389.411 3.844 10 0 GHAERN CCN(C(=O)Cc1ccc(NC(=O)/C=C\c2ccncn2)cc1)c1ccccc1 ZINC000588438047 842728620 /nfs/dbraw/zinc/72/86/20/842728620.db2.gz KYNJZVWMKXETJN-SEYXRHQNSA-N 0 0 386.455 3.724 10 0 GHAERN COc1cc([C@H](C)NC(=O)/C=C\c2ccncn2)ccc1OCc1ccccc1 ZINC000588438086 842729489 /nfs/dbraw/zinc/72/94/89/842729489.db2.gz YJFDTIWCFATDHT-CCCPALQASA-N 0 0 389.455 3.955 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(OC(F)(F)F)cc1Br ZINC000588441014 842751322 /nfs/dbraw/zinc/75/13/22/842751322.db2.gz IROLONMJHIATMY-RJRFIUFISA-N 0 0 388.143 3.790 10 0 GHAERN O=C(c1cc(Br)cc2cccnc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328882971 842791240 /nfs/dbraw/zinc/79/12/40/842791240.db2.gz MBRLZVYANCYYIH-IFXJQAMLSA-N 0 0 389.293 3.765 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000184585344 842861788 /nfs/dbraw/zinc/86/17/88/842861788.db2.gz KPYGDSCMUAFHHH-FZKQIMNGSA-N 0 0 397.313 3.925 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccnc(OCC(F)(F)F)c3)CC2)n1 ZINC000163103141 842965330 /nfs/dbraw/zinc/96/53/30/842965330.db2.gz NMDCSJJJSSLVIR-UHFFFAOYSA-N 0 0 385.411 3.807 10 0 GHAERN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000328945190 843059702 /nfs/dbraw/zinc/05/97/02/843059702.db2.gz JNCDLAUGTOFGTR-AEFFLSMTSA-N 0 0 383.492 3.678 10 0 GHAERN COc1ccc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c2ccccc12 ZINC000112306905 843351622 /nfs/dbraw/zinc/35/16/22/843351622.db2.gz APPSMIIXLCPLHI-UHFFFAOYSA-N 0 0 394.496 3.898 10 0 GHAERN C[C@H](CC1CC1)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000112609585 843355984 /nfs/dbraw/zinc/35/59/84/843355984.db2.gz OJZXYGQCEHKHOH-CYBMUJFWSA-N 0 0 393.325 3.606 10 0 GHAERN COc1cc(N[C@@H]2CCCN(C(=O)/C=C\c3ncccc3C)C2)cc(OC)c1 ZINC000588455614 843357207 /nfs/dbraw/zinc/35/72/07/843357207.db2.gz NSDLPSFHNBRURP-XZVRFQMRSA-N 0 0 381.476 3.524 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121943752 843533285 /nfs/dbraw/zinc/53/32/85/843533285.db2.gz ZGLLORHVPGVKSM-QLJPJBMISA-N 0 0 389.240 3.886 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1cccc(C(F)(F)F)c1 ZINC000330308329 843647594 /nfs/dbraw/zinc/64/75/94/843647594.db2.gz MGKQFACRQZDKTC-XJKSGUPXSA-N 0 0 391.393 3.574 10 0 GHAERN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408407047 843945574 /nfs/dbraw/zinc/94/55/74/843945574.db2.gz PGWUOYOMPFZFEO-ORAYPTAESA-N 0 0 394.302 3.946 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333065643 843957712 /nfs/dbraw/zinc/95/77/12/843957712.db2.gz TZUWBBRYKMQSCB-JXQTWKCFSA-N 0 0 380.476 3.852 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC000333343110 844873696 /nfs/dbraw/zinc/87/36/96/844873696.db2.gz UCTCOAXXPHPMLN-SNRMKQJTSA-N 0 0 378.538 3.622 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000246876067 844940346 /nfs/dbraw/zinc/94/03/46/844940346.db2.gz SVTGMCIWISDCTC-MCIONIFRSA-N 0 0 380.370 3.561 10 0 GHAERN Cc1csc2c1ncnc2N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000329480696 861514510 /nfs/dbraw/zinc/51/45/10/861514510.db2.gz VQXRNXZNIANGHM-OAHLLOKOSA-N 0 0 381.505 3.653 10 0 GHAERN CCS[C@H]1CC[C@H](N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)C1 ZINC000151571313 845252182 /nfs/dbraw/zinc/25/21/82/845252182.db2.gz QOAFTTKOVBEGES-ROUUACIJSA-N 0 0 376.570 3.674 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000248960651 845480878 /nfs/dbraw/zinc/48/08/78/845480878.db2.gz MOBBFPQDZJCWLC-QKPAOTATSA-N 0 0 396.274 3.777 10 0 GHAERN Cc1c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1ccc2ncccc2c1 ZINC000333517215 845655616 /nfs/dbraw/zinc/65/56/16/845655616.db2.gz NCPZLHDSEIXXLH-YMXCIHAJSA-N 0 0 387.487 3.632 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)CCO2)o1 ZINC000151805085 845802367 /nfs/dbraw/zinc/80/23/67/845802367.db2.gz WPSRRAVZYDPVTE-GOSISDBHSA-N 0 0 398.438 3.645 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)CCO2)o1 ZINC000151804985 845802560 /nfs/dbraw/zinc/80/25/60/845802560.db2.gz WPSRRAVZYDPVTE-SFHVURJKSA-N 0 0 398.438 3.645 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000105005070 845924757 /nfs/dbraw/zinc/92/47/57/845924757.db2.gz DSVBIWXKGLWGPN-NRFANRHFSA-N 0 0 392.503 3.780 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000588506558 846435766 /nfs/dbraw/zinc/43/57/66/846435766.db2.gz TYVSAQNUEYGREH-IHWYPQMZSA-N 0 0 383.757 3.765 10 0 GHAERN CC(C)C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152302410 846650989 /nfs/dbraw/zinc/65/09/89/846650989.db2.gz LLOVGRRARUQQTN-GOEBONIOSA-N 0 0 384.517 3.900 10 0 GHAERN CC(C)C[C@@H]1CCCCN1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152302502 846651292 /nfs/dbraw/zinc/65/12/92/846651292.db2.gz LLOVGRRARUQQTN-ZBFHGGJFSA-N 0 0 384.517 3.900 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(n3cncn3)CC2)c1 ZINC000119840900 847349480 /nfs/dbraw/zinc/34/94/80/847349480.db2.gz FLOORESYVHBPNU-UHFFFAOYSA-N 0 0 390.875 3.539 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@H]3Oc4ccccc4NC3=O)C2)sc1C ZINC000329625562 861813875 /nfs/dbraw/zinc/81/38/75/861813875.db2.gz SVTOVWLUZSMTER-WMLDXEAASA-N 0 0 385.489 3.905 10 0 GHAERN COc1cc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c(OC)cc1Cl ZINC000153067765 848081706 /nfs/dbraw/zinc/08/17/06/848081706.db2.gz PVYMVGWLXNCANV-KRWDZBQOSA-N 0 0 380.828 3.864 10 0 GHAERN C[C@]1(C(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1(Cl)Cl ZINC000153427854 848484905 /nfs/dbraw/zinc/48/49/05/848484905.db2.gz IJFKXKVNCDXDLE-SWLSCSKDSA-N 0 0 380.218 3.772 10 0 GHAERN COc1ccc(OC(F)F)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153440864 848505095 /nfs/dbraw/zinc/50/50/95/848505095.db2.gz CQMGPZIFHWZRAL-INIZCTEOSA-N 0 0 382.363 3.803 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000329115961 848610456 /nfs/dbraw/zinc/61/04/56/848610456.db2.gz SYTIQTXRQKDBFP-IRXDYDNUSA-N 0 0 387.480 3.697 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C)c(C(=O)NC(C)C)c3)CCO2)o1 ZINC000154031849 849161930 /nfs/dbraw/zinc/16/19/30/849161930.db2.gz JJHPVJPGKMQESV-IBGZPJMESA-N 0 0 385.464 3.640 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1Cl ZINC000154153701 849195931 /nfs/dbraw/zinc/19/59/31/849195931.db2.gz HDDOJDUCAAPVNX-MRXNPFEDSA-N 0 0 378.812 3.633 10 0 GHAERN Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)N1CCC(n2cncn2)CC1 ZINC000154195006 849216674 /nfs/dbraw/zinc/21/66/74/849216674.db2.gz VZVRTHMVYLMQDH-LJQANCHMSA-N 0 0 395.532 3.979 10 0 GHAERN O=C(CCCc1ccc(F)c(F)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000154391408 849272998 /nfs/dbraw/zinc/27/29/98/849272998.db2.gz UTJLRQAWWMSAQK-UHFFFAOYSA-N 0 0 392.471 3.724 10 0 GHAERN Cc1csc(C2CCN([C@H](C(N)=O)c3cccc(Br)c3)CC2)n1 ZINC000155366886 849501411 /nfs/dbraw/zinc/50/14/11/849501411.db2.gz FDDKAQWPJNNKRT-HNNXBMFYSA-N 0 0 394.338 3.620 10 0 GHAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329691670 862091905 /nfs/dbraw/zinc/09/19/05/862091905.db2.gz ZTOYLIDFMDSJDO-WCQYABFASA-N 0 0 392.381 3.910 10 0 GHAERN COc1cc(Cc2noc([C@H]3C[C@@H]3C3CCCCC3)n2)ccc1S(C)(=O)=O ZINC000329701068 862153553 /nfs/dbraw/zinc/15/35/53/862153553.db2.gz HFVDZMZLUIBDQP-CVEARBPZSA-N 0 0 390.505 3.756 10 0 GHAERN CCCN(Cc1nnc(-c2ccccc2)n1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000101549056 851671276 /nfs/dbraw/zinc/67/12/76/851671276.db2.gz STPABWHDWBERLM-QGZVFWFLSA-N 0 0 377.492 3.721 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](CCCc2ccccc2)c2ccccc2)n1 ZINC000101618438 851756499 /nfs/dbraw/zinc/75/64/99/851756499.db2.gz JBEZFEZXCAVXOX-HXUWFJFHSA-N 0 0 378.476 3.984 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CC(C)(C)Oc3ccccc31)C2 ZINC000121063315 851796070 /nfs/dbraw/zinc/79/60/70/851796070.db2.gz ZFTSDUYMFOLUPF-INIZCTEOSA-N 0 0 382.508 3.914 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101746852 851865835 /nfs/dbraw/zinc/86/58/35/851865835.db2.gz FDNCKPMIKLKNEF-CQSZACIVSA-N 0 0 379.476 3.629 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c(C)c1 ZINC000101747980 851866547 /nfs/dbraw/zinc/86/65/47/851866547.db2.gz OHQXFCWFCDLVPA-INIZCTEOSA-N 0 0 375.513 3.798 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](c2cccs2)c2ccc3c(c2)CCCC3)n1 ZINC000101777579 851900655 /nfs/dbraw/zinc/90/06/55/851900655.db2.gz JBAYSQUCGXDEFB-HXUWFJFHSA-N 0 0 396.516 3.950 10 0 GHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000102026500 852128010 /nfs/dbraw/zinc/12/80/10/852128010.db2.gz LCRCCFMXMCESHZ-SFHVURJKSA-N 0 0 387.568 3.855 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000329843813 862367792 /nfs/dbraw/zinc/36/77/92/862367792.db2.gz XNASETKVJCZXRR-JBACZVJFSA-N 0 0 394.519 3.795 10 0 GHAERN Cn1cnc(-c2cccc(NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)c2)n1 ZINC000180868203 862380354 /nfs/dbraw/zinc/38/03/54/862380354.db2.gz IDKWRJJEAJIWLR-UHFFFAOYSA-N 0 0 378.823 3.778 10 0 GHAERN C[C@H]1CCCN(c2cc(NC[C@H]3CCc4nc(C(F)(F)F)cn4C3)ncn2)C1 ZINC000330049303 862531149 /nfs/dbraw/zinc/53/11/49/862531149.db2.gz KQQFHDKEDQRKGJ-UONOGXRCSA-N 0 0 394.445 3.603 10 0 GHAERN Cc1cc(N2CCSCC2)ccc1NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330056910 862539195 /nfs/dbraw/zinc/53/91/95/862539195.db2.gz WPHQMMVHGLLTPB-AZUAARDMSA-N 0 0 383.517 3.660 10 0 GHAERN COc1ccsc1S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122969761 854317426 /nfs/dbraw/zinc/31/74/26/854317426.db2.gz ZKJCDQFHWZUKRF-CQSZACIVSA-N 0 0 379.503 3.872 10 0 GHAERN C[C@@H]1CC(=O)CC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330080351 862560256 /nfs/dbraw/zinc/56/02/56/862560256.db2.gz PASVOUKGJDRGFX-SLFBBCNNSA-N 0 0 393.487 3.622 10 0 GHAERN Cc1noc(C)c1[C@@H](C)CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328717905 854520770 /nfs/dbraw/zinc/52/07/70/854520770.db2.gz POSHLCLRVCAETM-OIAISFKWSA-N 0 0 398.507 3.701 10 0 GHAERN CC1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)CC1 ZINC000328752538 854528590 /nfs/dbraw/zinc/52/85/90/854528590.db2.gz NIWYJQOQZJCJCU-SQNIBIBYSA-N 0 0 376.545 3.612 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc2)cc1 ZINC000328957389 854616448 /nfs/dbraw/zinc/61/64/48/854616448.db2.gz NYFMKZIBPAIWOE-SFTDATJTSA-N 0 0 381.476 3.724 10 0 GHAERN Cc1cc2occ(CC(=O)N3CCC[C@@H](Cn4cncn4)C3)c2cc1C(C)C ZINC000127035661 854778235 /nfs/dbraw/zinc/77/82/35/854778235.db2.gz ZYPLROWUUVHTME-QGZVFWFLSA-N 0 0 380.492 3.937 10 0 GHAERN O=C(c1cccnc1SCC1CCCCC1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127047704 854785152 /nfs/dbraw/zinc/78/51/52/854785152.db2.gz ZPCGFGNKANGJCI-GOSISDBHSA-N 0 0 399.564 3.898 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@H]1C ZINC000334128695 854902683 /nfs/dbraw/zinc/90/26/83/854902683.db2.gz RQMYCVZXPUMQBS-FRIZHTMISA-N 0 0 388.537 3.505 10 0 GHAERN CC(=O)Nc1ccc(Br)cc1NCc1nc(-c2ccoc2)no1 ZINC000105607159 855125287 /nfs/dbraw/zinc/12/52/87/855125287.db2.gz SXWAJGSSEVXUDJ-UHFFFAOYSA-N 0 0 377.198 3.663 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)CC(=O)N[C@H](C)CCCC(C)C)n2)c1 ZINC000105689601 855131688 /nfs/dbraw/zinc/13/16/88/855131688.db2.gz XSGVUFQATNEEIH-CHAGWJKLSA-N 0 0 391.537 3.625 10 0 GHAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC000330197196 862654276 /nfs/dbraw/zinc/65/42/76/862654276.db2.gz RMGFGDWJPMLEAY-DOTOQJQBSA-N 0 0 392.521 3.513 10 0 GHAERN CC(C)(C)N1CC2=C(Oc3ccccc3[C@H]2C2CN(C(C)(C)C)C(=O)C2=O)C1=O ZINC000048524389 856467037 /nfs/dbraw/zinc/46/70/37/856467037.db2.gz JUZIEHHYLJDPTM-KRWDZBQOSA-N 0 0 396.487 3.510 10 0 GHAERN CCCCOC(=O)CN(C(=S)NC(=O)c1ccccc1)c1ccc(C)cc1 ZINC000048524210 856467155 /nfs/dbraw/zinc/46/71/55/856467155.db2.gz PSMFRWZXAQRGJX-UHFFFAOYSA-N 0 0 384.501 3.860 10 0 GHAERN CCN(CC)C(=O)CCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218554 856972006 /nfs/dbraw/zinc/97/20/06/856972006.db2.gz CAJNNLOKNAJURC-IBGZPJMESA-N 0 0 396.535 3.821 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@H]1c1ccco1 ZINC000172439796 857721004 /nfs/dbraw/zinc/72/10/04/857721004.db2.gz YAHKJUOCLXFCAA-SJORKVTESA-N 0 0 388.489 3.825 10 0 GHAERN Cc1nn(C)c2ncc(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)cc12 ZINC000129823434 857915973 /nfs/dbraw/zinc/91/59/73/857915973.db2.gz MZONEPYDLQOQMQ-SFHVURJKSA-N 0 0 376.460 3.843 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000130021166 858600889 /nfs/dbraw/zinc/60/08/89/858600889.db2.gz CALWZTIGQYRSJA-IEBWSBKVSA-N 0 0 384.520 3.978 10 0 GHAERN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133825686 858819819 /nfs/dbraw/zinc/81/98/19/858819819.db2.gz MPPRNIUWYLQWEQ-GFCCVEGCSA-N 0 0 387.534 3.640 10 0 GHAERN CC(C)Cn1cc(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c2ccccc21 ZINC000134000139 858824820 /nfs/dbraw/zinc/82/48/20/858824820.db2.gz AHDAIOHPDMBPPN-MRXNPFEDSA-N 0 0 379.508 3.757 10 0 GHAERN CC(C)Cn1cc(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c2ccccc21 ZINC000134000322 858825271 /nfs/dbraw/zinc/82/52/71/858825271.db2.gz AHDAIOHPDMBPPN-INIZCTEOSA-N 0 0 379.508 3.757 10 0 GHAERN CC(C)c1ccc(C[C@@H](C)NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000166352477 858851804 /nfs/dbraw/zinc/85/18/04/858851804.db2.gz UWBRSGACMUXNGY-GOSISDBHSA-N 0 0 398.551 3.519 10 0 GHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1C ZINC000161577635 859727217 /nfs/dbraw/zinc/72/72/17/859727217.db2.gz JXMISMUAWXMPAD-OALUTQOASA-N 0 0 381.524 3.880 10 0 GHAERN O=C(CNc1ccccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000105174932 859815729 /nfs/dbraw/zinc/81/57/29/859815729.db2.gz AEXVBZMWWWOCHM-UHFFFAOYSA-N 0 0 384.332 3.811 10 0 GHAERN Cn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2sccc2c1=O ZINC000024631858 860335491 /nfs/dbraw/zinc/33/54/91/860335491.db2.gz NVUJHGGZQHPZGP-LBPRGKRZSA-N 0 0 391.543 3.512 10 0 GHAERN O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172390120 860433026 /nfs/dbraw/zinc/43/30/26/860433026.db2.gz ZEIWQONLKYLSJP-UHFFFAOYSA-N 0 0 394.450 3.530 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)C(C)C ZINC000173909491 860444456 /nfs/dbraw/zinc/44/44/56/860444456.db2.gz AJCBCTAUEGEMAS-XLIONFOSSA-N 0 0 385.508 3.554 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 ZINC000173074021 860695705 /nfs/dbraw/zinc/69/57/05/860695705.db2.gz UYBZSYKVTPLCHE-RTBURBONSA-N 0 0 397.544 3.710 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cnn1-c1ccccc1C ZINC000173077366 860698831 /nfs/dbraw/zinc/69/88/31/860698831.db2.gz DSDXNDNPBMYNIS-SFHVURJKSA-N 0 0 379.464 3.973 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(-c4noc(C5CC5)n4)c3)C2)c1 ZINC000173097254 860803980 /nfs/dbraw/zinc/80/39/80/860803980.db2.gz VUYAVCLNNUKDND-SFHVURJKSA-N 0 0 377.448 3.596 10 0 GHAERN CN(C)C(=O)c1cccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000102993305 860887604 /nfs/dbraw/zinc/88/76/04/860887604.db2.gz SMEUAUCHJCVAHA-UHFFFAOYSA-N 0 0 393.418 3.645 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3cc(Br)cn3C)n2)c1 ZINC000102910956 860899223 /nfs/dbraw/zinc/89/92/23/860899223.db2.gz WXUWJLJWFZMIQU-UHFFFAOYSA-N 0 0 393.266 3.567 10 0 GHAERN Cc1cnn(CC2CCN([C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)c1 ZINC000329147645 861067620 /nfs/dbraw/zinc/06/76/20/861067620.db2.gz PDJAWHGFEMQURI-CQSZACIVSA-N 0 0 385.537 3.992 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)cnn1-c1cc(C)ccc1C ZINC000329208701 861140929 /nfs/dbraw/zinc/14/09/29/861140929.db2.gz BURCHRGUGCMYKX-LMMKCTJWSA-N 0 0 378.476 3.897 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 ZINC000173301258 863680881 /nfs/dbraw/zinc/68/08/81/863680881.db2.gz GYXCHBWKGHYSBI-GOSISDBHSA-N 0 0 388.489 3.779 10 0 GHAERN O=C(C[S@@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1)Nc1ccccc1F ZINC000103224625 863914505 /nfs/dbraw/zinc/91/45/05/863914505.db2.gz SGDBVIBOMRXONN-HHHXNRCGSA-N 0 0 394.374 3.646 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 ZINC000103316261 863955406 /nfs/dbraw/zinc/95/54/06/863955406.db2.gz MPUKALYWLFETES-MRXNPFEDSA-N 0 0 391.531 3.686 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000153754050 864106150 /nfs/dbraw/zinc/10/61/50/864106150.db2.gz IDOVCZIVUZIZIB-ROUUACIJSA-N 0 0 382.512 3.958 10 0 GHAERN Cc1ccc(Cc2nnc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)s2)cc1 ZINC000178392292 864886845 /nfs/dbraw/zinc/88/68/45/864886845.db2.gz HTJFANDXRKBNBG-OXJNMPFZSA-N 0 0 386.521 3.596 10 0 GHAERN Cn1cc(-c2cccc(CNc3ncccc3C(=O)N3CCCCC3)c2)cn1 ZINC000301892703 865590125 /nfs/dbraw/zinc/59/01/25/865590125.db2.gz SAJJXRABFVUKLA-UHFFFAOYSA-N 0 0 375.476 3.720 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2cc(C)nc(-c3cccnc3)n2)c2ccc(F)cc2C1 ZINC000302194209 865760045 /nfs/dbraw/zinc/76/00/45/865760045.db2.gz NMFYPQIYCVTJSQ-HXUWFJFHSA-N 0 0 391.450 3.892 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000303898912 865808810 /nfs/dbraw/zinc/80/88/10/865808810.db2.gz QGRFISNEMCVUQT-IRXDYDNUSA-N 0 0 392.569 3.664 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(C(=O)NC2CC2)c2ccccc2n1 ZINC000108951541 866577178 /nfs/dbraw/zinc/57/71/78/866577178.db2.gz VSESXLZXWILXFI-FQEVSTJZSA-N 0 0 389.503 3.819 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CCO2)c1 ZINC000112062843 866715258 /nfs/dbraw/zinc/71/52/58/866715258.db2.gz AJDSSBSGEYERLA-ZDUSSCGKSA-N 0 0 393.274 3.521 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180384000 867209367 /nfs/dbraw/zinc/20/93/67/867209367.db2.gz AUILEIUROVMZBK-MGPUTAFESA-N 0 0 388.899 3.993 10 0 GHAERN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000171642394 882119858 /nfs/dbraw/zinc/11/98/58/882119858.db2.gz VZKVOPOCSNJRMX-HNNXBMFYSA-N 0 0 399.545 3.779 10 0 GHAERN O=C(CCC1CCCC1)NCC(=O)NCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000102334329 882217123 /nfs/dbraw/zinc/21/71/23/882217123.db2.gz WMJMUMDKXIOVLW-UHFFFAOYSA-N 0 0 399.466 3.716 10 0 GHAERN Cc1ccc([C@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000172464146 882279339 /nfs/dbraw/zinc/27/93/39/882279339.db2.gz ZDLTYKTZKFHOBD-QGZVFWFLSA-N 0 0 382.479 3.906 10 0 GHAERN O=C(Nc1cccc(COCc2ccco2)c1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000172466296 882278380 /nfs/dbraw/zinc/27/83/80/882278380.db2.gz JTSXZTSPLKFCOB-LEWJYISDSA-N 0 0 378.428 3.776 10 0 GHAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc2ccccc21 ZINC000172504246 882291327 /nfs/dbraw/zinc/29/13/27/882291327.db2.gz ZOUDXAODDBLDRG-CQSZACIVSA-N 0 0 386.411 3.706 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc(Cl)c1 ZINC000172514599 882292809 /nfs/dbraw/zinc/29/28/09/882292809.db2.gz LMSRBJRJMHMRPQ-MRXNPFEDSA-N 0 0 384.823 3.596 10 0 GHAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172601120 882299357 /nfs/dbraw/zinc/29/93/57/882299357.db2.gz AVAGFPUPZRERQU-CRAIPNDOSA-N 0 0 392.507 3.769 10 0 GHAERN CC[C@@H](C)Oc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172878956 882316706 /nfs/dbraw/zinc/31/67/06/882316706.db2.gz IAOQSPCUXMSCPW-MRXNPFEDSA-N 0 0 381.476 3.750 10 0 GHAERN CCCOc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c(C)c1 ZINC000172862917 882315427 /nfs/dbraw/zinc/31/54/27/882315427.db2.gz VIEMMNLAOQZPJK-FQEVSTJZSA-N 0 0 381.476 3.812 10 0 GHAERN CC1(C)CN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)c2cccc(Cl)c21 ZINC000172912072 882323776 /nfs/dbraw/zinc/32/37/76/882323776.db2.gz DXDWUCDJOPJPJD-UHFFFAOYSA-N 0 0 397.906 3.912 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cccn3Cc3cccs3)CC2)nc1 ZINC000172961995 882326187 /nfs/dbraw/zinc/32/61/87/882326187.db2.gz AGUPCGWWWIHKNV-UHFFFAOYSA-N 0 0 380.517 3.700 10 0 GHAERN Cc1ccc(-c2ocnc2C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000172976544 882327431 /nfs/dbraw/zinc/32/74/31/882327431.db2.gz KCNMKATWNSOBLJ-UHFFFAOYSA-N 0 0 395.503 3.905 10 0 GHAERN Cc1csc([C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)C2CC2)n1 ZINC000173369256 882357834 /nfs/dbraw/zinc/35/78/34/882357834.db2.gz NFOCGYMQBOOMMG-GOSISDBHSA-N 0 0 385.537 3.574 10 0 GHAERN O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000173493148 882365340 /nfs/dbraw/zinc/36/53/40/882365340.db2.gz ZPENGYZVRHSSEM-CQSZACIVSA-N 0 0 397.456 3.589 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCC2CCC(C(C)(C)C)CC2)C1 ZINC000190135062 870320542 /nfs/dbraw/zinc/32/05/42/870320542.db2.gz SKUWJSFPSXNARA-SJJHQCBESA-N 0 0 378.517 3.702 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000190342354 870326703 /nfs/dbraw/zinc/32/67/03/870326703.db2.gz ZYZOFEDFWAYXFH-QYZOEREBSA-N 0 0 386.471 3.639 10 0 GHAERN CC1CCC(N(C[C@H]2CCCO2)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000173805332 882406825 /nfs/dbraw/zinc/40/68/25/882406825.db2.gz DKVZGWSYMSLEHJ-LYBXBRPPSA-N 0 0 397.523 3.537 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c(-c2nc(C3CC3)no2)c1 ZINC000173871202 882411271 /nfs/dbraw/zinc/41/12/71/882411271.db2.gz DSGXPHHMHWQKPF-OAHLLOKOSA-N 0 0 388.427 3.987 10 0 GHAERN CNC(=O)Cn1ccc2ccc(NC(=O)N3CC=C(c4ccccc4)CC3)cc21 ZINC000173901118 882414800 /nfs/dbraw/zinc/41/48/00/882414800.db2.gz XBGRTKHELLPRGG-UHFFFAOYSA-N 0 0 388.471 3.709 10 0 GHAERN O=C(CCc1nnc(-c2ccccc2)o1)N1CCC(Nc2ccccc2F)CC1 ZINC000174074781 882422772 /nfs/dbraw/zinc/42/27/72/882422772.db2.gz DUWHFFFWFZWMCF-UHFFFAOYSA-N 0 0 394.450 3.911 10 0 GHAERN CN(Cc1nc(C(F)(F)F)cs1)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000174193935 882433636 /nfs/dbraw/zinc/43/36/36/882433636.db2.gz WAJXQNKKBCOVGM-GFCCVEGCSA-N 0 0 398.454 3.927 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114823084 870709042 /nfs/dbraw/zinc/70/90/42/870709042.db2.gz LKYGJKCRRAVZBC-INIZCTEOSA-N 0 0 386.521 3.971 10 0 GHAERN CCc1nsc(N2CCCN(C(=O)N[C@@H](CC)c3cccs3)CC2)n1 ZINC000174209068 882435758 /nfs/dbraw/zinc/43/57/58/882435758.db2.gz GCFQJOJACCWPMY-ZDUSSCGKSA-N 0 0 379.555 3.535 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@H](c3nccs3)C2)cccc1N1CCOC1=O ZINC000174553922 882480978 /nfs/dbraw/zinc/48/09/78/882480978.db2.gz MNVKZPRQLMNKNB-AWEZNQCLSA-N 0 0 386.477 3.820 10 0 GHAERN COc1cccc(Cl)c1C(=O)N1CCC[C@H](C2N=NC(=S)N2C(C)C)C1 ZINC000174799607 882502212 /nfs/dbraw/zinc/50/22/12/882502212.db2.gz QHEXYJCOCSGCPX-LBPRGKRZSA-N 0 0 394.928 3.830 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(Cc2ccccc2)no1 ZINC000175023464 882516992 /nfs/dbraw/zinc/51/69/92/882516992.db2.gz GOFDXXQVTDYRLM-GDBMZVCRSA-N 0 0 397.504 3.767 10 0 GHAERN COc1ccccc1OCCN(C)C(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103317358 871685507 /nfs/dbraw/zinc/68/55/07/871685507.db2.gz PKASJJWTRKNNIA-UHFFFAOYSA-N 0 0 381.476 3.748 10 0 GHAERN COC(=O)/C=C/c1ccc(OC(=O)Cc2c[nH]c3cccc(C)c23)c(OC)c1 ZINC000103363889 871827617 /nfs/dbraw/zinc/82/76/17/871827617.db2.gz RGESNDLGVVUQNR-CSKARUKUSA-N 0 0 379.412 3.819 10 0 GHAERN Cc1ccc(-c2nc(C)c(C(=O)NCCCNC(=O)OC(C)(C)C)s2)o1 ZINC000103444127 871998535 /nfs/dbraw/zinc/99/85/35/871998535.db2.gz TVWZJIOUTCMHLW-UHFFFAOYSA-N 0 0 379.482 3.665 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175512514 882591334 /nfs/dbraw/zinc/59/13/34/882591334.db2.gz VJEWYIMUFPSORO-GBESFXJTSA-N 0 0 397.437 3.996 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000175751617 882621437 /nfs/dbraw/zinc/62/14/37/882621437.db2.gz UKQYCDRLDNXWEX-RTBURBONSA-N 0 0 396.535 3.514 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176373339 882684397 /nfs/dbraw/zinc/68/43/97/882684397.db2.gz OMTTVXBAAWSJES-NZSAHSFTSA-N 0 0 399.564 3.685 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3c3nccs3)CC2)n1 ZINC000176374448 882684510 /nfs/dbraw/zinc/68/45/10/882684510.db2.gz RVBZZMDGANPRRU-KRWDZBQOSA-N 0 0 385.537 3.752 10 0 GHAERN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000176479516 882696055 /nfs/dbraw/zinc/69/60/55/882696055.db2.gz JVLAAXGGAGXNKX-RHSMWYFYSA-N 0 0 384.480 3.985 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000176629866 882720600 /nfs/dbraw/zinc/72/06/00/882720600.db2.gz GNUGVJXMEAWSBR-GOSISDBHSA-N 0 0 389.496 3.639 10 0 GHAERN Cc1cccc(-c2nnc(COC(=O)c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)o2)c1 ZINC000102841483 873710720 /nfs/dbraw/zinc/71/07/20/873710720.db2.gz YGGAGBVZPFRUBL-KBXCAEBGSA-N 0 0 391.427 3.997 10 0 GHAERN CCn1ncc2ccc(NC(=O)NC3CCN(c4cccc(C)n4)CC3)cc21 ZINC000117004326 873847092 /nfs/dbraw/zinc/84/70/92/873847092.db2.gz OZRMGMOKWXYLDU-UHFFFAOYSA-N 0 0 378.480 3.550 10 0 GHAERN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000177395975 882792402 /nfs/dbraw/zinc/79/24/02/882792402.db2.gz QMQQQTGWONUTLK-CABCVRRESA-N 0 0 398.898 3.649 10 0 GHAERN CCCOC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CCCCC1 ZINC000177394969 882792715 /nfs/dbraw/zinc/79/27/15/882792715.db2.gz LNWLETCDAPYPDC-UHFFFAOYSA-N 0 0 392.565 3.846 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 ZINC000177475952 882804550 /nfs/dbraw/zinc/80/45/50/882804550.db2.gz FXJHQBNLJKTGGU-UHFFFAOYSA-N 0 0 399.903 3.938 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000004306190 874215447 /nfs/dbraw/zinc/21/54/47/874215447.db2.gz SXUJUOKZHCPSQH-HSZRJFAPSA-N 0 0 387.439 3.636 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(C)C)C1=O ZINC000004306348 874215463 /nfs/dbraw/zinc/21/54/63/874215463.db2.gz VUZCQJDFNBWEJA-QFIPXVFZSA-N 0 0 379.460 3.606 10 0 GHAERN Cc1sc2nc(CCC(=O)N3CC=C(c4cccs4)CC3)[nH]c(=O)c2c1C ZINC000117856154 874226235 /nfs/dbraw/zinc/22/62/35/874226235.db2.gz PVQGERYILUKCHJ-UHFFFAOYSA-N 0 0 399.541 3.911 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177509016 882809118 /nfs/dbraw/zinc/80/91/18/882809118.db2.gz KMDPLMIFIZXJHE-SNVBAGLBSA-N 0 0 384.288 3.795 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000177287426 882816451 /nfs/dbraw/zinc/81/64/51/882816451.db2.gz YVNOKMJOXKEJDL-MRXNPFEDSA-N 0 0 389.459 3.660 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000177945370 882849692 /nfs/dbraw/zinc/84/96/92/882849692.db2.gz HFVADIJGNMCEPG-HXUWFJFHSA-N 0 0 390.443 3.632 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H](CCO)c1ccccc1)CCC2 ZINC000177877517 882867962 /nfs/dbraw/zinc/86/79/62/882867962.db2.gz TZKPQRWXASRZJQ-SJLPKXTDSA-N 0 0 387.549 3.891 10 0 GHAERN Cc1cc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cnc1Cl ZINC000119035813 874854175 /nfs/dbraw/zinc/85/41/75/874854175.db2.gz TTWZQQPNJRCEDX-UHFFFAOYSA-N 0 0 378.904 3.690 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(F)c1 ZINC000178133055 882887805 /nfs/dbraw/zinc/88/78/05/882887805.db2.gz BHTLZUUHVNSBNV-HXUWFJFHSA-N 0 0 397.494 3.977 10 0 GHAERN CC(C)n1ncc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc21 ZINC000178449335 882891972 /nfs/dbraw/zinc/89/19/72/882891972.db2.gz GEEVHRHWKMUOBC-UHFFFAOYSA-N 0 0 380.496 3.837 10 0 GHAERN CN(C)c1c(Cl)cccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178442084 882893324 /nfs/dbraw/zinc/89/33/24/882893324.db2.gz CNMAEGZOJHRGQG-UHFFFAOYSA-N 0 0 375.904 3.626 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC(Cc3nccn3C)CC1)O[C@H](C)C2 ZINC000178434341 882913890 /nfs/dbraw/zinc/91/38/90/882913890.db2.gz UCTHWGQJLFGPKP-OAHLLOKOSA-N 0 0 398.507 3.629 10 0 GHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673433 882930846 /nfs/dbraw/zinc/93/08/46/882930846.db2.gz ICIKSWISKNKKBK-NWDGAFQWSA-N 0 0 384.427 3.642 10 0 GHAERN COc1cc(C=CC(=O)Nc2c[nH]nc2-c2ccccc2)cc(OC)c1OC ZINC000178705116 882932862 /nfs/dbraw/zinc/93/28/62/882932862.db2.gz CGPQMHSOBQPDRR-MDZDMXLPSA-N 0 0 379.416 3.754 10 0 GHAERN O=C(Nc1cccnc1Br)NC1CCN(c2cccs2)CC1 ZINC000120375276 875959206 /nfs/dbraw/zinc/95/92/06/875959206.db2.gz VEOGDERCKJJYFO-UHFFFAOYSA-N 0 0 381.299 3.696 10 0 GHAERN COc1cc(NC2CCN(C(=O)N[C@H](C)c3nccs3)CC2)cc(OC)c1 ZINC000120529368 876094830 /nfs/dbraw/zinc/09/48/30/876094830.db2.gz NYIMVWURBRWZES-CYBMUJFWSA-N 0 0 390.509 3.507 10 0 GHAERN Cn1c2ccccc2nc1[C@@H](NC(=O)C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000179737227 882997226 /nfs/dbraw/zinc/99/72/26/882997226.db2.gz ODJWXABWULLPJP-GGAORHGYSA-N 0 0 385.467 3.903 10 0 GHAERN COCCn1ccc2ccc(NC(=O)N3CCO[C@@H](c4ccc(C)o4)C3)cc21 ZINC000179435998 882998808 /nfs/dbraw/zinc/99/88/08/882998808.db2.gz HQIGWXPZMKFQPK-HXUWFJFHSA-N 0 0 383.448 3.795 10 0 GHAERN COCCn1nc(C)c(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1C ZINC000179595411 883011670 /nfs/dbraw/zinc/01/16/70/883011670.db2.gz VKSRXBMPLUYJPA-KDOFPFPSSA-N 0 0 386.496 3.565 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC000120734563 876251677 /nfs/dbraw/zinc/25/16/77/876251677.db2.gz GDDIUFWSRXBIMU-CVEARBPZSA-N 0 0 393.553 3.851 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccncc1 ZINC000120852524 876320218 /nfs/dbraw/zinc/32/02/18/876320218.db2.gz RTLYKEUARNFWKB-SJKOYZFVSA-N 0 0 392.286 3.870 10 0 GHAERN COc1ccccc1COC1CCN(C(=O)c2c(O)cnc3ccccc32)CC1 ZINC000180866050 883105185 /nfs/dbraw/zinc/10/51/85/883105185.db2.gz MYQALUJYCUZNAI-UHFFFAOYSA-N 0 0 392.455 3.770 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000121745432 877702847 /nfs/dbraw/zinc/70/28/47/877702847.db2.gz YGZOWYHYHUPDHW-LLVKDONJSA-N 0 0 398.207 3.808 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000122014260 878225564 /nfs/dbraw/zinc/22/55/64/878225564.db2.gz BDAKBGQNTZHVJA-YJBOKZPZSA-N 0 0 380.444 3.670 10 0 GHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000175135010 878327307 /nfs/dbraw/zinc/32/73/07/878327307.db2.gz DPAPKUCKRKJJAP-UAGQMJEPSA-N 0 0 385.512 3.801 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000122330578 878753798 /nfs/dbraw/zinc/75/37/98/878753798.db2.gz OHUQWNAMLVTVNP-QAPCUYQASA-N 0 0 387.501 3.507 10 0 GHAERN C[C@H]1C[C@H](CC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC(C)(C)C1 ZINC000135506041 879293937 /nfs/dbraw/zinc/29/39/37/879293937.db2.gz YWSCXVUQHRWPTN-DLBZAZTESA-N 0 0 388.556 3.834 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@@]3(C)O)cc2NC1=O ZINC000285663898 879584269 /nfs/dbraw/zinc/58/42/69/879584269.db2.gz VBGNGJQLASBQBG-RBENZSJFSA-N 0 0 388.533 3.665 10 0 GHAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(OC(F)F)cc1 ZINC000123306994 880275358 /nfs/dbraw/zinc/27/53/58/880275358.db2.gz KNRZXQSSCKKHJM-AWEZNQCLSA-N 0 0 392.450 3.747 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1OCC(F)F ZINC000180801672 883124152 /nfs/dbraw/zinc/12/41/52/883124152.db2.gz FFXHWLLPZRXGLX-HNNXBMFYSA-N 0 0 396.390 3.911 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cn(C)nc3-c3cccs3)CC2)nc1 ZINC000181193337 883126344 /nfs/dbraw/zinc/12/63/44/883126344.db2.gz CPPRQAFSKMXFRM-UHFFFAOYSA-N 0 0 382.489 3.536 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccnn3Cc3ccccn3)C2)cc1 ZINC000181178451 883151949 /nfs/dbraw/zinc/15/19/49/883151949.db2.gz ICSJMNXDJRRDQA-AEFFLSMTSA-N 0 0 391.475 3.745 10 0 GHAERN O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1)c1ncncc1Cl ZINC000181498436 883158160 /nfs/dbraw/zinc/15/81/60/883158160.db2.gz OAROOFSFOAPMAH-UHFFFAOYSA-N 0 0 399.709 3.831 10 0 GHAERN CCOC(=O)c1cccc(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000181576567 883163073 /nfs/dbraw/zinc/16/30/73/883163073.db2.gz ZCQLNEJVHAXMHX-QGZVFWFLSA-N 0 0 397.479 3.550 10 0 GHAERN O=C([C@@H]1C[C@H]1c1cccc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000181930121 883193621 /nfs/dbraw/zinc/19/36/21/883193621.db2.gz DCOLDSJQJIJOEO-FCHUYYIVSA-N 0 0 389.499 3.538 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000182367133 883217237 /nfs/dbraw/zinc/21/72/37/883217237.db2.gz CSYSFEQQEYITLA-HKUYNNGSSA-N 0 0 395.507 3.779 10 0 GHAERN CC(=O)N(c1nc(CN2CCCC[C@@H]2c2nc[nH]n2)cs1)c1ccccc1 ZINC000182719729 883232529 /nfs/dbraw/zinc/23/25/29/883232529.db2.gz VZUIENTVTCZLCU-QGZVFWFLSA-N 0 0 382.493 3.673 10 0 GHAERN CCc1ccc2c(c1)[C@H](OC(=O)C1CCN(C(=O)c3ccccn3)CC1)CCO2 ZINC000183780271 883287293 /nfs/dbraw/zinc/28/72/93/883287293.db2.gz KRXBZUURLUDGEY-OAQYLSRUSA-N 0 0 394.471 3.563 10 0 GHAERN Brc1cnc(CN[C@H]2COc3ccccc32)c(Br)c1 ZINC000135302769 883292982 /nfs/dbraw/zinc/29/29/82/883292982.db2.gz AOVOCHQDNOOTQW-ZDUSSCGKSA-N 0 0 384.071 3.830 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCc2c(C)cccc2C)c2ccc(F)cc2C1 ZINC000184013406 883298388 /nfs/dbraw/zinc/29/83/88/883298388.db2.gz AOBOAXDWSZKLIG-QFIPXVFZSA-N 0 0 397.494 3.778 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000184025304 883300280 /nfs/dbraw/zinc/30/02/80/883300280.db2.gz GIDMMLDORSYFBI-RTBURBONSA-N 0 0 385.439 3.589 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@H](c3ccco3)C2)c1C ZINC000184043140 883304044 /nfs/dbraw/zinc/30/40/44/883304044.db2.gz MJTGNCJVBNQHCW-HNNXBMFYSA-N 0 0 378.812 3.633 10 0 GHAERN COc1ccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1OC(C)C ZINC000184208333 883329249 /nfs/dbraw/zinc/32/92/49/883329249.db2.gz YZROHNZNGRZQRV-UHFFFAOYSA-N 0 0 398.507 3.976 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)cc1F ZINC000184315767 883343595 /nfs/dbraw/zinc/34/35/95/883343595.db2.gz MZZAWQNOIQJPQI-UHFFFAOYSA-N 0 0 392.434 3.661 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCSC[C@H]2c2nccs2)n1 ZINC000184544412 883355871 /nfs/dbraw/zinc/35/58/71/883355871.db2.gz CDGSHAFVRZRBOP-LBPRGKRZSA-N 0 0 386.493 3.864 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCCOCC(F)(F)F)cc1 ZINC000184665471 883372216 /nfs/dbraw/zinc/37/22/16/883372216.db2.gz KHVAPRXERPOALN-OAHLLOKOSA-N 0 0 377.428 3.671 10 0 GHAERN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)C1 ZINC000184807001 883382794 /nfs/dbraw/zinc/38/27/94/883382794.db2.gz GKVGYLRKZLDEFO-MLGOLLRUSA-N 0 0 395.431 3.693 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC2(C)CCC(C)CC2)c2ccc(F)cc2C1 ZINC000184859567 883387437 /nfs/dbraw/zinc/38/74/37/883387437.db2.gz YMHVTCGRXCJAQC-XGMGDGQCSA-N 0 0 375.488 3.887 10 0 GHAERN CC(C)CC(=O)N1CCC(CSCC(=O)N2CCc3sccc3C2)CC1 ZINC000184940527 883405989 /nfs/dbraw/zinc/40/59/89/883405989.db2.gz OSEZPWMSXAMEGK-UHFFFAOYSA-N 0 0 394.606 3.651 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000185131120 883423202 /nfs/dbraw/zinc/42/32/02/883423202.db2.gz PQFHPYWTKSNPKM-HUUCEWRRSA-N 0 0 397.508 3.957 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000185131134 883423368 /nfs/dbraw/zinc/42/33/68/883423368.db2.gz PQFHPYWTKSNPKM-GJZGRUSLSA-N 0 0 397.508 3.957 10 0 GHAERN CC[C@]1(C)CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185246839 883429254 /nfs/dbraw/zinc/42/92/54/883429254.db2.gz OUTRZRHQRCPGPJ-PZJWPPBQSA-N 0 0 375.488 3.841 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)o1 ZINC000185331694 883436184 /nfs/dbraw/zinc/43/61/84/883436184.db2.gz VFCRROZQBSUSCW-SBYGZDSISA-N 0 0 394.471 3.999 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3c2cccc3C)c2ccc(F)cc2C1 ZINC000185513590 883548711 /nfs/dbraw/zinc/54/87/11/883548711.db2.gz AERGRZIGKGKOQC-OAQYLSRUSA-N 0 0 393.462 3.768 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc3ncccc3c2)c2ccc(F)cc2C1 ZINC000185536774 883551602 /nfs/dbraw/zinc/55/16/02/883551602.db2.gz HNKSBEWNODKHNN-OAQYLSRUSA-N 0 0 377.419 3.597 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000185558328 883556595 /nfs/dbraw/zinc/55/65/95/883556595.db2.gz FHHRBILXUWAKPZ-SZNDQCEHSA-N 0 0 386.442 3.753 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186052032 883607612 /nfs/dbraw/zinc/60/76/12/883607612.db2.gz COOWBYHKUBKLNR-MRXNPFEDSA-N 0 0 396.516 3.756 10 0 GHAERN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186427044 883644700 /nfs/dbraw/zinc/64/47/00/883644700.db2.gz FTCOXBLTAURIPV-UHFFFAOYSA-N 0 0 396.878 3.671 10 0 GHAERN Cc1nc2ccccc2n1CCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186589767 883667711 /nfs/dbraw/zinc/66/77/11/883667711.db2.gz SCPVJOGZRYNGTL-UHFFFAOYSA-N 0 0 392.463 3.534 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCc4[nH]c5ccccc5c4C3)ccc2NC1=O ZINC000186628480 883676673 /nfs/dbraw/zinc/67/66/73/883676673.db2.gz WBPNJTJHAGLWDX-UHFFFAOYSA-N 0 0 375.432 3.735 10 0 GHAERN Cc1ccc(OC(F)F)c(CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)c1 ZINC000186621653 883677121 /nfs/dbraw/zinc/67/71/21/883677121.db2.gz JURZCUHHAZJMQB-UHFFFAOYSA-N 0 0 390.390 3.895 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccc(OC(F)F)cc3)ccc2NC1=O ZINC000186628190 883677331 /nfs/dbraw/zinc/67/73/31/883677331.db2.gz UOWZLUZTUWCHQN-UHFFFAOYSA-N 0 0 376.363 3.587 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186660397 883684645 /nfs/dbraw/zinc/68/46/45/883684645.db2.gz BHXIDCXYYHBPIJ-CQSZACIVSA-N 0 0 379.464 3.536 10 0 GHAERN Cc1nc(-c2cccc(C(=O)N3CCC(c4nc(N(C)C)no4)CC3)c2)cs1 ZINC000186780488 883701701 /nfs/dbraw/zinc/70/17/01/883701701.db2.gz BDVAQJRWWFESLL-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186780402 883701798 /nfs/dbraw/zinc/70/17/98/883701798.db2.gz ITWGEWBJJMDZPG-UHFFFAOYSA-N 0 0 389.525 3.578 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCCNC(=O)c2ccc(F)cc2F)cs1 ZINC000187118257 883747003 /nfs/dbraw/zinc/74/70/03/883747003.db2.gz OEBFFIHIJFLWHV-KRWDZBQOSA-N 0 0 393.459 3.603 10 0 GHAERN C[C@@H](NC(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)c1ccncc1 ZINC000187148521 883752805 /nfs/dbraw/zinc/75/28/05/883752805.db2.gz DUTNNCYZLVXDAZ-OAHLLOKOSA-N 0 0 396.491 3.893 10 0 GHAERN CN1Cc2cc(NCc3cn(-c4ccc(F)c(Cl)c4)nn3)ccc2NC1=O ZINC000187479488 883793872 /nfs/dbraw/zinc/79/38/72/883793872.db2.gz SCBVRDXXTIKHQZ-UHFFFAOYSA-N 0 0 386.818 3.649 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1-n1cccn1 ZINC000187567646 883800615 /nfs/dbraw/zinc/80/06/15/883800615.db2.gz WSVVUWKPNYUJTB-HNNXBMFYSA-N 0 0 396.520 3.676 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1 ZINC000187850870 883810352 /nfs/dbraw/zinc/81/03/52/883810352.db2.gz PNKILWPDNBNHMO-AZUAARDMSA-N 0 0 396.487 3.581 10 0 GHAERN O=C(Nc1cccc(N2CCCCC2=O)c1)N1CCC(Nc2nccs2)CC1 ZINC000188527266 883856409 /nfs/dbraw/zinc/85/64/09/883856409.db2.gz FWTMCRVCHIFQCJ-UHFFFAOYSA-N 0 0 399.520 3.768 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(Br)ncc1Cl ZINC000188825995 883886354 /nfs/dbraw/zinc/88/63/54/883886354.db2.gz WXSUFWWKLJWFTG-UHFFFAOYSA-N 0 0 379.601 3.800 10 0 GHAERN CCOc1cccc2[nH]cc(CC(=O)NC3CCN(c4cccc(C)n4)CC3)c21 ZINC000188882332 883890784 /nfs/dbraw/zinc/89/07/84/883890784.db2.gz XEHPCOVOLHIBNI-UHFFFAOYSA-N 0 0 392.503 3.598 10 0 GHAERN CCOc1cc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)ccc1OC ZINC000188958669 883906456 /nfs/dbraw/zinc/90/64/56/883906456.db2.gz UEHBNTYLRLFYFV-UHFFFAOYSA-N 0 0 396.487 3.872 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189348011 883938770 /nfs/dbraw/zinc/93/87/70/883938770.db2.gz OSHUHVVUYQALFL-UHFFFAOYSA-N 0 0 382.493 3.746 10 0 GHAERN O=C(NCc1ccn(C2CCCC2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189621390 883973570 /nfs/dbraw/zinc/97/35/70/883973570.db2.gz SRMLNTPRJGVKRD-UHFFFAOYSA-N 0 0 380.492 3.776 10 0 GHAERN O=C(c1csc(-c2cnccn2)n1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189642662 883976506 /nfs/dbraw/zinc/97/65/06/883976506.db2.gz VIYSAYYVVBHONT-GFCCVEGCSA-N 0 0 386.427 3.898 10 0 GHAERN COc1ccc(Cn2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000189889167 884006860 /nfs/dbraw/zinc/00/68/60/884006860.db2.gz IOWGKKJVFDNUHZ-INIZCTEOSA-N 0 0 397.504 3.808 10 0 GHAERN O=C(CCc1nnc(C2CCCC2)o1)N1CC2(CCOCC2)c2ccccc21 ZINC000189862521 884018228 /nfs/dbraw/zinc/01/82/28/884018228.db2.gz CZEOHAMQBYSVIT-UHFFFAOYSA-N 0 0 381.476 3.755 10 0 GHAERN CS(=O)(=O)c1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1Cl ZINC000189871046 884019341 /nfs/dbraw/zinc/01/93/41/884019341.db2.gz ROODUKFZQQHBTD-LLVKDONJSA-N 0 0 399.925 3.612 10 0 GHAERN COc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1OC(C)C ZINC000190397241 884059428 /nfs/dbraw/zinc/05/94/28/884059428.db2.gz USKJSDVJBPBQJC-UHFFFAOYSA-N 0 0 375.494 3.656 10 0 GHAERN O=C(NCCc1c[nH]c2ccccc12)N1CC2(CCOCC2)c2ccccc21 ZINC000190303383 884065447 /nfs/dbraw/zinc/06/54/47/884065447.db2.gz UWVAFXBPLMFNLV-UHFFFAOYSA-N 0 0 375.472 3.988 10 0 GHAERN O=C(CCOc1ccc(F)cc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190404494 884078182 /nfs/dbraw/zinc/07/81/82/884078182.db2.gz UQDOLGYVUCHJPS-UHFFFAOYSA-N 0 0 383.876 3.808 10 0 GHAERN CCOc1c(Cl)cc(C(=O)N2CCC(Nc3nccs3)CC2)cc1OC ZINC000190429546 884080786 /nfs/dbraw/zinc/08/07/86/884080786.db2.gz ZGMAJKUBWDZAQH-UHFFFAOYSA-N 0 0 395.912 3.921 10 0 GHAERN O=C(c1cnc(OCC2CC2)c(Cl)c1)N1CCC(Nc2nccs2)CC1 ZINC000190437645 884081641 /nfs/dbraw/zinc/08/16/41/884081641.db2.gz GVBGDQYYQUVEON-UHFFFAOYSA-N 0 0 392.912 3.697 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000190631388 884105645 /nfs/dbraw/zinc/10/56/45/884105645.db2.gz KHBSXMKZEUHPLT-INIZCTEOSA-N 0 0 399.447 3.916 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000370113630 884153007 /nfs/dbraw/zinc/15/30/07/884153007.db2.gz RULCMRHPSBGEJK-RISCZKNCSA-N 0 0 377.901 3.584 10 0 GHAERN CCn1cc([C@@H]2CN(Cc3c(Cl)n(C)nc3-c3ccccc3)CCO2)cn1 ZINC000191703661 884215822 /nfs/dbraw/zinc/21/58/22/884215822.db2.gz NRPVKVTTWLOULN-SFHVURJKSA-N 0 0 385.899 3.530 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc21 ZINC000162695609 884281967 /nfs/dbraw/zinc/28/19/67/884281967.db2.gz SFRPQURJRAIOAJ-QRWLVFNGSA-N 0 0 384.501 3.595 10 0 GHAERN O=C(Nc1ccc(F)c(Cl)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192931971 884315179 /nfs/dbraw/zinc/31/51/79/884315179.db2.gz LVDKHRAHDFFAER-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N1CCCCC[C@H]1c1ccncc1 ZINC000193258534 884334803 /nfs/dbraw/zinc/33/48/03/884334803.db2.gz CZGGPVRCMPBTNL-QUCCMNQESA-N 0 0 378.476 3.834 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000193369743 884345805 /nfs/dbraw/zinc/34/58/05/884345805.db2.gz SVNYOTSCAONVMN-SJLPKXTDSA-N 0 0 391.924 3.801 10 0 GHAERN COc1ccccc1CN1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000102795712 884450991 /nfs/dbraw/zinc/45/09/91/884450991.db2.gz WZLBQZVUCLVQGP-KRWDZBQOSA-N 0 0 383.492 3.752 10 0 GHAERN Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)NCCCN1CCCC1=O ZINC000102798889 884458592 /nfs/dbraw/zinc/45/85/92/884458592.db2.gz FLHVMUYNQRYGTQ-UHFFFAOYSA-N 0 0 399.466 3.847 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152280361 884699426 /nfs/dbraw/zinc/69/94/26/884699426.db2.gz GLIKHMOKWGXRJX-WMZOPIPTSA-N 0 0 397.523 3.702 10 0 GHAERN CC[C@H](C)c1ccc(NC(=O)C[S@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711850 884840563 /nfs/dbraw/zinc/84/05/63/884840563.db2.gz TZGZQETVSDAUBV-JGTBNHKDSA-N 0 0 387.461 3.731 10 0 GHAERN O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000105884975 884900324 /nfs/dbraw/zinc/90/03/24/884900324.db2.gz PZQCUQKJKVIABI-UHFFFAOYSA-N 0 0 399.224 3.870 10 0 GHAERN COc1ccc([C@@H](CC(=O)N[C@H](c2ccccc2)C2CCC2)NC(C)=O)cc1 ZINC000104420255 885425564 /nfs/dbraw/zinc/42/55/64/885425564.db2.gz IBDAPMGTRKBGON-FYYLOGMGSA-N 0 0 380.488 3.920 10 0 GHAERN O=C(NCc1ccccc1Cn1cccn1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103176911 885987231 /nfs/dbraw/zinc/98/72/31/885987231.db2.gz JSRLUJLWSFLGPP-HSZRJFAPSA-N 0 0 397.482 3.915 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)[C@H](C)C(=O)Nc3ccccc3C)n2)c1 ZINC000105689881 886019295 /nfs/dbraw/zinc/01/92/95/886019295.db2.gz YDHZYRAJDBKMBX-YVORESIASA-N 0 0 383.473 3.629 10 0 GHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000107395721 886048799 /nfs/dbraw/zinc/04/87/99/886048799.db2.gz PIJMRSLTDKDOQR-CQSZACIVSA-N 0 0 382.493 3.509 10 0 GHAERN COc1cccc(/C=C/C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c1 ZINC000110394520 886196498 /nfs/dbraw/zinc/19/64/98/886196498.db2.gz PVKPZEZPRXQCHJ-IHHMQQGQSA-N 0 0 378.432 3.667 10 0 GHAERN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)C=Cc2cccc(C(F)(F)F)c2)C1 ZINC000110723294 886208148 /nfs/dbraw/zinc/20/81/48/886208148.db2.gz YUNPSOZQUCNYAS-GWJCSSMESA-N 0 0 396.438 3.542 10 0 GHAERN O=C(NC[C@H]1CCc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000111878545 886240975 /nfs/dbraw/zinc/24/09/75/886240975.db2.gz DFAPDBNGZYORJE-HXUWFJFHSA-N 0 0 383.536 3.541 10 0 GHAERN CC(=O)NC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CCCCC1 ZINC000113217832 886287259 /nfs/dbraw/zinc/28/72/59/886287259.db2.gz CZKPNYBEFDGYAO-IBGZPJMESA-N 0 0 394.519 3.622 10 0 GHAERN Cc1csc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000113585470 886295786 /nfs/dbraw/zinc/29/57/86/886295786.db2.gz KHKBJBOCZQQVGY-MRXNPFEDSA-N 0 0 381.505 3.931 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114825489 886328294 /nfs/dbraw/zinc/32/82/94/886328294.db2.gz AGOYPCKWCLGEQD-QGZVFWFLSA-N 0 0 398.532 3.749 10 0 GHAERN Cc1ccc(Cc2nc(C(=O)N3CCC(Cc4nccn4C)CC3)cs2)cc1 ZINC000118982744 886419091 /nfs/dbraw/zinc/41/90/91/886419091.db2.gz WOXLYAFCQGVLPY-UHFFFAOYSA-N 0 0 394.544 3.871 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cc2)n1 ZINC000119026202 886422397 /nfs/dbraw/zinc/42/23/97/886422397.db2.gz ZLQSSZKQZXGVNV-IBGZPJMESA-N 0 0 375.432 3.532 10 0 GHAERN Cc1[nH]cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(=O)c1Br ZINC000119771986 886477285 /nfs/dbraw/zinc/47/72/85/886477285.db2.gz XTCBGHVKXMLBNF-NOZJJQNGSA-N 0 0 397.294 3.522 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1cccc(N3CCCC3)c1)CCC2 ZINC000332674294 886539819 /nfs/dbraw/zinc/53/98/19/886539819.db2.gz AHSZACVSMKCNLL-PKOBYXMFSA-N 0 0 381.524 3.730 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000332927587 886561417 /nfs/dbraw/zinc/56/14/17/886561417.db2.gz MHDRSAIRAXJORG-DFGXFYAUSA-N 0 0 383.496 3.522 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000122012372 886574131 /nfs/dbraw/zinc/57/41/31/886574131.db2.gz PIHACHJICIVDBO-OXQOHEQNSA-N 0 0 378.472 3.516 10 0 GHAERN Cc1ccc(NC(=O)CCc2nnc(-c3ccccn3)o2)cc1Br ZINC000041183534 886662926 /nfs/dbraw/zinc/66/29/26/886662926.db2.gz DGOHNDNVASQDSS-UHFFFAOYSA-N 0 0 387.237 3.774 10 0 GHAERN CCS[C@@H]1CCCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124565077 886766394 /nfs/dbraw/zinc/76/63/94/886766394.db2.gz QKUKXCGRBQBLSM-PBHICJAKSA-N 0 0 392.500 3.924 10 0 GHAERN O=C(N1CCC(c2ccnn2CCO)CC1)C1(Sc2ccccc2)CCCC1 ZINC000126366296 886961268 /nfs/dbraw/zinc/96/12/68/886961268.db2.gz ZRVVOTYNHFLXCC-UHFFFAOYSA-N 0 0 399.560 3.687 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000126367708 886962961 /nfs/dbraw/zinc/96/29/61/886962961.db2.gz KFDFZSDBXHRKEN-RTWAWAEBSA-N 0 0 396.531 3.953 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cn(C)nc3-c3ccccc3Cl)CCO2)o1 ZINC000127082370 887029330 /nfs/dbraw/zinc/02/93/30/887029330.db2.gz JRWIUQKSPXHPBS-SFHVURJKSA-N 0 0 385.851 3.856 10 0 GHAERN CCCOc1ccc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000045881099 887104857 /nfs/dbraw/zinc/10/48/57/887104857.db2.gz CMFWIWVKKMOVND-GOSISDBHSA-N 0 0 393.491 3.607 10 0 GHAERN CC(=O)N(c1nc(CN2CCC(Nc3ccccc3F)CC2)cs1)C1CC1 ZINC000129075468 887256785 /nfs/dbraw/zinc/25/67/85/887256785.db2.gz VMLYRHFRTITXDK-UHFFFAOYSA-N 0 0 388.512 3.874 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000129112839 887260657 /nfs/dbraw/zinc/26/06/57/887260657.db2.gz JUXWSFHEGHEADK-UHFFFAOYSA-N 0 0 390.371 3.629 10 0 GHAERN COc1cccc(CNC(=O)Nc2cc(C(=O)N(C)C(C)C)ccc2Cl)n1 ZINC000105055509 887370279 /nfs/dbraw/zinc/37/02/79/887370279.db2.gz BWPQOJONUBCSCU-UHFFFAOYSA-N 0 0 390.871 3.546 10 0 GHAERN CC[C@H](C)c1ccc([C@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105093001 887558579 /nfs/dbraw/zinc/55/85/79/887558579.db2.gz NFNCPRNIJXWRNQ-YWZLYKJASA-N 0 0 385.533 3.883 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)NCCCCOCc1ccccc1 ZINC000050690642 887696250 /nfs/dbraw/zinc/69/62/50/887696250.db2.gz OVGSJSYVQSIRMR-LJQANCHMSA-N 0 0 384.501 3.603 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(-c4nc(C5CC5)no4)cc3)CCO2)o1 ZINC000133985925 887823576 /nfs/dbraw/zinc/82/35/76/887823576.db2.gz ZTGMLQOMBBKIQD-GOSISDBHSA-N 0 0 379.416 3.729 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000134299080 887850243 /nfs/dbraw/zinc/85/02/43/887850243.db2.gz AMRBJIIVXMFQEN-LIRRHRJNSA-N 0 0 399.878 3.919 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000134299054 887850876 /nfs/dbraw/zinc/85/08/76/887850876.db2.gz AMRBJIIVXMFQEN-IFXJQAMLSA-N 0 0 399.878 3.919 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134347602 887862545 /nfs/dbraw/zinc/86/25/45/887862545.db2.gz STJMQNDTTHECAG-DYVFJYSZSA-N 0 0 387.867 3.714 10 0 GHAERN O=C(c1cc(C2CCCCC2)n[nH]1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000134414781 887873176 /nfs/dbraw/zinc/87/31/76/887873176.db2.gz FUOWJVHKKFUMAL-UHFFFAOYSA-N 0 0 386.521 3.507 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000053955463 888255784 /nfs/dbraw/zinc/25/57/84/888255784.db2.gz PLALBIKHFWVFTD-MJGOQNOKSA-N 0 0 375.476 3.696 10 0 GHAERN O=C(C=Cc1ccc(-c2ccccc2F)s1)N1CCC(N2CCNC2=O)CC1 ZINC000054317987 888271160 /nfs/dbraw/zinc/27/11/60/888271160.db2.gz URKQXWPYYBAOIB-SOFGYWHQSA-N 0 0 399.491 3.584 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000105295852 888305805 /nfs/dbraw/zinc/30/58/05/888305805.db2.gz LXRAOTJYBAHCDE-AWEZNQCLSA-N 0 0 394.585 3.523 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000137107908 888334244 /nfs/dbraw/zinc/33/42/44/888334244.db2.gz YWVFEHZWBMUFDX-HNNXBMFYSA-N 0 0 388.855 3.769 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056488657 888363323 /nfs/dbraw/zinc/36/33/23/888363323.db2.gz WZHBSPGIJMLPMF-SFHVURJKSA-N 0 0 394.519 3.507 10 0 GHAERN COc1ccc(CCCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000061367197 888487481 /nfs/dbraw/zinc/48/74/81/888487481.db2.gz DMSMJEFAEHOANU-UHFFFAOYSA-N 0 0 386.536 3.659 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1C(=O)N(C)C(C)C ZINC000193738464 888519988 /nfs/dbraw/zinc/51/99/88/888519988.db2.gz XPOXMESVWCZRNB-IBGZPJMESA-N 0 0 396.491 3.556 10 0 GHAERN Cc1nc(Cl)ccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000194558713 888593295 /nfs/dbraw/zinc/59/32/95/888593295.db2.gz FCOSZDVLQKWKEN-UHFFFAOYSA-N 0 0 378.904 3.690 10 0 GHAERN O=C(NCc1ccc2ncccc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000194567179 888595109 /nfs/dbraw/zinc/59/51/09/888595109.db2.gz AUKDEUUZXVTPTP-UHFFFAOYSA-N 0 0 394.519 3.559 10 0 GHAERN CC[C@@H]1CN(Cc2csc(CS(C)(=O)=O)n2)CC[C@H]1c1ccccc1 ZINC000245409284 888746682 /nfs/dbraw/zinc/74/66/82/888746682.db2.gz LJFGESUHBQQAQZ-CRAIPNDOSA-N 0 0 378.563 3.703 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)C(C)(C)c1ccccc1 ZINC000245687800 889228564 /nfs/dbraw/zinc/22/85/64/889228564.db2.gz NVTOPCDGTOKRSX-YZGWKJHDSA-N 0 0 398.551 3.632 10 0 GHAERN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[C@H]3C1)C2 ZINC000245712050 889393763 /nfs/dbraw/zinc/39/37/63/889393763.db2.gz NOFUBSANOMPSFO-YESZJQIVSA-N 0 0 390.549 3.549 10 0 GHAERN CCCCC1CCC(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)CC1 ZINC000065675739 889772064 /nfs/dbraw/zinc/77/20/64/889772064.db2.gz MPURERCJCSDPJW-UHFFFAOYSA-N 0 0 389.540 3.948 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000245984610 890127345 /nfs/dbraw/zinc/12/73/45/890127345.db2.gz JPZMRCTUWUNZBL-CLAROIROSA-N 0 0 389.499 3.649 10 0 GHAERN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000246113621 890400244 /nfs/dbraw/zinc/40/02/44/890400244.db2.gz NRUAMOOERJQAQX-BHIYHBOVSA-N 0 0 386.492 3.650 10 0 GHAERN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246136988 890494794 /nfs/dbraw/zinc/49/47/94/890494794.db2.gz ZHDXVTTUDCXWAI-VQIMIIECSA-N 0 0 389.503 3.973 10 0 GHAERN CC[C@@H]1Oc2cc([C@H](C)N[C@H](C)c3nc(-c4cccnc4)no3)ccc2NC1=O ZINC000246188294 890628377 /nfs/dbraw/zinc/62/83/77/890628377.db2.gz ASLSLSHOCVEECH-AHIWAGSCSA-N 0 0 393.447 3.653 10 0 GHAERN Cc1occc1C(=O)NC1CCN(C(=O)/C=C/c2ccc(C)c(Cl)c2)CC1 ZINC000066480321 891115646 /nfs/dbraw/zinc/11/56/46/891115646.db2.gz DIDAEZQBJMHWMZ-AATRIKPKSA-N 0 0 386.879 3.984 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000067635068 891159812 /nfs/dbraw/zinc/15/98/12/891159812.db2.gz INIIVPIBESGABJ-VQIMIIECSA-N 0 0 394.475 3.600 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(CN2CCCC2=O)c1 ZINC000068262129 891173987 /nfs/dbraw/zinc/17/39/87/891173987.db2.gz JRJLLOMOGBRNFW-QHCPKHFHSA-N 0 0 385.467 3.723 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068670489 891184436 /nfs/dbraw/zinc/18/44/36/891184436.db2.gz SUYVLUGUOAAPCY-HUUCEWRRSA-N 0 0 391.302 3.672 10 0 GHAERN CCOc1ccc(-c2nc(CN(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)co2)cc1 ZINC000246885435 891321274 /nfs/dbraw/zinc/32/12/74/891321274.db2.gz QRXUXTIEZWYLHI-RTBURBONSA-N 0 0 392.521 3.528 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000247221609 891356208 /nfs/dbraw/zinc/35/62/08/891356208.db2.gz NCQLVQUOIPOGRI-MAUKXSAKSA-N 0 0 389.952 3.854 10 0 GHAERN CC(C)(C)N1CC[C@H](NC(=O)C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248424874 891434286 /nfs/dbraw/zinc/43/42/86/891434286.db2.gz NQSXRQIWCDMQNM-ZWKOTPCHSA-N 0 0 382.907 3.936 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)c2ccc(F)cc2C1 ZINC000248723596 891461599 /nfs/dbraw/zinc/46/15/99/891461599.db2.gz MMLIYENBLTVRNM-SMHQJORMSA-N 0 0 375.488 3.743 10 0 GHAERN C[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000249119438 891497193 /nfs/dbraw/zinc/49/71/93/891497193.db2.gz BQVLNQHWQFQKRZ-BHNDVYRESA-N 0 0 388.508 3.572 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)C1 ZINC000249697638 891515802 /nfs/dbraw/zinc/51/58/02/891515802.db2.gz BFBZVTWUPNKHAB-QIJUGHKUSA-N 0 0 398.547 3.651 10 0 GHAERN Cc1ccccc1[C@H]1CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)[C@@H](C)CO1 ZINC000253597479 891882042 /nfs/dbraw/zinc/88/20/42/891882042.db2.gz QEHXZNDEMPWGSE-WMLDXEAASA-N 0 0 381.480 3.562 10 0 GHAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCc3ccc(F)cc32)C1 ZINC000332950082 893325760 /nfs/dbraw/zinc/32/57/60/893325760.db2.gz WYOCGBUCIZOCFB-WMZOPIPTSA-N 0 0 375.488 3.539 10 0 GHAERN CCc1cccc(CC)c1NC(=O)C[S@](=O)Cc1cccc(NC(C)=O)c1 ZINC000101722024 897959241 /nfs/dbraw/zinc/95/92/41/897959241.db2.gz CCAYBISZYFZXGZ-MHZLTWQESA-N 0 0 386.517 3.657 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(C)c(NC(C)=O)c3)C2)c1 ZINC000102530390 898012636 /nfs/dbraw/zinc/01/26/36/898012636.db2.gz SKGWMUAGLRVRDO-KRWDZBQOSA-N 0 0 396.491 3.610 10 0 GHAERN Cc1ccc(-c2nnc(-c3ccc(C(=O)N(C)C[C@@H]4CCCO4)cc3)o2)cc1 ZINC000105599162 898215009 /nfs/dbraw/zinc/21/50/09/898215009.db2.gz YQOFYKIRSOSYOS-IBGZPJMESA-N 0 0 377.444 3.963 10 0 GHAERN CC(C)Oc1cccc([C@@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000333315611 901999716 /nfs/dbraw/zinc/99/97/16/901999716.db2.gz WBRGLEVGSBUKIX-QRQLOZEOSA-N 0 0 387.524 3.625 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCNC[C@H]1c1cccnc1 ZINC000333348969 902027349 /nfs/dbraw/zinc/02/73/49/902027349.db2.gz JHAUVLJHBUBSRY-PMACEKPBSA-N 0 0 392.503 3.574 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000282982041 902031765 /nfs/dbraw/zinc/03/17/65/902031765.db2.gz BRXHKBLRZHVHEI-VQIMIIECSA-N 0 0 384.524 3.697 10 0 GHAERN CS(=O)(=O)C1(c2noc([C@H]3C4CCC(CC4)[C@@H]3C(F)(F)F)n2)CCCC1 ZINC000333368106 902040111 /nfs/dbraw/zinc/04/01/11/902040111.db2.gz FCQOAVHJOSAVEX-TYUFSLCMSA-N 0 0 392.443 3.966 10 0 GHAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333985905 902481391 /nfs/dbraw/zinc/48/13/91/902481391.db2.gz GPTXDELIDCKOIN-OTWHNJEPSA-N 0 0 381.520 3.703 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334028115 902514375 /nfs/dbraw/zinc/51/43/75/902514375.db2.gz IYBKLUIVULMWGW-NQIIRXRSSA-N 0 0 383.536 3.887 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000334102019 902554706 /nfs/dbraw/zinc/55/47/06/902554706.db2.gz WSJUXBVCOQDQMH-SFTDATJTSA-N 0 0 389.584 3.883 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000282795114 904324560 /nfs/dbraw/zinc/32/45/60/904324560.db2.gz NZVDAVLHYWVIQJ-FJBKBRRZSA-N 0 0 382.430 3.871 10 0 GHAERN CC(C)c1nc(C2(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)CCCC2)no1 ZINC000175187532 905471965 /nfs/dbraw/zinc/47/19/65/905471965.db2.gz NADGAZAIKKTPDT-INIZCTEOSA-N 0 0 396.491 3.670 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2cccnn2)CC1)c1c(F)cccc1Cl ZINC000176150454 905770038 /nfs/dbraw/zinc/77/00/38/905770038.db2.gz XUTBYFMDZNPMMU-LBPRGKRZSA-N 0 0 377.851 3.616 10 0 GHAERN O=C(Nc1ccc(Br)cc1Cl)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181271113 906959392 /nfs/dbraw/zinc/95/93/92/906959392.db2.gz KIQLKJUNKHMCTG-GFCCVEGCSA-N 0 0 384.665 3.980 10 0 GHAERN COc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181273623 906959686 /nfs/dbraw/zinc/95/96/86/906959686.db2.gz PIYLPHGXIHEHRX-LBPRGKRZSA-N 0 0 394.273 3.643 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182181544 907152883 /nfs/dbraw/zinc/15/28/83/907152883.db2.gz RFFRWILZSCBLGQ-RBUKOAKNSA-N 0 0 379.508 3.929 10 0 GHAERN CC(=O)N(c1nc(CN2CCCC[C@@H]2c2nc[nH]n2)cs1)c1ccc(C)cc1 ZINC000182709242 907254157 /nfs/dbraw/zinc/25/41/57/907254157.db2.gz BDFCCFUCPWIYQX-GOSISDBHSA-N 0 0 396.520 3.981 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cccc(Br)c1)C2 ZINC000182862387 907279132 /nfs/dbraw/zinc/27/91/32/907279132.db2.gz DBGWQEWCYKOSQT-UHFFFAOYSA-N 0 0 377.286 3.896 10 0 GHAERN CN(C)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183067966 907320840 /nfs/dbraw/zinc/32/08/40/907320840.db2.gz IODVXKLLWITFOQ-AWEZNQCLSA-N 0 0 382.390 3.649 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183072826 907322900 /nfs/dbraw/zinc/32/29/00/907322900.db2.gz PHFPESHGVJRWGF-GOSISDBHSA-N 0 0 396.495 3.580 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cc2F)n1 ZINC000184326393 907561806 /nfs/dbraw/zinc/56/18/06/907561806.db2.gz KNQSPZSERQUPOU-QGZVFWFLSA-N 0 0 383.431 3.505 10 0 GHAERN O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000184577614 907611979 /nfs/dbraw/zinc/61/19/79/907611979.db2.gz PRRSTDFTGMZDHZ-SFHVURJKSA-N 0 0 396.495 3.626 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(N3CCOCC3)cc2C)cs1 ZINC000188542771 908222907 /nfs/dbraw/zinc/22/29/07/908222907.db2.gz WNAUMWMDWMEJHV-IBGZPJMESA-N 0 0 386.521 3.966 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000189382586 908314087 /nfs/dbraw/zinc/31/40/87/908314087.db2.gz LACGHYKWIYOURU-CMPLNLGQSA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OCCC(C)C)cc2)C1 ZINC000189441642 908323750 /nfs/dbraw/zinc/32/37/50/908323750.db2.gz RCJMYWCQXLONEV-ZWKOTPCHSA-N 0 0 388.468 3.797 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2sc(C)nc2CC(C)C)cs1 ZINC000189451144 908325551 /nfs/dbraw/zinc/32/55/51/908325551.db2.gz SHHAYVZOZDUXGA-HNNXBMFYSA-N 0 0 392.550 3.717 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000190032248 908408243 /nfs/dbraw/zinc/40/82/43/908408243.db2.gz MADLSJDKTGFECX-IUIKQTSFSA-N 0 0 397.397 3.564 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000190053437 908414787 /nfs/dbraw/zinc/41/47/87/908414787.db2.gz QELQBHOJYWXFBW-GJZGRUSLSA-N 0 0 375.494 3.630 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000190075039 908420937 /nfs/dbraw/zinc/42/09/37/908420937.db2.gz DWBWKIYOIGYSGO-ICSRJNTNSA-N 0 0 377.444 3.571 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000190115287 908429406 /nfs/dbraw/zinc/42/94/06/908429406.db2.gz KEMOZAYLUHAUGV-HIFRSBDPSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c4c(cccc42)CC3)C1 ZINC000190114243 908429848 /nfs/dbraw/zinc/42/98/48/908429848.db2.gz ZPSQFFSSDRYIKD-QAPCUYQASA-N 0 0 378.432 3.624 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000190126444 908432586 /nfs/dbraw/zinc/43/25/86/908432586.db2.gz CIIOKEXKMUMNQE-GWCFXTLKSA-N 0 0 388.321 3.530 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(Cl)c2OC(C)C)C1 ZINC000190130536 908433948 /nfs/dbraw/zinc/43/39/48/908433948.db2.gz PDTKOHMQORGZJM-IUODEOHRSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000190128235 908434154 /nfs/dbraw/zinc/43/41/54/908434154.db2.gz VHNORYYXEBKUID-GWCFXTLKSA-N 0 0 388.321 3.530 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@H](C)c3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000191585493 908646686 /nfs/dbraw/zinc/64/66/86/908646686.db2.gz YIKZMDNQJYZEQF-SJKOYZFVSA-N 0 0 380.851 3.540 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103789603 909211644 /nfs/dbraw/zinc/21/16/44/909211644.db2.gz JFYPRKGTSVEMQB-UHFFFAOYSA-N 0 0 381.795 3.883 10 0 GHAERN CCn1c(SCc2noc(-c3ccc(F)cc3)n2)nnc1-c1ccncc1 ZINC000368658908 922797592 /nfs/dbraw/zinc/79/75/92/922797592.db2.gz NZOJQSZRZJTXQC-UHFFFAOYSA-N 0 0 382.424 3.841 10 0 GHAERN COCc1ccccc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185039781 1014576440 /nfs/dbraw/zinc/57/64/40/1014576440.db2.gz ANXHFWPGNOZYBO-HXUWFJFHSA-N 0 0 385.439 3.587 10 0 GHAERN CCOc1c(F)cccc1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185529352 1014585462 /nfs/dbraw/zinc/58/54/62/1014585462.db2.gz HHQYCFIFCHEORZ-IBGZPJMESA-N 0 0 388.414 3.587 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c(Cl)n2C)c2ccc(F)cc2C1 ZINC000185527091 1014585631 /nfs/dbraw/zinc/58/56/31/1014585631.db2.gz VFOVOQKQOFXCMH-HNNXBMFYSA-N 0 0 398.265 3.694 10 0 GHAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)c2cccc(Cl)c2)CC1=O ZINC000016018100 210182497 /nfs/dbraw/zinc/18/24/97/210182497.db2.gz DUSHJLDLNSLJJZ-HOCLYGCPSA-N 0 0 386.879 3.887 10 0 GHAERN CC[C@@H](C)C(=O)C(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014881404 210130028 /nfs/dbraw/zinc/13/00/28/210130028.db2.gz AVTABGTZWPUKSI-PBHICJAKSA-N 0 0 383.467 3.912 10 0 GHAERN CC[C@@H](C)C(=O)C(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014881402 210129886 /nfs/dbraw/zinc/12/98/86/210129886.db2.gz AVTABGTZWPUKSI-RHSMWYFYSA-N 0 0 383.467 3.912 10 0 GHAERN CN1CCN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@H](c2ccccc2)C1 ZINC000012765487 210005724 /nfs/dbraw/zinc/00/57/24/210005724.db2.gz PUPHICALDCTHQK-FQEVSTJZSA-N 0 0 389.455 3.661 10 0 GHAERN CC(=O)c1ccc(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)cc1 ZINC000006841121 209696029 /nfs/dbraw/zinc/69/60/29/209696029.db2.gz XCSSOPSIXNALQC-UHFFFAOYSA-N 0 0 381.457 3.558 10 0 GHAERN CC(C)CNC(=O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(Cl)c1 ZINC000006833310 209695173 /nfs/dbraw/zinc/69/51/73/209695173.db2.gz MIMVXIPRQZWJNK-KRWDZBQOSA-N 0 0 378.900 3.614 10 0 GHAERN Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc4ccccc4c3)CC2=O)cc1 ZINC000003624103 209448077 /nfs/dbraw/zinc/44/80/77/209448077.db2.gz RTVLCCRIOMTIQW-FQEVSTJZSA-N 0 0 387.435 3.927 10 0 GHAERN CN(C(=O)CSc1nnc2c3cc(F)ccc3n(C)c2n1)C1CCCCC1 ZINC000001366356 209322869 /nfs/dbraw/zinc/32/28/69/209322869.db2.gz DXKJJIMJDAGUMT-UHFFFAOYSA-N 0 0 387.484 3.539 10 0 GHAERN CCOC(=O)c1cc2sccc2n1CCCN1C(=O)c2ccccc2C1=O ZINC000001338164 209320619 /nfs/dbraw/zinc/32/06/19/209320619.db2.gz IIAFMFDMAAOKNG-UHFFFAOYSA-N 0 0 382.441 3.566 10 0 GHAERN CCOc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1 ZINC000001695027 209229489 /nfs/dbraw/zinc/22/94/89/209229489.db2.gz UULUTYMORLDHPL-UHFFFAOYSA-N 0 0 386.400 3.893 10 0 in-vitro GHAERN C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000022131218 209176919 /nfs/dbraw/zinc/17/69/19/209176919.db2.gz RHCHGCXVVXXXMJ-AAEUAGOBSA-N 0 0 375.519 3.573 10 0 GHAERN O=C(c1csc(Nc2ccc3c(c2)OCO3)n1)N1CCc2ccccc2C1 ZINC000096283025 211331204 /nfs/dbraw/zinc/33/12/04/211331204.db2.gz JFIIPBIYIJFPEE-UHFFFAOYSA-N 0 0 379.441 3.814 10 0 GHAERN CC(C)(C)OC(=O)NC[C@H]1CCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095087689 211220242 /nfs/dbraw/zinc/22/02/42/211220242.db2.gz SXGBTHXSTJDBKE-OAHLLOKOSA-N 0 0 383.496 3.698 10 0 GHAERN CC[C@@H](CN(C)C(=O)OCc1ccccc1)n1c(C(C)=O)nc2cccnc21 ZINC000095089585 211219573 /nfs/dbraw/zinc/21/95/73/211219573.db2.gz RJLWCWPWELJMCO-KRWDZBQOSA-N 0 0 380.448 3.854 10 0 GHAERN Cc1nc2nc(S(=O)(=O)CC(C)(C)C)sc2c(C)c1Br ZINC000089229783 211180592 /nfs/dbraw/zinc/18/05/92/211180592.db2.gz UZKVBLXJSXUUAI-UHFFFAOYSA-N 0 0 377.329 3.890 10 0 GHAERN COC(=O)[C@H](c1ccccc1Cl)N1CCc2sc(OC(C)=O)cc2C1 ZINC000084654546 211172955 /nfs/dbraw/zinc/17/29/55/211172955.db2.gz GNHHCBSBCDGWND-KRWDZBQOSA-N 0 0 379.865 3.599 10 0 GHAERN [NH3+][C@H](c1cccs1)[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071791504 211063527 /nfs/dbraw/zinc/06/35/27/211063527.db2.gz VNLHYZLBHGZOHU-WOJBJXKFSA-N 0 0 393.464 3.804 10 0 GHAERN Cc1cc(-c2c(-c3ccccc3)ncn2Cc2n[nH]c(=O)c3ccccc23)n[nH]1 ZINC000067982948 211033580 /nfs/dbraw/zinc/03/35/80/211033580.db2.gz ZRPPRUXAQOZHRF-UHFFFAOYSA-N 0 0 382.427 3.533 10 0 GHAERN CCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 ZINC000064667989 210945173 /nfs/dbraw/zinc/94/51/73/210945173.db2.gz SNCLNKQGWZIFAT-UHFFFAOYSA-N 0 0 385.533 3.887 10 0 GHAERN CCN(CC)c1nc2ccccc2c(=O)n1CCC(=O)Nc1cc(C)cc(C)c1 ZINC000033308602 210639964 /nfs/dbraw/zinc/63/99/64/210639964.db2.gz PDRPVPCYVFKUDO-UHFFFAOYSA-N 0 0 392.503 3.888 10 0 GHAERN COc1cc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc(OC)c1OC ZINC000020335963 210329755 /nfs/dbraw/zinc/32/97/55/210329755.db2.gz PMCZAMKPTVMRJF-UHFFFAOYSA-N 0 0 385.445 3.670 10 0 GHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000103581466 136191120 /nfs/dbraw/zinc/19/11/20/136191120.db2.gz ILZRRURGSORJTI-KOCGSJPCSA-N 0 0 393.487 3.825 10 0 GHAERN CCCCN(C)C(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227896 535206659 /nfs/dbraw/zinc/20/66/59/535206659.db2.gz XKYSTGAZCSJGDV-QGZVFWFLSA-N 0 0 397.523 3.874 10 0 GHAERN COc1cccc([C@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@@H]2C(=O)NC(C)C)c1 ZINC000036045954 570519257 /nfs/dbraw/zinc/51/92/57/570519257.db2.gz CEGNPDJRUMSFHY-RTWAWAEBSA-N 0 0 395.503 3.776 10 0 GHAERN CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000006779494 570586514 /nfs/dbraw/zinc/58/65/14/570586514.db2.gz VQHIRZQTZBABQG-AWEZNQCLSA-N 0 0 390.530 3.951 10 0 GHAERN CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000006381041 570937761 /nfs/dbraw/zinc/93/77/61/570937761.db2.gz QVXVUACNNIWBIU-JHJVBQTASA-N 0 0 388.460 3.969 10 0 biogenic GHAERN CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)cc1 ZINC000046009969 571010399 /nfs/dbraw/zinc/01/03/99/571010399.db2.gz ZLXFRLDXJNUWDE-UHFFFAOYSA-N 0 0 383.404 3.996 10 0 GHAERN COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC ZINC000001895146 581100736 /nfs/dbraw/zinc/10/07/36/581100736.db2.gz UCSSQROSBFPVKH-UHFFFAOYSA-N 0 0 393.802 3.905 10 0 GHAERN O=C(c1cc(Br)cc(Br)c1)N1CCC[C@@]12CCOC2 ZINC000367655528 834515737 /nfs/dbraw/zinc/51/57/37/834515737.db2.gz ZHOLNLZCSZTHEZ-AWEZNQCLSA-N 0 0 389.087 3.607 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(N(C)c4ccc(C)nn4)CC3)cc2c1 ZINC000329235887 834597900 /nfs/dbraw/zinc/59/79/00/834597900.db2.gz NXPQSXUIKBQQHE-UHFFFAOYSA-N 0 0 389.503 3.691 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1Br ZINC000156848939 834601003 /nfs/dbraw/zinc/60/10/03/834601003.db2.gz XQDNDAXOKVOSRN-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN Cc1c(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cnn1-c1ccccc1 ZINC000156855632 834603658 /nfs/dbraw/zinc/60/36/58/834603658.db2.gz LSEBWLMGTJBIFB-UHFFFAOYSA-N 0 0 390.491 3.675 10 0 GHAERN COc1cc(C2(C(=O)N3CCO[C@@H](c4nccs4)C3)CCCC2)ccc1C ZINC000110878331 834764617 /nfs/dbraw/zinc/76/46/17/834764617.db2.gz RGMJQQFKXKSIKX-GOSISDBHSA-N 0 0 386.517 3.872 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)Nc3ccc4nc(C)sc4c3)CC2)s1 ZINC000111708488 834980729 /nfs/dbraw/zinc/98/07/29/834980729.db2.gz HPGLZWWNZVLMOR-UHFFFAOYSA-N 0 0 387.534 3.719 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111825464 834998201 /nfs/dbraw/zinc/99/82/01/834998201.db2.gz PVIDGOHPKXKECI-HOCLYGCPSA-N 0 0 375.494 3.841 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000157660537 835025316 /nfs/dbraw/zinc/02/53/16/835025316.db2.gz LQJCEZFHVWFOOX-QGZVFWFLSA-N 0 0 382.512 3.834 10 0 GHAERN O=C(c1cnc(-c2ccsc2)s1)N1CCC(c2nncn2C2CC2)CC1 ZINC000112296421 835533142 /nfs/dbraw/zinc/53/31/42/835533142.db2.gz UWRAQBMTXQMZSM-UHFFFAOYSA-N 0 0 385.518 3.818 10 0 GHAERN Cc1ccc2oc(N3CCN(C(=O)N[C@@H]4CCCc5occc54)CC3)nc2c1 ZINC000112388314 835703437 /nfs/dbraw/zinc/70/34/37/835703437.db2.gz KMALXXRCLDOWTN-MRXNPFEDSA-N 0 0 380.448 3.638 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C[C@H]1C ZINC000187872470 835737622 /nfs/dbraw/zinc/73/76/22/835737622.db2.gz YXNQONWEEYLIDD-WBMJQRKESA-N 0 0 398.297 3.508 10 0 GHAERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000332770205 836592008 /nfs/dbraw/zinc/59/20/08/836592008.db2.gz CROSGBTYDNCQOO-AHEZYBDSSA-N 0 0 393.409 3.579 10 0 GHAERN CC(C)n1cc([C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4CCCC[C@H]4C3)C[C@H]2CO)cn1 ZINC000332792291 836630999 /nfs/dbraw/zinc/63/09/99/836630999.db2.gz MBCKDBQMYPXURN-OHNKGQGDSA-N 0 0 388.556 3.540 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000332853035 836759340 /nfs/dbraw/zinc/75/93/40/836759340.db2.gz LWNAGOHPPZAYHN-DMSXTEQDSA-N 0 0 380.467 3.557 10 0 GHAERN O=C(NCc1ccccc1-n1ccnc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180797 837273288 /nfs/dbraw/zinc/27/32/88/837273288.db2.gz AFAIGHRHHITDPN-QFIPXVFZSA-N 0 0 383.455 3.856 10 0 GHAERN COc1cc(Br)cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000408047325 837888229 /nfs/dbraw/zinc/88/82/29/837888229.db2.gz GGMGFBFZPYAECQ-SJKOYZFVSA-N 0 0 383.286 3.617 10 0 GHAERN CC(=O)N(C[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000333208087 844280781 /nfs/dbraw/zinc/28/07/81/844280781.db2.gz AZTGMNRCZNEFPF-PVAVHDDUSA-N 0 0 389.462 3.540 10 0 GHAERN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2cncn2)CC1 ZINC000179630899 838402715 /nfs/dbraw/zinc/40/27/15/838402715.db2.gz RJZLLFQECLACHS-LBPRGKRZSA-N 0 0 382.295 3.563 10 0 GHAERN O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cc2c(cc1Cl)OCCO2 ZINC000407992637 838453408 /nfs/dbraw/zinc/45/34/08/838453408.db2.gz UCPMQMGDDYOVMW-UHFFFAOYSA-N 0 0 399.818 3.511 10 0 GHAERN Cc1c(C(=O)N2C[C@H](O)C[C@H]2c2cccc(F)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000408062856 838502456 /nfs/dbraw/zinc/50/24/56/838502456.db2.gz OVWDUQIXIYJHMD-WBVHZDCISA-N 0 0 384.451 3.565 10 0 GHAERN O=C(c1cccn1C1CCCC1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000180206229 838559610 /nfs/dbraw/zinc/55/96/10/838559610.db2.gz TYJDABNUIQSERL-KRWDZBQOSA-N 0 0 381.524 3.941 10 0 GHAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000408028985 838698583 /nfs/dbraw/zinc/69/85/83/838698583.db2.gz VOPPCIDBRZXOJG-QGZVFWFLSA-N 0 0 393.940 3.787 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1Cl)CCCC2 ZINC000408029079 838707092 /nfs/dbraw/zinc/70/70/92/838707092.db2.gz WKAWDKHGECUNBQ-MRXNPFEDSA-N 0 0 397.903 3.617 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1F)CCCC2 ZINC000408029762 838711104 /nfs/dbraw/zinc/71/11/04/838711104.db2.gz YMWPUZIJIZJLHO-INIZCTEOSA-N 0 0 397.903 3.617 10 0 GHAERN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)c(Cl)c1 ZINC000408029702 838711256 /nfs/dbraw/zinc/71/12/56/838711256.db2.gz XZXXFKVEIODNGN-KRWDZBQOSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2nc3c(n2C)CCCC3)c1 ZINC000408029945 838714248 /nfs/dbraw/zinc/71/42/48/838714248.db2.gz ZEFRSVQIKWODLJ-KRWDZBQOSA-N 0 0 393.940 3.787 10 0 GHAERN O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000303583138 839077003 /nfs/dbraw/zinc/07/70/03/839077003.db2.gz FJNJNLVAVQLWMD-BBRMVZONSA-N 0 0 389.908 3.903 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC3(c4ccc(F)cc4)CCC3)C2)n1 ZINC000117042187 839539062 /nfs/dbraw/zinc/53/90/62/839539062.db2.gz UAQOEUPSTNKUGI-GOSISDBHSA-N 0 0 399.514 3.578 10 0 GHAERN COC(=O)/C=C\c1ccc(OC(=O)CCc2ccc3[nH]ccc3c2)c(OC)c1 ZINC000588385947 840002033 /nfs/dbraw/zinc/00/20/33/840002033.db2.gz FBZFNAVJCFNQFI-UITAMQMPSA-N 0 0 379.412 3.901 10 0 GHAERN O=C(Nc1cccc(OCc2cscn2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119411413 840200036 /nfs/dbraw/zinc/20/00/36/840200036.db2.gz BXSIQYJRWVUVJM-QRWLVFNGSA-N 0 0 387.505 3.881 10 0 GHAERN CC(=O)N1CCN(Cc2ccc(NC(=O)/C=C\c3ccccc3Cl)cc2)CC1 ZINC000588390548 840300968 /nfs/dbraw/zinc/30/09/68/840300968.db2.gz AWIWQWVIPWIHGP-FLIBITNWSA-N 0 0 397.906 3.656 10 0 GHAERN CN(CCO)c1ccc(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)cc1 ZINC000588391482 840344684 /nfs/dbraw/zinc/34/46/84/840344684.db2.gz CMDVPGKAXXHFRZ-FLIBITNWSA-N 0 0 381.863 3.969 10 0 GHAERN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000109502067 840362144 /nfs/dbraw/zinc/36/21/44/840362144.db2.gz YMKDKIFVQURAEC-UHFFFAOYSA-N 0 0 383.835 3.886 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000588393019 840398245 /nfs/dbraw/zinc/39/82/45/840398245.db2.gz PXPDUQRNFZXPFT-XSVZSIDJSA-N 0 0 396.462 3.712 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000588393828 840437562 /nfs/dbraw/zinc/43/75/62/840437562.db2.gz WCWLSXFQEQWUTC-RQOWECAXSA-N 0 0 375.866 3.785 10 0 GHAERN COc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000332727046 844546547 /nfs/dbraw/zinc/54/65/47/844546547.db2.gz QXQYKHTWUGKZIK-MOPGFXCFSA-N 0 0 385.508 3.523 10 0 GHAERN COc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCC(=O)NC23CCC3)cc1 ZINC000332727049 844547169 /nfs/dbraw/zinc/54/71/69/844547169.db2.gz QXQYKHTWUGKZIK-RTBURBONSA-N 0 0 385.508 3.523 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000332895312 844627337 /nfs/dbraw/zinc/62/73/37/844627337.db2.gz YXIGIWIPCFOHCZ-LKRQVQDUSA-N 0 0 396.457 3.851 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C1 ZINC000190059018 841283962 /nfs/dbraw/zinc/28/39/62/841283962.db2.gz MZXURNJIGAAJKJ-PGICJIBASA-N 0 0 394.475 3.586 10 0 GHAERN CCOc1cc(/C=C\C(=O)N[C@@H](C)c2ccccc2-n2cccn2)ccc1O ZINC000588412693 841422371 /nfs/dbraw/zinc/42/23/71/841422371.db2.gz JJPFXHOFIAZVSN-DMIOIOJGSA-N 0 0 377.444 3.867 10 0 GHAERN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330241547 841461301 /nfs/dbraw/zinc/46/13/01/841461301.db2.gz JAWPEGUCCJXWQO-QFBILLFUSA-N 0 0 391.537 3.658 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000408167340 841637371 /nfs/dbraw/zinc/63/73/71/841637371.db2.gz DDVVSWQQSDKMLU-CYBMUJFWSA-N 0 0 378.379 3.727 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408175394 841743007 /nfs/dbraw/zinc/74/30/07/841743007.db2.gz YXSKJBUHRNWXHL-RCCFBDPRSA-N 0 0 395.341 3.983 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1 ZINC000330245008 841842119 /nfs/dbraw/zinc/84/21/19/841842119.db2.gz KMSLXIWBRPACKH-UZLBHIALSA-N 0 0 384.501 3.526 10 0 GHAERN CC1(C)CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H]1c1cccs1 ZINC000329284064 861245748 /nfs/dbraw/zinc/24/57/48/861245748.db2.gz OIKODAFJJJAEJU-AXHNFQJDSA-N 0 0 381.563 3.856 10 0 GHAERN O=C([C@H]1CCc2ccccc21)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000329318559 861279426 /nfs/dbraw/zinc/27/94/26/861279426.db2.gz QYIPEPHNVRINCY-OALUTQOASA-N 0 0 381.476 3.747 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000246584033 842273569 /nfs/dbraw/zinc/27/35/69/842273569.db2.gz BCGIPFZLHIBNIQ-BMFZPTHFSA-N 0 0 391.302 3.672 10 0 GHAERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1Cc1ccc(N2CCCCCC2)nc1 ZINC000329357838 861321698 /nfs/dbraw/zinc/32/16/98/861321698.db2.gz HJQITEPQSIRNGR-QYZOEREBSA-N 0 0 382.508 3.557 10 0 GHAERN COc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)CC1=O ZINC000328846790 842576788 /nfs/dbraw/zinc/57/67/88/842576788.db2.gz SEBQHWCAYJLTSK-DOTOQJQBSA-N 0 0 399.516 3.567 10 0 GHAERN CC(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 ZINC000328868552 842726854 /nfs/dbraw/zinc/72/68/54/842726854.db2.gz XLLZIWLIFUNOQP-MIZPHKNDSA-N 0 0 396.535 3.796 10 0 GHAERN COc1cccc([C@@H](NC(=O)/C=C/c2ccncn2)c2cc(F)ccc2OC)c1 ZINC000588439576 842742288 /nfs/dbraw/zinc/74/22/88/842742288.db2.gz QLGZWFOQTODPGG-FGBWHXJSSA-N 0 0 393.418 3.552 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)cc1F ZINC000588440584 842749293 /nfs/dbraw/zinc/74/92/93/842749293.db2.gz MCITYGBOGQQVTO-SZGZABIGSA-N 0 0 380.423 3.696 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(F)cc3cccnc31)CCCC2 ZINC000279267140 842777961 /nfs/dbraw/zinc/77/79/61/842777961.db2.gz VSRLUUAJICAYBP-IBGZPJMESA-N 0 0 378.451 3.964 10 0 GHAERN COc1cccc([C@H]2CN(C(=O)/C(C)=C\c3ccc(OC)c(F)c3)CCO2)c1 ZINC000588446857 842874017 /nfs/dbraw/zinc/87/40/17/842874017.db2.gz LRHPZSYCWLWLGO-FWZXEQAJSA-N 0 0 385.435 3.846 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000247573779 842939013 /nfs/dbraw/zinc/93/90/13/842939013.db2.gz HMRPLUZIQJRENF-MJGOQNOKSA-N 0 0 397.523 3.527 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000247651048 843034549 /nfs/dbraw/zinc/03/45/49/843034549.db2.gz WJSASVAZMMKLII-KPFFTGBYSA-N 0 0 376.522 3.596 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162361981 843239898 /nfs/dbraw/zinc/23/98/98/843239898.db2.gz JVDOBXIAOGTMLN-UHFFFAOYSA-N 0 0 397.910 3.663 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000162440752 843260312 /nfs/dbraw/zinc/26/03/12/843260312.db2.gz RBGWOFDWKXXBDG-CABCVRRESA-N 0 0 375.875 3.797 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492527 843265348 /nfs/dbraw/zinc/26/53/48/843265348.db2.gz HYOZPKIDGCAXOA-AUUYWEPGSA-N 0 0 377.448 3.510 10 0 GHAERN Cc1nnc([C@H]2COCCN2C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)o1 ZINC000408383605 843275795 /nfs/dbraw/zinc/27/57/95/843275795.db2.gz AOAWQJIWXSPFGZ-GOSISDBHSA-N 0 0 383.492 3.941 10 0 GHAERN C[C@@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)c1nccs1 ZINC000588450803 843281382 /nfs/dbraw/zinc/28/13/82/843281382.db2.gz SUEZTPKPXATNMV-OFSNVTPPSA-N 0 0 387.324 3.599 10 0 GHAERN COc1cccc(Oc2ccc(CNC(=O)/C=C\c3ncccc3C)cn2)c1 ZINC000588452116 843308346 /nfs/dbraw/zinc/30/83/46/843308346.db2.gz PJJOOHVBJYGBJU-KTKRTIGZSA-N 0 0 375.428 3.916 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000588452886 843318064 /nfs/dbraw/zinc/31/80/64/843318064.db2.gz IURLRYGBCGWLEL-KHPPLWFESA-N 0 0 376.416 3.881 10 0 GHAERN COc1cc(NC(=O)/C=C\c2ncccc2C)cc(OC)c1Br ZINC000588453967 843332670 /nfs/dbraw/zinc/33/26/70/843332670.db2.gz LATFDVWEVNHCSU-SREVYHEPSA-N 0 0 377.238 3.822 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000112307322 843352198 /nfs/dbraw/zinc/35/21/98/843352198.db2.gz WCWMVGQXCYGKII-JKSUJKDBSA-N 0 0 388.920 3.880 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000112307262 843352225 /nfs/dbraw/zinc/35/22/25/843352225.db2.gz IDUXTFBICMWTHQ-SJORKVTESA-N 0 0 388.920 3.880 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000588455618 843357593 /nfs/dbraw/zinc/35/75/93/843357593.db2.gz SBLCUVMNPMMVBV-WHIOSMTNSA-N 0 0 388.467 3.832 10 0 GHAERN CCC[C@]1(C)CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000408251649 843601554 /nfs/dbraw/zinc/60/15/54/843601554.db2.gz DXSIMOLVFWIKQS-WIXQSORDSA-N 0 0 395.613 3.732 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259410 843624308 /nfs/dbraw/zinc/62/43/08/843624308.db2.gz KXWBGLLRPKQJFM-VGSWGCGISA-N 0 0 384.524 3.508 10 0 GHAERN O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408270129 843685729 /nfs/dbraw/zinc/68/57/29/843685729.db2.gz UUNKAQSGSAZMKF-OAQYLSRUSA-N 0 0 383.879 3.508 10 0 GHAERN O=C([C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl)N1CCc2cncnc2C1 ZINC000329474558 861496308 /nfs/dbraw/zinc/49/63/08/861496308.db2.gz ZZOAUIYYQHLVDT-QAPCUYQASA-N 0 0 392.286 3.836 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000333343458 844886823 /nfs/dbraw/zinc/88/68/23/844886823.db2.gz UCTCOAXXPHPMLN-ZYSHUDEJSA-N 0 0 378.538 3.622 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)c(Br)s1 ZINC000408470425 844897971 /nfs/dbraw/zinc/89/79/71/844897971.db2.gz VUZJQGGFYMQRKG-HSMVNMDESA-N 0 0 387.343 3.760 10 0 GHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](c2ccsc2)C1)c1ccc2c(c1)OCCO2 ZINC000246329190 845235380 /nfs/dbraw/zinc/23/53/80/845235380.db2.gz DNJWYCIUGFPPSZ-LPMFXHHGSA-N 0 0 388.489 3.752 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000151576300 845254881 /nfs/dbraw/zinc/25/48/81/845254881.db2.gz ADFPOSFIOSSDOI-CRAIPNDOSA-N 0 0 381.476 3.807 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(C(=O)N(C)C)cc3)C2)cc1 ZINC000151576374 845255101 /nfs/dbraw/zinc/25/51/01/845255101.db2.gz ADFPOSFIOSSDOI-MAUKXSAKSA-N 0 0 381.476 3.807 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246587853 845431319 /nfs/dbraw/zinc/43/13/19/845431319.db2.gz CNKDUKSJDXXDKQ-BOFPYLFWSA-N 0 0 393.325 3.773 10 0 GHAERN C[C@H]1CCc2sc(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)cc2C1 ZINC000026152812 845476083 /nfs/dbraw/zinc/47/60/83/845476083.db2.gz CNYBLZFUOZJECS-SWLSCSKDSA-N 0 0 375.515 3.521 10 0 GHAERN O=C(Nc1ccc(Cl)c(Br)c1)N1CCC(n2cncn2)CC1 ZINC000151766986 845700615 /nfs/dbraw/zinc/70/06/15/845700615.db2.gz VPGDTXUGJVYONI-UHFFFAOYSA-N 0 0 384.665 3.563 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)C1 ZINC000329541225 861625016 /nfs/dbraw/zinc/62/50/16/861625016.db2.gz DGSAUOHJQYFJNG-SJORKVTESA-N 0 0 377.554 3.505 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)C(=O)N[C@@H](c3ccccc3)C3CCC3)c2)no1 ZINC000105537990 846006870 /nfs/dbraw/zinc/00/68/70/846006870.db2.gz SAUHMPNFISWQKD-IBGZPJMESA-N 0 0 390.443 3.641 10 0 GHAERN CCCCOc1ccc(NC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)cn1 ZINC000588512426 846841861 /nfs/dbraw/zinc/84/18/61/846841861.db2.gz KFTHCWOORRKDCM-VURMDHGXSA-N 0 0 395.463 3.531 10 0 GHAERN Cc1cc(F)cc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c3c2CCC3)c1 ZINC000333635575 847675418 /nfs/dbraw/zinc/67/54/18/847675418.db2.gz WMYSOJLXVNPQMV-QMHKHESXSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@@H]1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)[C@@H]1C ZINC000329628063 861818535 /nfs/dbraw/zinc/81/85/35/861818535.db2.gz UNNQKZKPKZBCON-DZVNLGKHSA-N 0 0 376.545 3.610 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329638909 861861392 /nfs/dbraw/zinc/86/13/92/861861392.db2.gz AYAXHJGDZNMZQV-XJKSGUPXSA-N 0 0 398.488 3.806 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)C[C@H](NC(N)=O)c3cccs3)C2)sc1C ZINC000329657803 861921231 /nfs/dbraw/zinc/92/12/31/861921231.db2.gz NCEBQDHRRVUNLI-KGLIPLIRSA-N 0 0 392.550 3.741 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C(=O)NC4CCCC4)cc3)CCO2)o1 ZINC000153559777 848656397 /nfs/dbraw/zinc/65/63/97/848656397.db2.gz DOONYBOKRSRQBU-HXUWFJFHSA-N 0 0 397.475 3.866 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1-n1cccn1 ZINC000154505174 849305708 /nfs/dbraw/zinc/30/57/08/849305708.db2.gz DBMGSTYCERNOLN-HZPDHXFCSA-N 0 0 381.505 3.979 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccccc1-n1cccn1 ZINC000154505067 849305760 /nfs/dbraw/zinc/30/57/60/849305760.db2.gz DBMGSTYCERNOLN-JKSUJKDBSA-N 0 0 381.505 3.979 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155607571 849580697 /nfs/dbraw/zinc/58/06/97/849580697.db2.gz BOOOETXFQKUAHZ-QGZVFWFLSA-N 0 0 387.553 3.523 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)n1 ZINC000155742743 849623974 /nfs/dbraw/zinc/62/39/74/849623974.db2.gz VGDKNISHLBVUMX-UHFFFAOYSA-N 0 0 387.390 3.892 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1cccc(-c2ccccn2)c1 ZINC000155787306 849636948 /nfs/dbraw/zinc/63/69/48/849636948.db2.gz UKITXGWSIZZNRD-FQEVSTJZSA-N 0 0 389.480 3.868 10 0 GHAERN C[C@H](c1ccccc1C(F)(F)F)[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 ZINC000164059510 851221764 /nfs/dbraw/zinc/22/17/64/851221764.db2.gz VGNXTAWJHOGHRZ-KBPBESRZSA-N 0 0 395.429 3.836 10 0 GHAERN COc1ccccc1N1CC[C@@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000101517514 851634337 /nfs/dbraw/zinc/63/43/37/851634337.db2.gz VEJLRRXYCSMXQH-UUOWRZLLSA-N 0 0 378.516 3.932 10 0 GHAERN COc1ccccc1N1CC[C@H](CNC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000101517517 851634424 /nfs/dbraw/zinc/63/44/24/851634424.db2.gz VEJLRRXYCSMXQH-HOYKHHGWSA-N 0 0 378.516 3.932 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2cccc(Cn3ccnc3)c2)cc1C ZINC000101607711 851726765 /nfs/dbraw/zinc/72/67/65/851726765.db2.gz XCMSKLJHUSMWHX-UHFFFAOYSA-N 0 0 392.503 3.898 10 0 GHAERN COCCOc1ccc(CNC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101607954 851727598 /nfs/dbraw/zinc/72/75/98/851727598.db2.gz CYDAVWXGFIVZHE-UHFFFAOYSA-N 0 0 386.492 3.679 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N[C@H]1CCc3ccccc31)CC2 ZINC000121632470 851893614 /nfs/dbraw/zinc/89/36/14/851893614.db2.gz IYMKYFCKPIUXDQ-CJNGLKHVSA-N 0 0 375.394 3.712 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@H](c2ccccc2F)N2CCOCC2)c2ccccc2O1 ZINC000121658926 851893749 /nfs/dbraw/zinc/89/37/49/851893749.db2.gz JDEBMMJYTPDHFB-FPOVZHCZSA-N 0 0 398.478 3.618 10 0 GHAERN CC(=O)N(CCC(=O)Nc1nc2cc(Cl)ccc2n1C)Cc1ccccc1 ZINC000101820666 851933226 /nfs/dbraw/zinc/93/32/26/851933226.db2.gz WXARQWMKKCWXJM-UHFFFAOYSA-N 0 0 384.867 3.604 10 0 GHAERN CCOc1cccc([C@@H](C)NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000102008650 852086788 /nfs/dbraw/zinc/08/67/88/852086788.db2.gz PSBUQBKJVIJGIC-IAGOWNOFSA-N 0 0 389.540 3.729 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC[C@H](n3cc(C)cn3)C1)O[C@H](C)C2 ZINC000171887808 854263791 /nfs/dbraw/zinc/26/37/91/854263791.db2.gz WIZCBPHVLYVWDW-WBVHZDCISA-N 0 0 384.480 3.783 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3CCN[C@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651837 854489617 /nfs/dbraw/zinc/48/96/17/854489617.db2.gz KARDXZXTPIAUTL-PXAZEXFGSA-N 0 0 385.464 3.695 10 0 GHAERN Cc1nnc2c3ccccc3c(N3CCC[C@@H]3c3nc4c(n3C)CCCC4)nn12 ZINC000328846082 854573333 /nfs/dbraw/zinc/57/33/33/854573333.db2.gz XOKXFXNYTCHWSZ-LJQANCHMSA-N 0 0 387.491 3.540 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2Cc2nc3sc4c(c3c(N)n2)CCCC4)no1 ZINC000328869687 854590631 /nfs/dbraw/zinc/59/06/31/854590631.db2.gz PETBBGFUHQEQAB-CYBMUJFWSA-N 0 0 398.536 3.996 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000328948401 854612930 /nfs/dbraw/zinc/61/29/30/854612930.db2.gz HBACPWXFKYURBF-ZACQAIPSSA-N 0 0 393.409 3.749 10 0 GHAERN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000328985894 854641507 /nfs/dbraw/zinc/64/15/07/854641507.db2.gz UANZDYJZYATEKG-BTJLNZGRSA-N 0 0 378.398 3.538 10 0 GHAERN Cc1sc2nc(C)nc(N3C[C@@H](c4cnn(C(C)C)c4)[C@H](CO)C3)c2c1C ZINC000328991210 854643575 /nfs/dbraw/zinc/64/35/75/854643575.db2.gz SIDMZAOCOUUVAJ-IRXDYDNUSA-N 0 0 385.537 3.606 10 0 GHAERN C[C@H]1CCC[C@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000330121320 862592471 /nfs/dbraw/zinc/59/24/71/862592471.db2.gz GVNWRLUBZVRDCN-NRVIRDBHSA-N 0 0 395.507 3.623 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC(Cc2ccccc2)CC1 ZINC000072777020 854730594 /nfs/dbraw/zinc/73/05/94/854730594.db2.gz LTESWECBSUFCQE-UHFFFAOYSA-N 0 0 376.500 3.904 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@@](C)(c3cnn(C)c3)C2)c(C)n1C1CCCCC1 ZINC000127351525 854937160 /nfs/dbraw/zinc/93/71/60/854937160.db2.gz GDYAKIIMFQXONI-JOCHJYFZSA-N 0 0 384.524 3.731 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 ZINC000102378889 854968817 /nfs/dbraw/zinc/96/88/17/854968817.db2.gz OVQBFXKQUPQPJM-LJQANCHMSA-N 0 0 396.462 3.741 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)N[C@H](C)CCCC(C)C)n2)c1 ZINC000105689603 855131819 /nfs/dbraw/zinc/13/18/19/855131819.db2.gz XSGVUFQATNEEIH-JWIGPWBQSA-N 0 0 391.537 3.625 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105712409 855135905 /nfs/dbraw/zinc/13/59/05/855135905.db2.gz KVLBMFJCGZIUBU-JGTBNHKDSA-N 0 0 387.461 3.729 10 0 GHAERN Cc1cccc(C(C)C)c1NC(=O)C[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711921 855135935 /nfs/dbraw/zinc/13/59/35/855135935.db2.gz HBCDIBUWKAATDR-HHHXNRCGSA-N 0 0 387.461 3.649 10 0 GHAERN CC(=O)c1ccc(OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc1F ZINC000105936442 855154821 /nfs/dbraw/zinc/15/48/21/855154821.db2.gz DKSAGSKSLFNACU-UHFFFAOYSA-N 0 0 395.434 3.526 10 0 GHAERN Cc1c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cccc1N1CCNC1=O ZINC000190662932 855497308 /nfs/dbraw/zinc/49/73/08/855497308.db2.gz HAVXZSWGTCTNIP-HNNXBMFYSA-N 0 0 383.414 3.575 10 0 GHAERN Cc1cc(I)ccc1NC(=O)N(C)[C@@H](C)c1cnn(C)c1 ZINC000182013674 855611801 /nfs/dbraw/zinc/61/18/01/855611801.db2.gz NBAHUPNQVPIWGM-NSHDSACASA-N 0 0 398.248 3.558 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@H]1C ZINC000191458649 855648525 /nfs/dbraw/zinc/64/85/25/855648525.db2.gz SMXXCJPDXRAONH-OLZOCXBDSA-N 0 0 384.879 3.597 10 0 GHAERN CC[C@H](C)[C@H](NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)OC ZINC000104335158 856333198 /nfs/dbraw/zinc/33/31/98/856333198.db2.gz IWMSKDDIDDOISF-UFBFGSQYSA-N 0 0 388.411 3.941 10 0 GHAERN CC[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1cccc(S(N)(=O)=O)c1 ZINC000104903156 856444978 /nfs/dbraw/zinc/44/49/78/856444978.db2.gz GDLHCCVDVMUJCU-HNNXBMFYSA-N 0 0 392.864 3.615 10 0 GHAERN O=C(COC(c1ccccc1)c1ccccc1)NC[C@@H](O)Cc1ccccc1 ZINC000104908577 856445803 /nfs/dbraw/zinc/44/58/03/856445803.db2.gz IPLCMODEDNZYNH-QFIPXVFZSA-N 0 0 375.468 3.512 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)CCOc3cc(C)cc(C)c3)C2)c1 ZINC000102383422 856645459 /nfs/dbraw/zinc/64/54/59/856645459.db2.gz DWIUOBRPCFAXRW-IBGZPJMESA-N 0 0 382.504 3.724 10 0 GHAERN Cc1ccc(OCCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000045139588 856695556 /nfs/dbraw/zinc/69/55/56/856695556.db2.gz OFHGJJCDVYUHRK-UHFFFAOYSA-N 0 0 386.536 3.714 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)N2CCN(c3nc4ccccc4o3)CC2)s1 ZINC000172387859 857389860 /nfs/dbraw/zinc/38/98/60/857389860.db2.gz FXNHCRGEIKAGLC-CQSZACIVSA-N 0 0 384.505 3.661 10 0 GHAERN O=C(NC1CC1)c1noc([C@H]2CCCN2Cc2csc(Cl)c2Cl)n1 ZINC000330341427 863023522 /nfs/dbraw/zinc/02/35/22/863023522.db2.gz ZEYWZFCMYHMCMO-SNVBAGLBSA-N 0 0 387.292 3.667 10 0 GHAERN CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129977467 858511310 /nfs/dbraw/zinc/51/13/10/858511310.db2.gz SZYQVDTXDSQMHM-ROUUACIJSA-N 0 0 385.508 3.522 10 0 GHAERN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000027850444 858735183 /nfs/dbraw/zinc/73/51/83/858735183.db2.gz HAFUEFKEBSUXPL-GHMZBOCLSA-N 0 0 399.438 3.564 10 0 GHAERN Cc1ccc2[nH]c3c(c2c1)C[C@H](N1C(=O)[C@@H]2C[C@H]4CCCC[C@@H]4N2C1=O)CC3 ZINC000330353528 863059023 /nfs/dbraw/zinc/05/90/23/863059023.db2.gz OOKNNQYCBTUXMH-RPQNVMPDSA-N 0 0 377.488 3.929 10 0 GHAERN CCCC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130112272 859371757 /nfs/dbraw/zinc/37/17/57/859371757.db2.gz WZNCJBXIGITAJA-DLBZAZTESA-N 0 0 388.533 3.641 10 0 GHAERN C[C@H]1Oc2c(cccc2C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)NC1=O ZINC000130133652 859452920 /nfs/dbraw/zinc/45/29/20/859452920.db2.gz YDFDUVDINSANPE-RDTXWAMCSA-N 0 0 392.455 3.972 10 0 GHAERN CCOc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000105380989 859820627 /nfs/dbraw/zinc/82/06/27/859820627.db2.gz WFHJGLVOIMYPFX-XLIONFOSSA-N 0 0 380.488 3.620 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000164641855 859966092 /nfs/dbraw/zinc/96/60/92/859966092.db2.gz HOYMSPCHIRPBJI-RNODOKPDSA-N 0 0 391.418 3.995 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)NCc1cc(F)cc3c1OCOC3)CCC2 ZINC000171906687 860430426 /nfs/dbraw/zinc/43/04/26/860430426.db2.gz SPIZFCSIKVDLFN-MRXNPFEDSA-N 0 0 391.468 3.676 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCO2)c1 ZINC000171912357 860430482 /nfs/dbraw/zinc/43/04/82/860430482.db2.gz ZTZKCCACLFOMIO-INIZCTEOSA-N 0 0 397.504 3.612 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000172352900 860432794 /nfs/dbraw/zinc/43/27/94/860432794.db2.gz RBCQYXCTYAVLCV-VQIMIIECSA-N 0 0 382.435 3.954 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000172520344 860433952 /nfs/dbraw/zinc/43/39/52/860433952.db2.gz JMPAOSXAQCNSKE-AEFFLSMTSA-N 0 0 387.915 3.820 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccccc1N1CCCCC1 ZINC000103566471 881562607 /nfs/dbraw/zinc/56/26/07/881562607.db2.gz NPEQRQUQGOGHFQ-UHFFFAOYSA-N 0 0 376.501 3.713 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000173069472 860648322 /nfs/dbraw/zinc/64/83/22/860648322.db2.gz INCLPFNUJFPXOB-CZUORRHYSA-N 0 0 387.530 3.661 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3N(C)C(=O)C3CC3)C2)n1 ZINC000173075107 860697251 /nfs/dbraw/zinc/69/72/51/860697251.db2.gz LJVGGKFWRSLUNS-MRXNPFEDSA-N 0 0 383.517 3.844 10 0 GHAERN C[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683970 860838216 /nfs/dbraw/zinc/83/82/16/860838216.db2.gz MOCNVDSOKUWEJV-DYVFJYSZSA-N 0 0 389.293 3.740 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)S(=O)(=O)c1cccc(Cl)c1C ZINC000102935214 860908170 /nfs/dbraw/zinc/90/81/70/860908170.db2.gz UDBDGMJQYAXSGK-UHFFFAOYSA-N 0 0 394.924 3.561 10 0 GHAERN COc1ccc(-c2cnc(CS(=O)(=O)Cc3ccc(F)c(F)c3)o2)cc1 ZINC000102948429 860913544 /nfs/dbraw/zinc/91/35/44/860913544.db2.gz OBGCTSMNMWYATL-UHFFFAOYSA-N 0 0 379.384 3.743 10 0 GHAERN Cc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1 ZINC000102989988 860933932 /nfs/dbraw/zinc/93/39/32/860933932.db2.gz ZWYLAKCQPQZMID-QZTJIDSGSA-N 0 0 381.520 3.598 10 0 GHAERN CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccc(F)cc1 ZINC000103037278 863483827 /nfs/dbraw/zinc/48/38/27/863483827.db2.gz DOOAXOJDZAWOBH-SFHVURJKSA-N 0 0 388.508 3.515 10 0 GHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)NCCCc1nc(C(C)C)no1 ZINC000103290742 863940792 /nfs/dbraw/zinc/94/07/92/863940792.db2.gz SQGJUCKQNDYJPJ-UHFFFAOYSA-N 0 0 396.451 3.838 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C ZINC000105006541 864782926 /nfs/dbraw/zinc/78/29/26/864782926.db2.gz GSRWDCPTIKWUDY-UHFFFAOYSA-N 0 0 384.520 3.517 10 0 GHAERN Cc1nc(-c2cccnc2)nc(N2CCC(c3noc(C4CC4)n3)CC2)c1C ZINC000302168646 865745917 /nfs/dbraw/zinc/74/59/17/865745917.db2.gz KQVUTPVDBRWKHG-UHFFFAOYSA-N 0 0 376.464 3.800 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2nnc(-c3ccccn3)s2)c2ccc(F)cc2C1 ZINC000302190410 865758482 /nfs/dbraw/zinc/75/84/82/865758482.db2.gz KSBSRISLJRXAPZ-MRXNPFEDSA-N 0 0 383.452 3.645 10 0 GHAERN O=c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH]c2sc3c(c21)CCC3 ZINC000102929055 865762355 /nfs/dbraw/zinc/76/23/55/865762355.db2.gz KRDZJKPEQFUGPH-CQSZACIVSA-N 0 0 395.484 3.539 10 0 GHAERN CC(C)(C)c1csc([C@H]2CN(c3cc(N4CCCCC4)ncn3)CCO2)n1 ZINC000110412731 866624972 /nfs/dbraw/zinc/62/49/72/866624972.db2.gz FGKKYJUDRFKPHE-OAHLLOKOSA-N 0 0 387.553 3.799 10 0 GHAERN CC(C)[C@@H](NC(=O)NC[C@@H]1CCN(C)c2ccccc21)c1nc(C2CC2)no1 ZINC000170811708 882058340 /nfs/dbraw/zinc/05/83/40/882058340.db2.gz UWDXAJZDLICHHQ-MAUKXSAKSA-N 0 0 383.496 3.567 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC(n2cncn2)CC1 ZINC000171005615 882066242 /nfs/dbraw/zinc/06/62/42/882066242.db2.gz ZIJXVEIGQQYFNG-OAHLLOKOSA-N 0 0 377.901 3.515 10 0 GHAERN Cc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)C(C)C)c1 ZINC000170890864 882067314 /nfs/dbraw/zinc/06/73/14/882067314.db2.gz FQGFIZICNRDYJZ-ROUUACIJSA-N 0 0 385.533 3.612 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cccc(CN2CCCC2=O)c1 ZINC000171225581 882089896 /nfs/dbraw/zinc/08/98/96/882089896.db2.gz KVVQUYUVDFEXEW-QHCPKHFHSA-N 0 0 385.467 3.723 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@H]1CCCOc2cc(Cl)ccc21 ZINC000245610452 867684459 /nfs/dbraw/zinc/68/44/59/867684459.db2.gz BAZGBINXMNJJRF-ALKREAHSSA-N 0 0 396.940 3.908 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171615198 882116698 /nfs/dbraw/zinc/11/66/98/882116698.db2.gz FUKWLWJHXKXDIO-IERDGZPVSA-N 0 0 377.488 3.771 10 0 GHAERN Cc1[nH]c(C(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1C(=O)OC(C)C ZINC000171644124 882119945 /nfs/dbraw/zinc/11/99/45/882119945.db2.gz FDTCIBCPGXEEGX-CQSZACIVSA-N 0 0 375.494 3.673 10 0 GHAERN O=C(N[C@@H](c1nccs1)c1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000171496595 882135161 /nfs/dbraw/zinc/13/51/61/882135161.db2.gz QXZBEIOMVYSXBF-HXUWFJFHSA-N 0 0 391.496 3.785 10 0 GHAERN O=C(N[C@H](c1nccs1)c1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000171496592 882135255 /nfs/dbraw/zinc/13/52/55/882135255.db2.gz QXZBEIOMVYSXBF-FQEVSTJZSA-N 0 0 391.496 3.785 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000171767271 882160151 /nfs/dbraw/zinc/16/01/51/882160151.db2.gz CVNMIKJMTIULMO-HUUCEWRRSA-N 0 0 387.270 3.994 10 0 GHAERN O=C(NCc1ccc(Cl)s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171849247 882164088 /nfs/dbraw/zinc/16/40/88/882164088.db2.gz BTCBCCXQVSPHOE-UHFFFAOYSA-N 0 0 383.926 3.521 10 0 GHAERN Cc1ccccc1[C@H](CC(C)C)NC(=O)NCc1cccnc1-n1cncn1 ZINC000171850216 882164521 /nfs/dbraw/zinc/16/45/21/882164521.db2.gz WLWROWPLEBNYQQ-IBGZPJMESA-N 0 0 378.480 3.557 10 0 GHAERN Cc1cccnc1[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C(C)C ZINC000172083084 882167726 /nfs/dbraw/zinc/16/77/26/882167726.db2.gz BOCCIQXWBMTDOO-GOSISDBHSA-N 0 0 385.533 3.817 10 0 GHAERN O=C(/C=C/c1ccnc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000172100131 882168968 /nfs/dbraw/zinc/16/89/68/882168968.db2.gz KATCCBKEISRQCJ-MDZDMXLPSA-N 0 0 391.515 3.889 10 0 GHAERN CCc1nc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000171913791 882178371 /nfs/dbraw/zinc/17/83/71/882178371.db2.gz KQWZSCAAJFFKFY-CYBMUJFWSA-N 0 0 389.496 3.574 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)N1CCc2sccc2C1 ZINC000172224737 882188764 /nfs/dbraw/zinc/18/87/64/882188764.db2.gz YEEDHPCHEPABDT-GDBMZVCRSA-N 0 0 390.578 3.540 10 0 GHAERN CCc1nc(COc2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2)no1 ZINC000172212219 882186521 /nfs/dbraw/zinc/18/65/21/882186521.db2.gz LQKGHZHLCPEKEZ-HNNXBMFYSA-N 0 0 398.488 3.687 10 0 GHAERN O=C(NC1(c2ccccc2F)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172451357 882277782 /nfs/dbraw/zinc/27/77/82/882277782.db2.gz KLVINLPUMFIRTD-UHFFFAOYSA-N 0 0 384.426 3.623 10 0 GHAERN Cc1ccc([C@@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000172464140 882278873 /nfs/dbraw/zinc/27/88/73/882278873.db2.gz ZDLTYKTZKFHOBD-KRWDZBQOSA-N 0 0 382.479 3.906 10 0 GHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172534301 882294580 /nfs/dbraw/zinc/29/45/80/882294580.db2.gz MMIBOOUXCGEGMY-ZDUSSCGKSA-N 0 0 390.399 3.641 10 0 GHAERN O=C(c1cccc(OCC(F)(F)F)n1)N1CCC(Cc2ccccn2)CC1 ZINC000172544162 882294400 /nfs/dbraw/zinc/29/44/00/882294400.db2.gz GAXQSLSWPOGZLF-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000172621270 882299703 /nfs/dbraw/zinc/29/97/03/882299703.db2.gz VHKHRHJVXIDSBY-UNMCSNQZSA-N 0 0 375.472 3.636 10 0 GHAERN Cc1cccc([C@H](C)CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000172612165 882299715 /nfs/dbraw/zinc/29/97/15/882299715.db2.gz VZBRGGLGUCMWIM-LJQANCHMSA-N 0 0 385.552 3.923 10 0 GHAERN CC[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(Cl)c1 ZINC000172751260 882306494 /nfs/dbraw/zinc/30/64/94/882306494.db2.gz VHQSUHPKZDZXED-SFHVURJKSA-N 0 0 385.895 3.855 10 0 GHAERN COc1ccc(-c2n[nH]cc2C(=O)N2CCC(c3nc(C)cs3)CC2)cc1 ZINC000172767955 882307232 /nfs/dbraw/zinc/30/72/32/882307232.db2.gz LLNVGTIHBYYZHD-UHFFFAOYSA-N 0 0 382.489 3.870 10 0 GHAERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173078124 882319722 /nfs/dbraw/zinc/31/97/22/882319722.db2.gz ACKUHSKJTDAHIZ-MRXNPFEDSA-N 0 0 399.922 3.677 10 0 GHAERN Cc1csc(N(C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C2CC2)n1 ZINC000173124048 882350985 /nfs/dbraw/zinc/35/09/85/882350985.db2.gz KYKLFTRNRJFTCS-UHFFFAOYSA-N 0 0 387.480 3.638 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000173364561 882355716 /nfs/dbraw/zinc/35/57/16/882355716.db2.gz ZGZHUCHXGTZEBA-MRXNPFEDSA-N 0 0 392.571 3.515 10 0 GHAERN Brc1ccc(-c2cnc(CN3CCC(n4cncn4)CC3)o2)cc1 ZINC000173599837 882383227 /nfs/dbraw/zinc/38/32/27/882383227.db2.gz KAVWURPUKGURRR-UHFFFAOYSA-N 0 0 388.269 3.533 10 0 GHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(Br)cnc1Cl ZINC000173774777 882401181 /nfs/dbraw/zinc/40/11/81/882401181.db2.gz BBLLVDHYBZVJGN-CHWSQXEVSA-N 0 0 383.677 3.608 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(-n4cncn4)cc3C)C2)cc1 ZINC000173848679 882410040 /nfs/dbraw/zinc/41/00/40/882410040.db2.gz XVEYXZDNUCKJFU-WMZOPIPTSA-N 0 0 376.460 3.603 10 0 GHAERN O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000428192000 870553408 /nfs/dbraw/zinc/55/34/08/870553408.db2.gz ZBIXWLZHZZMZDD-MELADBBJSA-N 0 0 379.494 3.713 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)ccc1N1C(=O)CCC1=O ZINC000114815794 870654173 /nfs/dbraw/zinc/65/41/73/870654173.db2.gz KBZNLCVYWNIUOV-AWEZNQCLSA-N 0 0 398.488 3.516 10 0 GHAERN Cn1c(Cc2csc(NC(=O)[C@]3(C)CCCc4ccccc43)n2)n[nH]c1=S ZINC000103187772 871423538 /nfs/dbraw/zinc/42/35/38/871423538.db2.gz HJAIGDGHEKNDAA-LJQANCHMSA-N 0 0 399.545 3.758 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)NC3CCN(c4cccc(C)n4)CC3)C2)n1 ZINC000175027459 882517187 /nfs/dbraw/zinc/51/71/87/882517187.db2.gz WRYFVSJLEALJCA-QGZVFWFLSA-N 0 0 399.564 3.713 10 0 GHAERN Cc1c(C(=O)N[C@@H](c2ccco2)c2ccccc2)cccc1N1CCNC1=O ZINC000175034211 882516575 /nfs/dbraw/zinc/51/65/75/882516575.db2.gz SJSRXZDZEKUMFN-HXUWFJFHSA-N 0 0 375.428 3.637 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000175056549 882519980 /nfs/dbraw/zinc/51/99/80/882519980.db2.gz BRBBHFVWDGKFRK-MAUKXSAKSA-N 0 0 388.508 3.657 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCCNC4=O)c3)C2)cc1 ZINC000175348581 882544795 /nfs/dbraw/zinc/54/47/95/882544795.db2.gz KDDXMYKRLNTYJA-APWZRJJASA-N 0 0 393.487 3.633 10 0 GHAERN CC[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)C(C)(C)c1ccccc1 ZINC000175352741 882544845 /nfs/dbraw/zinc/54/48/45/882544845.db2.gz NMAQEZQQEOGRCX-NRFANRHFSA-N 0 0 398.551 3.521 10 0 GHAERN Cn1c2ccccc2nc1[C@H](NC(=O)c1ncncc1Cl)c1ccccc1 ZINC000175171199 882555124 /nfs/dbraw/zinc/55/51/24/882555124.db2.gz VQIMWEYDZMOTOT-QGZVFWFLSA-N 0 0 377.835 3.536 10 0 GHAERN CCC[C@H](CCc1ccccc1)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000175526926 882594683 /nfs/dbraw/zinc/59/46/83/882594683.db2.gz UKKFAUONDOVIHA-OAQYLSRUSA-N 0 0 398.551 3.566 10 0 GHAERN CN1C(=O)CC[C@@H](C(=O)N2CCC(OCC3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000175616758 882605571 /nfs/dbraw/zinc/60/55/71/882605571.db2.gz AOUQXHNASZFMBB-FYYLOGMGSA-N 0 0 398.547 3.794 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2ccc([S@@](C)=O)cc2)CC1 ZINC000175743083 882619510 /nfs/dbraw/zinc/61/95/10/882619510.db2.gz GWDBLZUFPIPGFI-HHHXNRCGSA-N 0 0 386.517 3.919 10 0 GHAERN c1csc(Cn2cccc2CN2CCn3c(nnc3-c3ccccc3)C2)c1 ZINC000093842612 882621411 /nfs/dbraw/zinc/62/14/11/882621411.db2.gz GEOXQFUTRRZJMP-UHFFFAOYSA-N 0 0 375.501 3.872 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)ccc1F ZINC000175817269 882635646 /nfs/dbraw/zinc/63/56/46/882635646.db2.gz VXVNTDGPUYWLCD-ZBFHGGJFSA-N 0 0 375.404 3.506 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000175825749 882636201 /nfs/dbraw/zinc/63/62/01/882636201.db2.gz ZVBLGMRFUSJZED-MUUNZHRXSA-N 0 0 397.544 3.731 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cnc1Cl ZINC000175988234 882653944 /nfs/dbraw/zinc/65/39/44/882653944.db2.gz MLZACLDLQYGBOL-UHFFFAOYSA-N 0 0 375.831 3.673 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102729382 873516187 /nfs/dbraw/zinc/51/61/87/873516187.db2.gz CYMGAZDBPWFDNA-KBXCAEBGSA-N 0 0 397.450 3.509 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3sccc3Br)CC2)n1 ZINC000116669319 873614738 /nfs/dbraw/zinc/61/47/38/873614738.db2.gz PLKARMPCOXIMKX-UHFFFAOYSA-N 0 0 380.311 3.613 10 0 GHAERN COCCn1c(C)c(C)nc1[S@](=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000177099717 882784161 /nfs/dbraw/zinc/78/41/61/882784161.db2.gz DXPNGXHOKDEOJX-AREMUKBSSA-N 0 0 393.896 3.763 10 0 GHAERN CC(C)C(=O)Nc1nc(CC(=O)N2CC=C(c3cccs3)CC2)cs1 ZINC000117722732 874147942 /nfs/dbraw/zinc/14/79/42/874147942.db2.gz IXKQHMYZQQJGHL-UHFFFAOYSA-N 0 0 375.519 3.658 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(Cc2cc(=O)oc3c(C)c(C)ccc23)C1=O ZINC000004305865 874215116 /nfs/dbraw/zinc/21/51/16/874215116.db2.gz FZKRYHWLCBEFGC-HSZRJFAPSA-N 0 0 390.439 3.767 10 0 GHAERN CCCCCOCC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000177547055 882813134 /nfs/dbraw/zinc/81/31/34/882813134.db2.gz QTPQBJQTAXINQN-UHFFFAOYSA-N 0 0 381.860 3.724 10 0 GHAERN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3c4ccccc4CCC3(C)C)cc21 ZINC000161799519 874412808 /nfs/dbraw/zinc/41/28/08/874412808.db2.gz WMGBGENHLOSQFE-NRFANRHFSA-N 0 0 398.528 3.588 10 0 GHAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000118329812 874495615 /nfs/dbraw/zinc/49/56/15/874495615.db2.gz FFQUSHZWCLQPEO-LBPRGKRZSA-N 0 0 398.937 3.610 10 0 GHAERN COc1cccc2c1CC[C@H]2NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177621828 882838002 /nfs/dbraw/zinc/83/80/02/882838002.db2.gz JOSSOIXRTUDIAQ-HXUWFJFHSA-N 0 0 399.535 3.507 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000177626942 882838047 /nfs/dbraw/zinc/83/80/47/882838047.db2.gz ITNIFBDLVLGAME-QGZVFWFLSA-N 0 0 387.439 3.603 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C[C@H](O)c3ccccc3)nc21 ZINC000177655828 882840509 /nfs/dbraw/zinc/84/05/09/882840509.db2.gz HTZNMDPDGONBGW-QUCCMNQESA-N 0 0 377.488 3.919 10 0 GHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000119221813 875022233 /nfs/dbraw/zinc/02/22/33/875022233.db2.gz LUKBKEBWIQMRQJ-UHFFFAOYSA-N 0 0 383.414 3.750 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000105195005 875109702 /nfs/dbraw/zinc/10/97/02/875109702.db2.gz SDMXCYCRZKZPQM-SFHVURJKSA-N 0 0 394.519 3.934 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1 ZINC000119367309 875139742 /nfs/dbraw/zinc/13/97/42/875139742.db2.gz LUMKRGCLBNYOHV-SNAWJCMRSA-N 0 0 398.492 3.522 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)N[C@H]2Cc3ccccc3[C@H]2O)on1 ZINC000178314494 882903390 /nfs/dbraw/zinc/90/33/90/882903390.db2.gz PQFRNWQTHDCKFW-AZUAARDMSA-N 0 0 380.469 3.663 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000178434938 882913623 /nfs/dbraw/zinc/91/36/23/882913623.db2.gz UZGYIVWYDKBMHB-UHFFFAOYSA-N 0 0 396.413 3.848 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC(Cc3nccn3C)CC1)O[C@@H](C)C2 ZINC000178434354 882914181 /nfs/dbraw/zinc/91/41/81/882914181.db2.gz UCTHWGQJLFGPKP-HNNXBMFYSA-N 0 0 398.507 3.629 10 0 GHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1C ZINC000179051895 882948851 /nfs/dbraw/zinc/94/88/51/882948851.db2.gz LOARRZHGTATGGD-MRXNPFEDSA-N 0 0 377.448 3.652 10 0 GHAERN Nc1c(Cl)cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1Cl ZINC000179276166 882985261 /nfs/dbraw/zinc/98/52/61/882985261.db2.gz QXUNKHMQYAIHJW-UHFFFAOYSA-N 0 0 398.334 3.830 10 0 GHAERN O=C(Cc1c[nH]c2ncccc12)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000120447130 876033030 /nfs/dbraw/zinc/03/30/30/876033030.db2.gz YYQBLYQKQBHHID-KRWDZBQOSA-N 0 0 385.471 3.902 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC000120734881 876251565 /nfs/dbraw/zinc/25/15/65/876251565.db2.gz GDDIUFWSRXBIMU-HZPDHXFCSA-N 0 0 393.553 3.851 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)n1 ZINC000120734704 876251583 /nfs/dbraw/zinc/25/15/83/876251583.db2.gz GDDIUFWSRXBIMU-HOTGVXAUSA-N 0 0 393.553 3.851 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000179606315 883013736 /nfs/dbraw/zinc/01/37/36/883013736.db2.gz JLSHQWIVJWFVJG-LJQANCHMSA-N 0 0 376.460 3.734 10 0 GHAERN COc1ccc(-n2nc(C(=O)N3CCC(c4nc(C)cs4)CC3)cc2C)cc1 ZINC000180120222 883022007 /nfs/dbraw/zinc/02/20/07/883022007.db2.gz XALHGTZFTLIDDR-UHFFFAOYSA-N 0 0 396.516 3.974 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000179775692 883026394 /nfs/dbraw/zinc/02/63/94/883026394.db2.gz XTFWIODMUXIASP-PKOBYXMFSA-N 0 0 395.434 3.705 10 0 GHAERN CCOc1cc(Cl)ccc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000180003034 883044891 /nfs/dbraw/zinc/04/48/91/883044891.db2.gz DUIAVUPEQQRHPE-UHFFFAOYSA-N 0 0 392.927 3.994 10 0 GHAERN CCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(OC)cc1 ZINC000004242026 877600030 /nfs/dbraw/zinc/60/00/30/877600030.db2.gz XZSHBHLBBYJHCM-UHFFFAOYSA-N 0 0 376.526 3.761 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000122055664 878245177 /nfs/dbraw/zinc/24/51/77/878245177.db2.gz AQIWBHLAJZULMJ-QAPCUYQASA-N 0 0 393.487 3.592 10 0 GHAERN COc1ccc(C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1-c1ccccn1 ZINC000122202371 878554651 /nfs/dbraw/zinc/55/46/51/878554651.db2.gz DWEXTSMVODZNJH-OAQYLSRUSA-N 0 0 399.454 3.703 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249427858 879665581 /nfs/dbraw/zinc/66/55/81/879665581.db2.gz JBAYHFLGGJMMQX-CXMBCZLWSA-N 0 0 392.368 3.905 10 0 GHAERN Cc1nc(-c2c[nH]c(C(=O)N3CCC(Oc4ccc(C)cn4)CC3)c2)cs1 ZINC000181197429 883126242 /nfs/dbraw/zinc/12/62/42/883126242.db2.gz BKTIVYCHEQQSJZ-UHFFFAOYSA-N 0 0 382.489 3.834 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(c1nnc(Cc3ccccc3F)s1)C2 ZINC000181850613 883188531 /nfs/dbraw/zinc/18/85/31/883188531.db2.gz OFJHNRVQWYJASE-UHFFFAOYSA-N 0 0 382.464 3.789 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)NCCc3ccc(Cl)s3)C2)c1 ZINC000102445097 883208398 /nfs/dbraw/zinc/20/83/98/883208398.db2.gz YBSFEYGDPDHRAP-CQSZACIVSA-N 0 0 393.940 3.778 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000182367096 883217539 /nfs/dbraw/zinc/21/75/39/883217539.db2.gz CSYSFEQQEYITLA-MJGOQNOKSA-N 0 0 395.507 3.779 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1F ZINC000182588012 883227045 /nfs/dbraw/zinc/22/70/45/883227045.db2.gz UQDNYQFBUREFFS-CVEARBPZSA-N 0 0 375.404 3.506 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnn(CCC(F)(F)F)c3)C2)cc1 ZINC000182772864 883236459 /nfs/dbraw/zinc/23/64/59/883236459.db2.gz IJQQEWRPLPYOFL-DZGCQCFKSA-N 0 0 381.398 3.862 10 0 GHAERN Cc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183070345 883259106 /nfs/dbraw/zinc/25/91/06/883259106.db2.gz GDLQENKGLWRPOA-ZDUSSCGKSA-N 0 0 378.274 3.943 10 0 GHAERN CSCCCCCCNC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000183268566 883274906 /nfs/dbraw/zinc/27/49/06/883274906.db2.gz HNZNZEJAKBDQHX-UHFFFAOYSA-N 0 0 383.583 3.529 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184015805 883297930 /nfs/dbraw/zinc/29/79/30/883297930.db2.gz HTYLVHXSNDBSMP-OPAMFIHVSA-N 0 0 397.494 3.858 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184020305 883299383 /nfs/dbraw/zinc/29/93/83/883299383.db2.gz XGMSSHVWKGMVSC-HKBOAZHASA-N 0 0 399.441 3.613 10 0 GHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000184715837 883381349 /nfs/dbraw/zinc/38/13/49/883381349.db2.gz RTGCORZYVIRVJQ-SFYZADRCSA-N 0 0 396.378 3.622 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N3CC[C@H](c4ccccc4)C3)C2)c1 ZINC000102464040 883424657 /nfs/dbraw/zinc/42/46/57/883424657.db2.gz QWTARKOVUUWIRE-QUCCMNQESA-N 0 0 379.504 3.721 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)c2ccc(F)cc2C1 ZINC000185276759 883431088 /nfs/dbraw/zinc/43/10/88/883431088.db2.gz HEVUXXOXECEUDH-SFHVURJKSA-N 0 0 399.470 3.528 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)o1 ZINC000185371857 883442326 /nfs/dbraw/zinc/44/23/26/883442326.db2.gz IGWCRUDOIMTGMJ-NFIDKWMQSA-N 0 0 378.472 3.837 10 0 GHAERN C[C@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cn(C)c2ccccc12 ZINC000185387929 883445694 /nfs/dbraw/zinc/44/56/94/883445694.db2.gz FLQKRMVBSJYUAD-INIZCTEOSA-N 0 0 395.528 3.718 10 0 GHAERN COc1ccc(CCCC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185505202 883547193 /nfs/dbraw/zinc/54/71/93/883547193.db2.gz QQHPINZHWFPFOR-JOCHJYFZSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H]2SCCc3ccccc32)c2ccc(F)cc2C1 ZINC000185513844 883548843 /nfs/dbraw/zinc/54/88/43/883548843.db2.gz SDEPZHPPWPVNNV-RTWAWAEBSA-N 0 0 398.503 3.766 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@H](C)c2c(C)noc2C)c2ccc(F)cc2C1 ZINC000185522950 883550246 /nfs/dbraw/zinc/55/02/46/883550246.db2.gz VLSRVLSBPHCJKW-HXPMCKFVSA-N 0 0 387.455 3.534 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185566294 883558532 /nfs/dbraw/zinc/55/85/32/883558532.db2.gz OXYSSZLZYUHQFR-FQEVSTJZSA-N 0 0 386.442 3.852 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000185706250 883579551 /nfs/dbraw/zinc/57/95/51/883579551.db2.gz GTZKMMJBGDZOGY-FQEVSTJZSA-N 0 0 390.487 3.658 10 0 GHAERN CN1Cc2cc(NC(=O)c3cc(Br)cnc3Cl)ccc2NC1=O ZINC000185891564 883599070 /nfs/dbraw/zinc/59/90/70/883599070.db2.gz WQWVDJWPKJXGRW-UHFFFAOYSA-N 0 0 395.644 3.727 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(-c4cc[nH]n4)c3)CC2)n1 ZINC000185961835 883609487 /nfs/dbraw/zinc/60/94/87/883609487.db2.gz UPOHOURDBAXLMV-UHFFFAOYSA-N 0 0 376.464 3.571 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N(Cc3ccccc3)C3CC3)C2)c1 ZINC000102578204 883628841 /nfs/dbraw/zinc/62/88/41/883628841.db2.gz IGEMILBXPJWDQV-LJQANCHMSA-N 0 0 379.504 3.896 10 0 GHAERN C[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1cc(Cl)ccc1Cl ZINC000186292917 883636561 /nfs/dbraw/zinc/63/65/61/883636561.db2.gz WGFSTMYOGCOXCN-NSHDSACASA-N 0 0 391.262 3.530 10 0 GHAERN CCC(CC)c1cc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)on1 ZINC000186403508 883640815 /nfs/dbraw/zinc/64/08/15/883640815.db2.gz VWJHZXGLAILBLA-UHFFFAOYSA-N 0 0 378.419 3.980 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3OC(F)F)ccc2NC1=O ZINC000186606198 883673227 /nfs/dbraw/zinc/67/32/27/883673227.db2.gz VJHLVPQIXVNTKP-UHFFFAOYSA-N 0 0 376.363 3.587 10 0 GHAERN O=C(CCN1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1F ZINC000186623513 883677587 /nfs/dbraw/zinc/67/75/87/883677587.db2.gz OUMXHTLQZBZVGP-UHFFFAOYSA-N 0 0 390.405 3.525 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)ccc2NC1=O ZINC000186633898 883679064 /nfs/dbraw/zinc/67/90/64/883679064.db2.gz JVEUTTNQAYIULR-MOPGFXCFSA-N 0 0 380.448 3.706 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCCOc4c(F)cccc43)ccc2NC1=O ZINC000186640854 883679382 /nfs/dbraw/zinc/67/93/82/883679382.db2.gz AMTZMQGKIPTQEM-KRWDZBQOSA-N 0 0 384.411 3.838 10 0 GHAERN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)N1CCC(Nc2nccs2)CC1 ZINC000186790409 883703382 /nfs/dbraw/zinc/70/33/82/883703382.db2.gz PJUBFDOGANOXHY-MSOLQXFVSA-N 0 0 386.521 3.649 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000186822071 883708376 /nfs/dbraw/zinc/70/83/76/883708376.db2.gz VTMWWPFPQZFEIU-CYBMUJFWSA-N 0 0 376.501 3.980 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(C(F)(F)F)nn2)cc1 ZINC000186910983 883716006 /nfs/dbraw/zinc/71/60/06/883716006.db2.gz KXJIWLDCQKZNIN-AWEZNQCLSA-N 0 0 397.422 3.960 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC(Cc4nccn4C)CC3)[nH]n2)c(C)c1 ZINC000187027499 883731830 /nfs/dbraw/zinc/73/18/30/883731830.db2.gz BABJCYNXSQFIKQ-UHFFFAOYSA-N 0 0 377.492 3.522 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000187330279 883770529 /nfs/dbraw/zinc/77/05/29/883770529.db2.gz ZUZBILINIQMBMH-ZBFHGGJFSA-N 0 0 394.541 3.601 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000187239213 883773908 /nfs/dbraw/zinc/77/39/08/883773908.db2.gz YICOQSOKHBFGCT-UHFFFAOYSA-N 0 0 386.536 3.704 10 0 GHAERN COc1ccc(C[C@@H](C)CNC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000187717404 883816499 /nfs/dbraw/zinc/81/64/99/883816499.db2.gz SGHWXSJZGVLDKE-OAHLLOKOSA-N 0 0 388.537 3.616 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1cc(Br)cs1)[C@H]2C ZINC000188740215 883865606 /nfs/dbraw/zinc/86/56/06/883865606.db2.gz ZZCCKFLBBKPLMU-ZWNMCFTASA-N 0 0 395.326 3.842 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1OCC ZINC000188817237 883884930 /nfs/dbraw/zinc/88/49/30/883884930.db2.gz RIICZHQXKHBCFG-PXUDHTSWSA-N 0 0 398.507 3.816 10 0 GHAERN C[C@H]1CN(c2ccnc(C(=O)N3CC=C(c4cccs4)CC3)c2)C[C@H](C)O1 ZINC000189049798 883900354 /nfs/dbraw/zinc/90/03/54/883900354.db2.gz ZATXSLKBUPMZCO-HOTGVXAUSA-N 0 0 383.517 3.686 10 0 GHAERN COCCOc1cccc(/C=C/C(=O)Nc2cccc(-c3nnc(C)o3)c2)c1 ZINC000189067275 883900776 /nfs/dbraw/zinc/90/07/76/883900776.db2.gz RINHXKIZMMTWRD-MDZDMXLPSA-N 0 0 379.416 3.722 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@@]23CCOC3=O)n(-c2ccccc2)nc1C(C)(C)C ZINC000188957641 883905601 /nfs/dbraw/zinc/90/56/01/883905601.db2.gz DENOXVXJQAPVND-QFIPXVFZSA-N 0 0 396.491 3.792 10 0 GHAERN CCOC(=O)c1cc(C)sc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189224591 883914103 /nfs/dbraw/zinc/91/41/03/883914103.db2.gz NKMQZXOSSIIJQK-UHFFFAOYSA-N 0 0 394.522 3.798 10 0 GHAERN O=C(Nc1ccsc1Cl)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000189303842 883935787 /nfs/dbraw/zinc/93/57/87/883935787.db2.gz FMXVMVAUIPVZJV-UHFFFAOYSA-N 0 0 377.853 3.948 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000189363594 883939887 /nfs/dbraw/zinc/93/98/87/883939887.db2.gz YRACTXRNNFKXGQ-MSOLQXFVSA-N 0 0 389.540 3.946 10 0 GHAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189518898 883959648 /nfs/dbraw/zinc/95/96/48/883959648.db2.gz MCLAKFHBTPFWLI-ZDUSSCGKSA-N 0 0 394.443 3.780 10 0 GHAERN NC(=O)c1ccc(F)c(NC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000189570324 883963269 /nfs/dbraw/zinc/96/32/69/883963269.db2.gz PNZZMSTXFRELQA-LBPRGKRZSA-N 0 0 377.366 3.614 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)C[C@H]1C ZINC000189616387 883973410 /nfs/dbraw/zinc/97/34/10/883973410.db2.gz BDGBKFUHRCERBE-MWLCHTKSSA-N 0 0 385.342 3.510 10 0 GHAERN CC(=O)CCc1ccc(OCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189838231 884016485 /nfs/dbraw/zinc/01/64/85/884016485.db2.gz FHBDBUCQWCTLBT-UHFFFAOYSA-N 0 0 393.483 3.682 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000190075783 884035979 /nfs/dbraw/zinc/03/59/79/884035979.db2.gz JDLOKDFDSLHQOZ-ZYHUDNBSSA-N 0 0 377.853 3.848 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2c(C)c(C)oc2-c2ccccc2)C1 ZINC000190015447 884042331 /nfs/dbraw/zinc/04/23/31/884042331.db2.gz ZPIHHMONWMWPSO-IAGOWNOFSA-N 0 0 381.432 3.857 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)cs1 ZINC000190007907 884042374 /nfs/dbraw/zinc/04/23/74/884042374.db2.gz MNYKVLSMMPOWOB-GFCCVEGCSA-N 0 0 382.283 3.600 10 0 GHAERN Cc1cc(F)c2[nH]c(=O)cc(C(=O)N3CCC(Nc4nccs4)CC3)c2c1 ZINC000190377514 884074047 /nfs/dbraw/zinc/07/40/47/884074047.db2.gz ONIPWWYHNCEYBL-UHFFFAOYSA-N 0 0 386.452 3.561 10 0 GHAERN CSc1ncc(C(=O)N2CCC(Nc3nccs3)CC2)n1-c1ccccc1 ZINC000190407206 884078276 /nfs/dbraw/zinc/07/82/76/884078276.db2.gz WDMCJVGDJLZJQC-UHFFFAOYSA-N 0 0 399.545 3.767 10 0 GHAERN COc1cc(Br)ccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190443148 884082024 /nfs/dbraw/zinc/08/20/24/884082024.db2.gz XYVBHCWROSQJFQ-UHFFFAOYSA-N 0 0 396.310 3.631 10 0 GHAERN O=C(c1c(F)cccc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190400152 884087002 /nfs/dbraw/zinc/08/70/02/884087002.db2.gz JGZXVUZRDNVHBR-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000190701604 884114061 /nfs/dbraw/zinc/11/40/61/884114061.db2.gz OVXFMMHZKAYPSU-QGZVFWFLSA-N 0 0 380.488 3.991 10 0 GHAERN CCc1ccc([C@@H]2CN(C(=O)c3cccc(CN4CCCC4=O)c3)CCO2)cc1 ZINC000190913692 884131636 /nfs/dbraw/zinc/13/16/36/884131636.db2.gz MBQKEDWVPNCMPB-QFIPXVFZSA-N 0 0 392.499 3.585 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCc3c(O)cccc32)c2ccc(F)cc2C1 ZINC000191034713 884146959 /nfs/dbraw/zinc/14/69/59/884146959.db2.gz AJPKRHLOFYICBS-RTWAWAEBSA-N 0 0 396.462 3.561 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)n1 ZINC000191134649 884156431 /nfs/dbraw/zinc/15/64/31/884156431.db2.gz NPNUBODALBZQLV-UHFFFAOYSA-N 0 0 396.413 3.694 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@H](c3cccs3)C(C)(C)C)CCO2)cn1 ZINC000191282161 884167118 /nfs/dbraw/zinc/16/71/18/884167118.db2.gz JEUYDTONZZQBGQ-DOTOQJQBSA-N 0 0 376.526 3.835 10 0 GHAERN CCc1nnc(C2CCN(C(=O)C=Cc3ccc(OC(C)C)c(OC)c3)CC2)[nH]1 ZINC000191501350 884188029 /nfs/dbraw/zinc/18/80/29/884188029.db2.gz BHBPTFSCBCBQOB-VQHVLOKHSA-N 0 0 398.507 3.582 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCCC[C@@H]3c3nc(-c4ccccc4)c[nH]3)cnc21 ZINC000191957640 884223135 /nfs/dbraw/zinc/22/31/35/884223135.db2.gz IXDSVHAAWVDAJA-LJQANCHMSA-N 0 0 386.459 3.726 10 0 GHAERN Cn1c(=O)sc2cc(CN[C@@H](c3ncon3)c3ccc(Cl)cc3)ccc21 ZINC000192657582 884276076 /nfs/dbraw/zinc/27/60/76/884276076.db2.gz PPWKGQSXGWVZAW-MRXNPFEDSA-N 0 0 386.864 3.516 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c2ccccc21 ZINC000162695886 884282133 /nfs/dbraw/zinc/28/21/33/884282133.db2.gz SFRPQURJRAIOAJ-MGPUTAFESA-N 0 0 384.501 3.595 10 0 GHAERN O=C(Nc1cccc(Cl)c1F)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192927612 884300884 /nfs/dbraw/zinc/30/08/84/884300884.db2.gz BWWVEXRCMKMXSR-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCSc2c(F)cccc21 ZINC000193250492 884333775 /nfs/dbraw/zinc/33/37/75/884333775.db2.gz CEYBTAOKXRYZPY-GUYCJALGSA-N 0 0 385.464 3.788 10 0 GHAERN O=C(NCc1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102940969 884650744 /nfs/dbraw/zinc/65/07/44/884650744.db2.gz CCORGOWHQJSDFH-LJQANCHMSA-N 0 0 390.443 3.648 10 0 GHAERN C[C@@H](C(=O)N(C)C1CCCCC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692200 884834313 /nfs/dbraw/zinc/83/43/13/884834313.db2.gz REXXEJUTMKUCSP-MQJDWESPSA-N 0 0 392.384 3.939 10 0 GHAERN C[C@@H](c1ccccc1Cl)N1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000105820196 884858813 /nfs/dbraw/zinc/85/88/13/884858813.db2.gz XLBNRPDNDUQUMN-INIZCTEOSA-N 0 0 391.968 3.739 10 0 GHAERN Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2F)nn1-c1ccccc1 ZINC000105972752 884885204 /nfs/dbraw/zinc/88/52/04/884885204.db2.gz VAEKEWPWKFMNKU-UHFFFAOYSA-N 0 0 375.407 3.817 10 0 GHAERN COc1ccc(Cl)cc1CN1CCN(C(=O)CCc2ccc(C)cc2)CC1 ZINC000105893558 884901627 /nfs/dbraw/zinc/90/16/27/884901627.db2.gz GHRVZDOLPAUWNY-UHFFFAOYSA-N 0 0 386.923 3.934 10 0 GHAERN O=C(NCc1ccc2ccccc2c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000105272144 886013568 /nfs/dbraw/zinc/01/35/68/886013568.db2.gz ONHBFHDYTWSHQA-UHFFFAOYSA-N 0 0 385.471 3.972 10 0 GHAERN CN1C(=S)N=NC1C1CCN(C(=O)C=Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000109283922 886113651 /nfs/dbraw/zinc/11/36/51/886113651.db2.gz QWYVISXSUIYHSX-QPJJXVBHSA-N 0 0 396.438 3.542 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(c2nncn2C2CC2)CC1 ZINC000110006027 886168817 /nfs/dbraw/zinc/16/88/17/886168817.db2.gz XTOYXBCVPNYJJW-UHFFFAOYSA-N 0 0 385.518 3.818 10 0 GHAERN Cc1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217172 886286678 /nfs/dbraw/zinc/28/66/78/886286678.db2.gz GUWNSVPWZFPXJH-OAHLLOKOSA-N 0 0 383.883 3.792 10 0 GHAERN Cc1noc2ncc(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cc12 ZINC000113217151 886287276 /nfs/dbraw/zinc/28/72/76/886287276.db2.gz SMUPJIPUMKPTCG-INIZCTEOSA-N 0 0 387.443 3.941 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(N2CCCC2=O)c1 ZINC000114826338 886329215 /nfs/dbraw/zinc/32/92/15/886329215.db2.gz XMVLZKLYNUDHEC-WBVHZDCISA-N 0 0 398.532 3.920 10 0 GHAERN CCOc1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)ccc1OC ZINC000114832321 886329830 /nfs/dbraw/zinc/32/98/30/886329830.db2.gz YGHYTUSHKCTVMZ-HNNXBMFYSA-N 0 0 375.494 3.640 10 0 GHAERN CC(=O)N1CCC(C(=O)Nc2ccc(OC(F)F)cc2)(c2ccccc2)CC1 ZINC000032661839 886335791 /nfs/dbraw/zinc/33/57/91/886335791.db2.gz ZBZGQCDJNWXWAU-UHFFFAOYSA-N 0 0 388.414 3.807 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000117668406 886390152 /nfs/dbraw/zinc/39/01/52/886390152.db2.gz CSUIESRHZBJPQE-KUHUBIRLSA-N 0 0 387.501 3.903 10 0 GHAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118014373 886400186 /nfs/dbraw/zinc/40/01/86/886400186.db2.gz KGCUDJKDBFBBCG-UHFFFAOYSA-N 0 0 385.489 3.780 10 0 GHAERN CCn1cc(C2CCN(C(=O)c3nn(CC(C)C)cc3C(F)F)CC2)cn1 ZINC000119960117 886491360 /nfs/dbraw/zinc/49/13/60/886491360.db2.gz DNRMNIRMZJIEAH-UHFFFAOYSA-N 0 0 379.455 3.713 10 0 GHAERN Cc1cccc2c(CCC(=O)N3CCCN(C(=O)c4cccs4)CC3)c[nH]c21 ZINC000120235754 886509437 /nfs/dbraw/zinc/50/94/37/886509437.db2.gz GMFHTUOJARKXGA-UHFFFAOYSA-N 0 0 395.528 3.845 10 0 GHAERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000332808867 886549222 /nfs/dbraw/zinc/54/92/22/886549222.db2.gz TYUUIQZNQQLOLI-AOIWGVFYSA-N 0 0 398.425 3.794 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CC[C@H](Cc3ccccc3)C2)c2ccccc2F)no1 ZINC000124489017 886755461 /nfs/dbraw/zinc/75/54/61/886755461.db2.gz AGJQKLKSSMFBCZ-YLJYHZDGSA-N 0 0 394.450 3.881 10 0 GHAERN C[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000042929321 886822810 /nfs/dbraw/zinc/82/28/10/886822810.db2.gz YOVNZNCKUKXSAD-MJGOQNOKSA-N 0 0 377.492 3.640 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cc(F)c(F)cc1Cl ZINC000043046164 886828070 /nfs/dbraw/zinc/82/80/70/886828070.db2.gz MGLCDARNLMDODG-UHFFFAOYSA-N 0 0 384.854 3.919 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000044522261 886975589 /nfs/dbraw/zinc/97/55/89/886975589.db2.gz GKYUEPTYVNYAPR-UFUQCMIWSA-N 0 0 398.547 3.984 10 0 GHAERN C[C@H](NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000126825230 887008353 /nfs/dbraw/zinc/00/83/53/887008353.db2.gz QOVDUIWFXQYYSX-GJULWVSJSA-N 0 0 398.478 3.845 10 0 GHAERN Cc1cccc(OCCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C ZINC000045338668 887049096 /nfs/dbraw/zinc/04/90/96/887049096.db2.gz YIQLIUOJFIHZJC-UHFFFAOYSA-N 0 0 386.536 3.714 10 0 GHAERN COc1ccc(OC(F)F)c(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000127430156 887062951 /nfs/dbraw/zinc/06/29/51/887062951.db2.gz DIFHDXQODVPKBK-GFCCVEGCSA-N 0 0 397.447 3.842 10 0 GHAERN CN(Cc1ccccc1C(F)(F)F)C(=O)CCc1nc(-c2cccnc2)no1 ZINC000046436475 887197166 /nfs/dbraw/zinc/19/71/66/887197166.db2.gz WERSJLYTYQMRJK-UHFFFAOYSA-N 0 0 390.365 3.742 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000046922505 887248565 /nfs/dbraw/zinc/24/85/65/887248565.db2.gz OBFGYTLZERUYMR-UHFFFAOYSA-N 0 0 382.407 3.755 10 0 GHAERN Cc1ccc(Br)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000129044385 887253788 /nfs/dbraw/zinc/25/37/88/887253788.db2.gz QVHOPUWWXZJAQK-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN CCn1nccc1C=CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000129119698 887262422 /nfs/dbraw/zinc/26/24/22/887262422.db2.gz YTOAVIDLGFZWKR-ZGKFYVQTSA-N 0 0 375.476 3.713 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(N2CCCC2)c1 ZINC000129450633 887301782 /nfs/dbraw/zinc/30/17/82/887301782.db2.gz JXZXSJCUWOMNLL-GOSISDBHSA-N 0 0 395.551 3.746 10 0 GHAERN Cc1cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c(Cl)cc1F ZINC000130220226 887405858 /nfs/dbraw/zinc/40/58/58/887405858.db2.gz KHYBYARMYIDHCZ-UHFFFAOYSA-N 0 0 380.872 3.837 10 0 GHAERN O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCN(c2cccs2)CC1 ZINC000130755438 887468855 /nfs/dbraw/zinc/46/88/55/887468855.db2.gz BWVIVTHIRXIIIC-UHFFFAOYSA-N 0 0 384.505 3.887 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)NCc3csc(-c4ccco4)n3)CC2)nc1 ZINC000133881596 887811986 /nfs/dbraw/zinc/81/19/86/887811986.db2.gz FTYMQPKEGXRUPA-UHFFFAOYSA-N 0 0 397.504 3.575 10 0 GHAERN C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)o1 ZINC000133937497 887817273 /nfs/dbraw/zinc/81/72/73/887817273.db2.gz FQGBKSIOQRSYAQ-CXKYAALTSA-N 0 0 384.520 3.913 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@H]([C@@H](O)c4nccn4C)C3)c(C)c2c1 ZINC000134345302 887862118 /nfs/dbraw/zinc/86/21/18/887862118.db2.gz GXDCTMISHCFXQM-KBXCAEBGSA-N 0 0 399.516 3.538 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000134347554 887862822 /nfs/dbraw/zinc/86/28/22/887862822.db2.gz YJKWDGILOVVAHQ-KXBFYZLASA-N 0 0 399.491 3.874 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134373817 887865759 /nfs/dbraw/zinc/86/57/59/887865759.db2.gz VWAKBRVHIPOGEY-BBRMVZONSA-N 0 0 387.867 3.714 10 0 GHAERN O=C(NC1CCC(O)CC1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000052978976 887903774 /nfs/dbraw/zinc/90/37/74/887903774.db2.gz FDHLXYCQQSPEAF-UHFFFAOYSA-N 0 0 377.872 3.674 10 0 GHAERN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000135242293 888225498 /nfs/dbraw/zinc/22/54/98/888225498.db2.gz ABHPBTMFXUYLJO-UZLBHIALSA-N 0 0 380.463 3.966 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000053591139 888236025 /nfs/dbraw/zinc/23/60/25/888236025.db2.gz RJXNNQAPMPRVSZ-SFHVURJKSA-N 0 0 398.532 3.955 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1csc(-c2ccsc2)n1 ZINC000054727930 888285884 /nfs/dbraw/zinc/28/58/84/888285884.db2.gz PGYKBRJPKFWVTP-ZDUSSCGKSA-N 0 0 390.511 3.520 10 0 GHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000056395598 888359030 /nfs/dbraw/zinc/35/90/30/888359030.db2.gz JJCASDIWAJFODJ-ZVDOUQERSA-N 0 0 390.487 3.603 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2ccc(Oc3cccnc3)cc2)c2ccccc2)[nH]1 ZINC000057799263 888415777 /nfs/dbraw/zinc/41/57/77/888415777.db2.gz NCTMNWUHZGLZRL-FQEVSTJZSA-N 0 0 385.427 3.820 10 0 GHAERN Cn1c2cc(NC(=O)[C@@H](c3ccccc3)N3CCc4ccccc43)ccc2oc1=O ZINC000105371811 888421443 /nfs/dbraw/zinc/42/14/43/888421443.db2.gz JSWDYJSRCFCFPE-JOCHJYFZSA-N 0 0 399.450 3.874 10 0 GHAERN Cc1cccc(C)c1OC1CCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000058427273 888436724 /nfs/dbraw/zinc/43/67/24/888436724.db2.gz OJVGMENQGAEZNK-UHFFFAOYSA-N 0 0 376.460 3.568 10 0 GHAERN CCn1cc(C2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)CC2)cn1 ZINC000151919859 888443274 /nfs/dbraw/zinc/44/32/74/888443274.db2.gz QUVNGJTUYLKMEE-UHFFFAOYSA-N 0 0 395.507 3.551 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccoc3Br)C2)c1 ZINC000193681412 888516520 /nfs/dbraw/zinc/51/65/20/888516520.db2.gz BLLBPHYNHAOVKG-NSHDSACASA-N 0 0 380.238 3.689 10 0 GHAERN CCC[C@]1(COC)CCCN1C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000194114470 888558223 /nfs/dbraw/zinc/55/82/23/888558223.db2.gz BOZGOSRKLSTFKL-YLJYHZDGSA-N 0 0 390.459 3.597 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC(n4cncn4)CC3)sc2C1 ZINC000194570051 888595227 /nfs/dbraw/zinc/59/52/27/888595227.db2.gz PAGJPMUIQAGGLG-CYBMUJFWSA-N 0 0 388.541 3.755 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](c3cccs3)c3ncc[nH]3)cc2)CCC(=O)NC1=O ZINC000195105444 888645616 /nfs/dbraw/zinc/64/56/16/888645616.db2.gz GHEKENNIGMXNDI-WIYYLYMNSA-N 0 0 394.500 3.757 10 0 GHAERN Cc1ccc(-c2nc(CN3CCC[C@@H]([C@@H](O)c4nccn4C)C3)cs2)cc1 ZINC000245685303 889223637 /nfs/dbraw/zinc/22/36/37/889223637.db2.gz MOKVQXPDEYMPDA-IEBWSBKVSA-N 0 0 382.533 3.798 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C(C)(C)c1ccccc1 ZINC000245687796 889227409 /nfs/dbraw/zinc/22/74/09/889227409.db2.gz NVTOPCDGTOKRSX-YSIASYRMSA-N 0 0 398.551 3.632 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245706975 889345332 /nfs/dbraw/zinc/34/53/32/889345332.db2.gz XYENUMRYVVSHPT-QFBILLFUSA-N 0 0 399.926 3.513 10 0 GHAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)NC1=O ZINC000245946712 890057205 /nfs/dbraw/zinc/05/72/05/890057205.db2.gz AEVVJPOAQMITTO-HDMKZQKVSA-N 0 0 398.459 3.508 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000246195177 890651964 /nfs/dbraw/zinc/65/19/64/890651964.db2.gz MUMCEYHDGHXTAY-QLFBSQMISA-N 0 0 379.526 3.543 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(C(F)(F)F)c1 ZINC000246236305 890796106 /nfs/dbraw/zinc/79/61/06/890796106.db2.gz WZTUTWXHHMDQMF-DAXOMENPSA-N 0 0 397.397 3.743 10 0 GHAERN Cn1c(C2CCN(C(=O)C=Cc3cccc(C(F)(F)F)c3)CC2)n[nH]c1=S ZINC000068427183 891178273 /nfs/dbraw/zinc/17/82/73/891178273.db2.gz DHRJAIAIYUDJTO-AATRIKPKSA-N 0 0 396.438 3.916 10 0 GHAERN O=C(NCc1cccc2cccnc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000068841784 891189222 /nfs/dbraw/zinc/18/92/22/891189222.db2.gz VUMQOWQADFUROW-UHFFFAOYSA-N 0 0 394.519 3.559 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000069293896 891198304 /nfs/dbraw/zinc/19/83/04/891198304.db2.gz AJDSPMZQAJTVFV-QGZVFWFLSA-N 0 0 398.854 3.636 10 0 GHAERN CC1(C)[C@H](NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)[C@@H]2CCO[C@H]21 ZINC000246898545 891321830 /nfs/dbraw/zinc/32/18/30/891321830.db2.gz LYNRELNNXZJOPL-WJFTUGDTSA-N 0 0 392.927 3.609 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000246906569 891323676 /nfs/dbraw/zinc/32/36/76/891323676.db2.gz HGXWIRYCSAIENX-PGRDOPGGSA-N 0 0 390.531 3.912 10 0 GHAERN Brc1ccc(-c2c[nH]c(CN3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000247303778 891364849 /nfs/dbraw/zinc/36/48/49/891364849.db2.gz ZVIZSSJWKQDCRX-CVEARBPZSA-N 0 0 394.338 3.546 10 0 GHAERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000247513528 891382164 /nfs/dbraw/zinc/38/21/64/891382164.db2.gz ZBFCVAWCCOQXTJ-BVGQSLNGSA-N 0 0 396.882 3.512 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccnc(N2CCCC2)c1 ZINC000247766828 891395055 /nfs/dbraw/zinc/39/50/55/891395055.db2.gz LKPIWPIAWUOWLV-UHFFFAOYSA-N 0 0 394.450 3.725 10 0 GHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000248637711 891450506 /nfs/dbraw/zinc/45/05/06/891450506.db2.gz LAYOXMZGRYRRNU-CZAAIQMYSA-N 0 0 390.499 3.721 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)o1 ZINC000248663962 891454489 /nfs/dbraw/zinc/45/44/89/891454489.db2.gz KKCWZKASXAWKDE-DZKIICNBSA-N 0 0 380.485 3.639 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)C1 ZINC000248947660 891483623 /nfs/dbraw/zinc/48/36/23/891483623.db2.gz JJXZCSYGIRAGOL-OLMNPRSZSA-N 0 0 387.480 3.566 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249171400 891500116 /nfs/dbraw/zinc/50/01/16/891500116.db2.gz LGJPBHFVPAUORE-BMGDILEWSA-N 0 0 388.851 3.791 10 0 GHAERN O=C(CCSCc1ccccn1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101531829 897942407 /nfs/dbraw/zinc/94/24/07/897942407.db2.gz HOVOAHAIWQHXCL-UHFFFAOYSA-N 0 0 385.464 3.858 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)CSc3nc4ccccc4o3)C2)c1 ZINC000102382851 898007027 /nfs/dbraw/zinc/00/70/27/898007027.db2.gz CKBYNSULKDBICM-HNNXBMFYSA-N 0 0 397.500 3.571 10 0 GHAERN C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000102904448 898047552 /nfs/dbraw/zinc/04/75/52/898047552.db2.gz ZJQXYNICYVEZQV-MGPUTAFESA-N 0 0 399.466 3.959 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000104266531 898134641 /nfs/dbraw/zinc/13/46/41/898134641.db2.gz FPHLFZAVPGNUBH-KDOFPFPSSA-N 0 0 389.459 3.812 10 0 GHAERN Cc1ccccc1C(=O)NC1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000105045958 898182503 /nfs/dbraw/zinc/18/25/03/898182503.db2.gz PYZVNHUDIKESRG-UHFFFAOYSA-N 0 0 391.393 3.839 10 0 GHAERN O=C(N[C@@H]1CCSc2c(F)cccc21)N1CCO[C@H](c2nccs2)C1 ZINC000111823613 898833302 /nfs/dbraw/zinc/83/33/02/898833302.db2.gz DTPCQFJNCZFEMV-KGLIPLIRSA-N 0 0 379.482 3.602 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333140780 899993577 /nfs/dbraw/zinc/99/35/77/899993577.db2.gz JIPZKOSKIJKALG-GUXCAODWSA-N 0 0 387.549 3.754 10 0 GHAERN O=C(CN1CCCC[C@@H]1c1nc[nH]n1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000121839123 901684719 /nfs/dbraw/zinc/68/47/19/901684719.db2.gz AIWSABCFQUDMKJ-GFCCVEGCSA-N 0 0 388.686 3.931 10 0 GHAERN CCC[C@@H]1CCc2nc(NC(=O)[C@H]3CCO[C@@H]3c3cnn(CC)c3)sc2C1 ZINC000333253610 901943064 /nfs/dbraw/zinc/94/30/64/901943064.db2.gz KWKASSOCZSFTCP-QIIPPGSGSA-N 0 0 388.537 3.981 10 0 GHAERN C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c2)C1 ZINC000333259317 901948437 /nfs/dbraw/zinc/94/84/37/901948437.db2.gz FLFYFVSAZKBRSK-XWPNQZOQSA-N 0 0 385.508 3.524 10 0 GHAERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333847503 902369195 /nfs/dbraw/zinc/36/91/95/902369195.db2.gz WNDYSQTXECHUOH-ZWOKBUDYSA-N 0 0 380.492 3.511 10 0 GHAERN Cc1cc(CCC(=O)N2CCCC[C@H]2c2nc[nH]n2)ccc1Br ZINC000179359536 906481720 /nfs/dbraw/zinc/48/17/20/906481720.db2.gz VGOPSUPVPIQSHO-HNNXBMFYSA-N 0 0 377.286 3.562 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(OCC(F)(F)F)c1 ZINC000183075393 907322561 /nfs/dbraw/zinc/32/25/61/907322561.db2.gz FELCZKVORQVBEV-ZDUSSCGKSA-N 0 0 383.374 3.813 10 0 GHAERN CCOc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183075921 907323553 /nfs/dbraw/zinc/32/35/53/907323553.db2.gz SPWGVFQIWXIJHN-AWEZNQCLSA-N 0 0 383.374 3.981 10 0 GHAERN Cc1c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnn1-c1cc(C)ccc1C ZINC000183320140 907368641 /nfs/dbraw/zinc/36/86/41/907368641.db2.gz JIBSYBNACRKAIZ-QGZVFWFLSA-N 0 0 379.468 3.675 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)nn1-c1ccccc1Cl ZINC000184080652 907511810 /nfs/dbraw/zinc/51/18/10/907511810.db2.gz QYDYZARLVXZFIJ-OAHLLOKOSA-N 0 0 385.859 3.711 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(Cn3cccn3)c2)cs1 ZINC000186371249 907915375 /nfs/dbraw/zinc/91/53/75/907915375.db2.gz LMDIQFGXQGAKRW-IBGZPJMESA-N 0 0 381.505 3.743 10 0 GHAERN COCc1nnc(-c2cccc(C(=O)N3CCC[C@H]3c3csc(C)n3)c2)o1 ZINC000187010323 908019262 /nfs/dbraw/zinc/01/92/62/908019262.db2.gz UQWJAAPOXHCKSL-INIZCTEOSA-N 0 0 384.461 3.625 10 0 GHAERN CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1Cl ZINC000188670694 908238207 /nfs/dbraw/zinc/23/82/07/908238207.db2.gz ANAZWFYTYPPWKT-HNNXBMFYSA-N 0 0 378.885 3.834 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000189082201 908280479 /nfs/dbraw/zinc/28/04/79/908280479.db2.gz VAGVQGFGZVTCFU-DZGCQCFKSA-N 0 0 391.880 3.777 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000189125402 908286499 /nfs/dbraw/zinc/28/64/99/908286499.db2.gz SOMBANGESPYGPU-DOTOQJQBSA-N 0 0 389.521 3.756 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3cnn(C(C)C)c3c2)cs1 ZINC000189434423 908322327 /nfs/dbraw/zinc/32/23/27/908322327.db2.gz YNEDYGHFGADOIL-KRWDZBQOSA-N 0 0 397.504 3.684 10 0 GHAERN CCOc1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1Br ZINC000189483584 908330558 /nfs/dbraw/zinc/33/05/58/908330558.db2.gz WWDJSMFSRBXMID-ZDUSSCGKSA-N 0 0 394.273 3.725 10 0 GHAERN Cc1nc([C@@H]2CCCN2Cc2nnnn2-c2ccc(C(F)(F)F)cc2)cs1 ZINC000189771322 908374808 /nfs/dbraw/zinc/37/48/08/908374808.db2.gz XGUQKAGYAUXAEE-HNNXBMFYSA-N 0 0 394.426 3.783 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000190056552 908414617 /nfs/dbraw/zinc/41/46/17/908414617.db2.gz JQAIGYVVKZFAQQ-HIFRSBDPSA-N 0 0 384.263 3.606 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000190128050 908432552 /nfs/dbraw/zinc/43/25/52/908432552.db2.gz RZESFWNMQCTBJZ-AAEUAGOBSA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000190133160 908435458 /nfs/dbraw/zinc/43/54/58/908435458.db2.gz SHBVPSQDHAFQEP-CABCVRRESA-N 0 0 398.385 3.867 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2csc(C)c2)C1 ZINC000190141134 908437010 /nfs/dbraw/zinc/43/70/10/908437010.db2.gz OXCIQECUNDIKSM-ZBFHGGJFSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCc4cc(Cl)ccc43)CCO2)n1 ZINC000194085141 908914082 /nfs/dbraw/zinc/91/40/82/908914082.db2.gz YRIYNBZRTZXFLU-JKSUJKDBSA-N 0 0 377.897 3.875 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)Nc2cc3ccccc3cc2C(=O)OC)c1 ZINC000103760915 908974327 /nfs/dbraw/zinc/97/43/27/908974327.db2.gz AOGWUZDSHPXAML-UHFFFAOYSA-N 0 0 390.439 3.971 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)[C@@H]1CCCc3c(O)cccc31)CCCC2 ZINC000284653998 911969157 /nfs/dbraw/zinc/96/91/57/911969157.db2.gz PQOIUZOGACWFIU-XLIONFOSSA-N 0 0 379.504 3.788 10 0 GHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000363072159 917725905 /nfs/dbraw/zinc/72/59/05/917725905.db2.gz FCMFRSMZKJIIKC-UHFFFAOYSA-N 0 0 380.435 3.543 10 0 GHAERN CN(C)C(=O)c1cc(N[C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)ccc1F ZINC000367368393 922066494 /nfs/dbraw/zinc/06/64/94/922066494.db2.gz SUKHAEIZYLQJJC-SFTDATJTSA-N 0 0 395.478 3.618 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCC([C@H]4CCCOC4)CC3)o2)o1 ZINC000367980418 922407855 /nfs/dbraw/zinc/40/78/55/922407855.db2.gz DYLJBOPVMHPOEN-ZDUSSCGKSA-N 0 0 396.285 3.731 10 0 GHAERN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000369161867 923168145 /nfs/dbraw/zinc/16/81/45/923168145.db2.gz QVTWSIJPZIZMLC-UHFFFAOYSA-N 0 0 379.420 3.916 10 0 GHAERN O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCC12CCC(CO)CC2 ZINC000371477971 924603266 /nfs/dbraw/zinc/60/32/66/924603266.db2.gz RIDFUVWDUHTJMV-UHFFFAOYSA-N 0 0 393.409 3.658 10 0 GHAERN Cc1[nH]c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1C(=O)[O-] ZINC000700218180 976937328 /nfs/dbraw/zinc/93/73/28/976937328.db2.gz KBFPVWHGAYHQSD-CQSZACIVSA-N 0 0 379.501 3.537 10 0 GHAERN O=C(Nc1ccccc1N1CCCCC1)N1CCCN(c2ccccn2)CC1 ZINC000184027741 1014571528 /nfs/dbraw/zinc/57/15/28/1014571528.db2.gz HXDIDYKKPDLGBO-UHFFFAOYSA-N 0 0 379.508 3.816 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)C2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000185250918 1014577223 /nfs/dbraw/zinc/57/72/23/1014577223.db2.gz LKHRHQMETZZOOU-FPMRRHDISA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc3cccnc32)c2ccc(F)cc2C1 ZINC000185531452 1014585406 /nfs/dbraw/zinc/58/54/06/1014585406.db2.gz XKFXRWNDYXRUJV-HXUWFJFHSA-N 0 0 395.409 3.736 10 0 GHAERN COCCOCc1cc(C(=O)N2CCC[C@H]2c2csc(C)n2)ccc1F ZINC000187006543 1014588448 /nfs/dbraw/zinc/58/84/48/1014588448.db2.gz DPVGKCQFHYCZBH-SFHVURJKSA-N 0 0 378.469 3.731 10 0 GHAERN Cn1cc(CN2CCc3c(cc(-c4csc5ccccc54)c(=O)n3C)C2)cn1 ZINC000019300010 210240168 /nfs/dbraw/zinc/24/01/68/210240168.db2.gz CKRDARKVDFBRGJ-UHFFFAOYSA-N 0 0 390.512 3.559 10 0 GHAERN COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(F)ccc4F)N4CCC[C@@]34C2=O)cc1 ZINC000014976450 210139317 /nfs/dbraw/zinc/13/93/17/210139317.db2.gz NEUYGTBQYVHBNC-YROCYRMSSA-N 0 0 398.453 3.911 10 0 GHAERN O=C1CCCCN1c1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000012198761 209919844 /nfs/dbraw/zinc/91/98/44/209919844.db2.gz NHMIWEQETMAEKO-HXUWFJFHSA-N 0 0 384.501 3.559 10 0 GHAERN c1ccc(CNc2nc(NCc3ccccc3)nc(OC[C@@H]3CCCO3)n2)cc1 ZINC000005518341 209599903 /nfs/dbraw/zinc/59/99/03/209599903.db2.gz LBFIXCPMTNTZGT-IBGZPJMESA-N 0 0 391.475 3.654 10 0 GHAERN CCCCCOc1ccc(C=C2NC(=S)N(c3cn(C)nc3C)C2=O)cc1 ZINC000002805258 209388581 /nfs/dbraw/zinc/38/85/81/209388581.db2.gz FOPALLYJEXJJEB-ATVHPVEESA-N 0 0 384.505 3.971 10 0 GHAERN O=C(c1nn2c(nc(=O)c3ccccc32)s1)c1ccc(Cl)c(Cl)c1 ZINC000001042587 209292793 /nfs/dbraw/zinc/29/27/93/209292793.db2.gz OIZUTMBMPDDYGV-UHFFFAOYSA-N 0 0 376.224 3.842 10 0 GHAERN CCC(=S)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000000852450 209273476 /nfs/dbraw/zinc/27/34/76/209273476.db2.gz LQWIPYYVKUGMED-SFHVURJKSA-N 0 0 384.476 3.740 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccc(Br)cc1 ZINC000056825149 209214221 /nfs/dbraw/zinc/21/42/21/209214221.db2.gz AEPRYJSFARPENM-IUODEOHRSA-N 0 0 391.265 3.524 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccc(Br)cc1 ZINC000056825147 209212319 /nfs/dbraw/zinc/21/23/19/209212319.db2.gz AEPRYJSFARPENM-DOMZBBRYSA-N 0 0 391.265 3.524 10 0 GHAERN CCn1cc([C@@H]2NC(=O)CC[C@H]2Nc2nccc(OCc3ccccc3)n2)cn1 ZINC000328629645 209150948 /nfs/dbraw/zinc/15/09/48/209150948.db2.gz PBKDRKWNCGIPMU-XLIONFOSSA-N 0 0 392.463 3.544 10 0 GHAERN CC(C)c1noc([C@H](Nc2ncc(C(N)=O)cc2Cl)C2CCOCC2)n1 ZINC000328609254 209146661 /nfs/dbraw/zinc/14/66/61/209146661.db2.gz CPWNIJCLVOWKKB-CYBMUJFWSA-N 0 0 379.848 3.705 10 0 GHAERN Cc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1CC(=O)Nc1ccc(C)cc1 ZINC000067323555 209138900 /nfs/dbraw/zinc/13/89/00/209138900.db2.gz YJSQWAIBTOESGE-UHFFFAOYSA-N 0 0 391.475 3.711 10 0 GHAERN CC1CCN(C(=O)c2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2=O)CC1 ZINC000096372472 211336171 /nfs/dbraw/zinc/33/61/71/211336171.db2.gz MXZXWYOJQLVAJJ-UHFFFAOYSA-N 0 0 394.519 3.697 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@@](=O)c1nc2ccccc2nc1Cl ZINC000095086029 211218763 /nfs/dbraw/zinc/21/87/63/211218763.db2.gz HPNQKURYBKTCOH-RYZVSIALSA-N 0 0 395.912 3.790 10 0 GHAERN CN1CC[C@@]2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)[C@@H]12 ZINC000056897587 211217018 /nfs/dbraw/zinc/21/70/18/211217018.db2.gz IIFRKALDATVOJE-GGAORHGYSA-N 0 0 377.488 3.613 10 0 investigational GHAERN COCCn1c(SCc2ccc(C(=O)NCC(C)C)cc2)nnc1C(C)C ZINC000085413317 211175184 /nfs/dbraw/zinc/17/51/84/211175184.db2.gz REATXANVZQYBRC-UHFFFAOYSA-N 0 0 390.553 3.726 10 0 GHAERN CCc1cc(=O)n(CC(=O)NCc2ccc(F)cc2)c(-c2cccc(Cl)c2)n1 ZINC000057527703 210902472 /nfs/dbraw/zinc/90/24/72/210902472.db2.gz XZNBZLNPEOHGHS-UHFFFAOYSA-N 0 0 399.853 3.582 10 0 GHAERN CCNC(=O)Nc1ccc(N2CCCN(Cc3ccccc3OC)C2=O)cc1 ZINC000034737086 210663039 /nfs/dbraw/zinc/66/30/39/210663039.db2.gz JBLFRJMYKRHLBO-UHFFFAOYSA-N 0 0 382.464 3.669 10 0 GHAERN O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2coc3ccccc3c2=O)C1 ZINC000020918177 210369644 /nfs/dbraw/zinc/36/96/44/210369644.db2.gz UFETVPWSFOYDJN-INIZCTEOSA-N 0 0 391.423 3.617 10 0 GHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087518 534889900 /nfs/dbraw/zinc/88/99/00/534889900.db2.gz UVRYHDJYBOHTFZ-HNNXBMFYSA-N 0 0 397.523 3.945 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000095091789 535571750 /nfs/dbraw/zinc/57/17/50/535571750.db2.gz PIESZXNGBYUILI-HNNXBMFYSA-N 0 0 386.496 3.770 10 0 GHAERN COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C)CC2 ZINC000014645569 560223550 /nfs/dbraw/zinc/22/35/50/560223550.db2.gz SXGHNTVPXYHQSN-AWEZNQCLSA-N 0 0 385.460 3.569 10 0 in-vitro GHAERN COc1cccc([C@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@H]2C(=O)NC(C)C)c1 ZINC000036045952 570519238 /nfs/dbraw/zinc/51/92/38/570519238.db2.gz CEGNPDJRUMSFHY-NHCUHLMSSA-N 0 0 395.503 3.776 10 0 GHAERN CC(C)c1noc([C@@H](Nc2cnc3cc(F)c(F)cc3n2)C2CCOCC2)n1 ZINC000275509524 570695013 /nfs/dbraw/zinc/69/50/13/570695013.db2.gz XEHZBOZCTNCYCB-KRWDZBQOSA-N 0 0 389.406 3.994 10 0 GHAERN CC[C@H](C)NC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000169793549 570701762 /nfs/dbraw/zinc/70/17/62/570701762.db2.gz BVRKMJKFGFKCKD-WMQCIHAUSA-N 0 0 394.515 3.856 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@H]1COc2ccccc21 ZINC000189674328 570772633 /nfs/dbraw/zinc/77/26/33/570772633.db2.gz CIOCVPPSYRNIDF-FUHWJXTLSA-N 0 0 378.472 3.829 10 0 GHAERN O=C(COc1ccccc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168610 570842677 /nfs/dbraw/zinc/84/26/77/570842677.db2.gz CFFDQBCQZPCTGB-UHFFFAOYSA-N 0 0 379.847 3.761 10 0 GHAERN COCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000037601039 571036691 /nfs/dbraw/zinc/03/66/91/571036691.db2.gz YJRQYFAGIRTONL-UHFFFAOYSA-N 0 0 394.515 3.715 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000105094717 837517030 /nfs/dbraw/zinc/51/70/30/837517030.db2.gz XWCRCCVBSTUXAK-AEFFLSMTSA-N 0 0 397.479 3.878 10 0 GHAERN O=C(c1cscc1Br)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000287507506 837571129 /nfs/dbraw/zinc/57/11/29/837571129.db2.gz OAJGTRXMQAGHBN-CYBMUJFWSA-N 0 0 395.326 3.806 10 0 GHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000286204424 834344033 /nfs/dbraw/zinc/34/40/33/834344033.db2.gz JJAYGVCGFCXEMC-VAMGGRTRSA-N 0 0 379.456 3.896 10 0 GHAERN Cc1csc(C2CCN([C@@H](C)C(=O)N[C@@H]3CCOc4ccccc43)CC2)n1 ZINC000156679618 834499424 /nfs/dbraw/zinc/49/94/24/834499424.db2.gz HOAYTYGQNBRRKD-MAUKXSAKSA-N 0 0 385.533 3.659 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1nc(C2CCCCC2)no1 ZINC000246848847 834524600 /nfs/dbraw/zinc/52/46/00/834524600.db2.gz KSNSWJFXZVDQEE-UVFQYZLESA-N 0 0 376.501 3.515 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c2ccccc2O1 ZINC000152729979 834529889 /nfs/dbraw/zinc/52/98/89/834529889.db2.gz RFODDQWXIUXYBR-UYAOXDASSA-N 0 0 382.460 3.778 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(Oc3ccncc3)c(C)c2)c1 ZINC000588602243 834570814 /nfs/dbraw/zinc/57/08/14/834570814.db2.gz RGZOOZOTCKFMJJ-UTCJRWHESA-N 0 0 388.427 3.589 10 0 GHAERN Cc1ccccc1-n1cnnc1S(=O)(=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000156874897 834614507 /nfs/dbraw/zinc/61/45/07/834614507.db2.gz JBAOFQFBYWIQIX-HNNXBMFYSA-N 0 0 394.456 3.766 10 0 GHAERN Cc1sc2nc(CN3CCC[C@@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182335 834628454 /nfs/dbraw/zinc/62/84/54/834628454.db2.gz AMZCJHCHIJUNFZ-SJORKVTESA-N 0 0 383.517 3.690 10 0 GHAERN O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000003044811 834725358 /nfs/dbraw/zinc/72/53/58/834725358.db2.gz SZNSUHCLFMXMLT-KRWDZBQOSA-N 0 0 397.434 3.867 10 0 GHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066984317 834732210 /nfs/dbraw/zinc/73/22/10/834732210.db2.gz SJHSQRIZIRMYBU-CVEARBPZSA-N 0 0 389.462 3.542 10 0 GHAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157143385 834770658 /nfs/dbraw/zinc/77/06/58/834770658.db2.gz HLUVCFBWMUGUBH-UHFFFAOYSA-N 0 0 395.507 3.564 10 0 GHAERN Cc1cc(C)n(-c2cccc(NC(=O)N3CCC(Cc4nccn4C)CC3)c2)n1 ZINC000157207578 834802096 /nfs/dbraw/zinc/80/20/96/834802096.db2.gz SNKONTAJLIWNBR-UHFFFAOYSA-N 0 0 392.507 3.709 10 0 GHAERN C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(Cl)c1 ZINC000329327865 834853910 /nfs/dbraw/zinc/85/39/10/834853910.db2.gz XMEFGDGBAZGVMR-KBXCAEBGSA-N 0 0 398.956 3.502 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc4nc(C(C)C)sc4c3)CCO2)c1 ZINC000112126230 835051212 /nfs/dbraw/zinc/05/12/12/835051212.db2.gz YCPZJKVSXFNHBN-MRXNPFEDSA-N 0 0 399.520 3.858 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N(C)[C@H]3c3ccccc3)C2)n1 ZINC000246934974 835138529 /nfs/dbraw/zinc/13/85/29/835138529.db2.gz MZNVACGOVZHLHI-GGPKGHCWSA-N 0 0 397.544 3.767 10 0 GHAERN CCCN(CC1CC1)S(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000329630706 835468415 /nfs/dbraw/zinc/46/84/15/835468415.db2.gz RALPNLYCHUQVOU-MRXNPFEDSA-N 0 0 385.599 3.813 10 0 GHAERN CC(=O)N1CCC(CCC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)CC1 ZINC000329632601 835477200 /nfs/dbraw/zinc/47/72/00/835477200.db2.gz RXZQNEAXANKPNF-SFHVURJKSA-N 0 0 377.554 3.505 10 0 GHAERN O=C(CCSc1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000158643362 835478457 /nfs/dbraw/zinc/47/84/57/835478457.db2.gz GOPCJKZRJILTSM-CQSZACIVSA-N 0 0 390.530 3.803 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)C2)sc1C ZINC000329663259 835561457 /nfs/dbraw/zinc/56/14/57/835561457.db2.gz PDESIGMZCZNTSS-RTBURBONSA-N 0 0 397.544 3.515 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)CSc3nncn3C(C)C)C2)n1 ZINC000329681595 835670599 /nfs/dbraw/zinc/67/05/99/835670599.db2.gz WYYDVSANKHZFAB-CQSZACIVSA-N 0 0 393.582 3.937 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2OCC(F)F)CC1 ZINC000159119210 835731302 /nfs/dbraw/zinc/73/13/02/835731302.db2.gz SOQXFBCHMAXJJX-UHFFFAOYSA-N 0 0 378.423 3.551 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CCO2)o1 ZINC000159223402 835775714 /nfs/dbraw/zinc/77/57/14/835775714.db2.gz PPFDLEWBQMEQKV-MGPUTAFESA-N 0 0 397.475 3.781 10 0 GHAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@H]1CC(C)(C)Oc3ccccc31)C(=O)C2 ZINC000246020863 835892349 /nfs/dbraw/zinc/89/23/49/835892349.db2.gz NNUFMTFTJHSWJO-HTZUNMPGSA-N 0 0 391.533 3.604 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000246166388 835971576 /nfs/dbraw/zinc/97/15/76/835971576.db2.gz BRHSHHWGXPZFRS-RDBSUJKOSA-N 0 0 393.318 3.943 10 0 GHAERN O=C(Cc1cccc(OC(F)F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000329932443 836106216 /nfs/dbraw/zinc/10/62/16/836106216.db2.gz AZZLXUDHBNVDKQ-MRXNPFEDSA-N 0 0 390.434 3.512 10 0 GHAERN CC(C)(CNC(=O)N[C@@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000069751296 836411197 /nfs/dbraw/zinc/41/11/97/836411197.db2.gz IDMRPDMLBUQHPW-QGZVFWFLSA-N 0 0 382.460 3.558 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000332721515 836482729 /nfs/dbraw/zinc/48/27/29/836482729.db2.gz MAGMBAUVOBJCMI-ICSRJNTNSA-N 0 0 375.472 3.549 10 0 GHAERN Cc1c(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1Cc1ccccc1F ZINC000333191242 844172663 /nfs/dbraw/zinc/17/26/63/844172663.db2.gz OHNCORLRAYDVNL-IOFRSVQKSA-N 0 0 383.471 3.674 10 0 GHAERN Cc1nnc([C@@H]2COCCN2C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000275523388 837169019 /nfs/dbraw/zinc/16/90/19/837169019.db2.gz YFMHAFCGXCYSNU-CABCVRRESA-N 0 0 389.521 3.804 10 0 GHAERN Cc1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000275523393 837169661 /nfs/dbraw/zinc/16/96/61/837169661.db2.gz YFMHAFCGXCYSNU-HUUCEWRRSA-N 0 0 389.521 3.804 10 0 GHAERN O=C(NCc1cccc(Cn2cccn2)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180527 837273534 /nfs/dbraw/zinc/27/35/34/837273534.db2.gz YTMRETFVIDNZKR-QHCPKHFHSA-N 0 0 397.482 3.915 10 0 GHAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000114009421 838111626 /nfs/dbraw/zinc/11/16/26/838111626.db2.gz KYWRAWRXSWHWNE-QGZVFWFLSA-N 0 0 379.526 3.514 10 0 GHAERN Cc1noc(C2CCN(S(=O)(=O)c3cc(Cl)c(C)c(Cl)c3)CC2)n1 ZINC000179285380 838537875 /nfs/dbraw/zinc/53/78/75/838537875.db2.gz DQEPDISAGDPCQN-UHFFFAOYSA-N 0 0 390.292 3.562 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(F)c(N4CCCNC4=O)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333230382 844352498 /nfs/dbraw/zinc/35/24/98/844352498.db2.gz YAHHHTMEELWZNF-YOEYTUCGSA-N 0 0 386.471 3.645 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@H]2CCc3cc(Br)ccc32)cn1 ZINC000408032816 838928167 /nfs/dbraw/zinc/92/81/67/838928167.db2.gz CKSYZZLKWGUFFU-DLBZAZTESA-N 0 0 389.297 3.717 10 0 GHAERN C[C@@H](C(=O)N1CCO[C@@H](c2ccccc2Br)C1)c1cccnc1 ZINC000174461926 839529755 /nfs/dbraw/zinc/52/97/55/839529755.db2.gz RXNJZIVVEUINOC-CXAGYDPISA-N 0 0 375.266 3.548 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](C)C(C)(C)c3ccccc3)C2)n1 ZINC000117044977 839539080 /nfs/dbraw/zinc/53/90/80/839539080.db2.gz DADDZUFCBUDWGH-APWZRJJASA-N 0 0 383.540 3.683 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000152993660 839562879 /nfs/dbraw/zinc/56/28/79/839562879.db2.gz ZKQWJBMDBFTTSN-HXUWFJFHSA-N 0 0 379.508 3.776 10 0 GHAERN CC1(C)CN(CC(F)(F)F)CCN1C(=O)/C=C\c1ccnc2ccccc12 ZINC000588383326 839872164 /nfs/dbraw/zinc/87/21/64/839872164.db2.gz PEYXLKWXDNVCHG-FPLPWBNLSA-N 0 0 377.410 3.733 10 0 GHAERN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@H]4CCC[C@@H]43)c2)c1 ZINC000330227282 840242328 /nfs/dbraw/zinc/24/23/28/840242328.db2.gz BXIFUBBWGCLJIK-UZLBHIALSA-N 0 0 384.501 3.810 10 0 GHAERN C[C@@H](NC(=O)c1cccc(NC(=O)C2CC2)c1)c1nc(-c2ccc(F)cc2)no1 ZINC000109552936 840420329 /nfs/dbraw/zinc/42/03/29/840420329.db2.gz UHWGOGMWLQMSOI-GFCCVEGCSA-N 0 0 394.406 3.715 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332684021 844537663 /nfs/dbraw/zinc/53/76/63/844537663.db2.gz LTZCHWUSFHKMDF-RMRDIRSESA-N 0 0 393.325 3.642 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000109997358 840592142 /nfs/dbraw/zinc/59/21/42/840592142.db2.gz DQUYRORZPXHBED-LBPRGKRZSA-N 0 0 385.518 3.818 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000109081158 840688138 /nfs/dbraw/zinc/68/81/38/840688138.db2.gz HVQZKGRRBKCVRP-QZTJIDSGSA-N 0 0 390.474 3.710 10 0 GHAERN O=C(N[C@H]1CCN(c2ccccc2)C1)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332818918 844578077 /nfs/dbraw/zinc/57/80/77/844578077.db2.gz AULAPDUFKQFGRQ-PMACEKPBSA-N 0 0 392.547 3.888 10 0 GHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)C(=O)Nc1nc3ccccc3s1)C2 ZINC000106371846 840929934 /nfs/dbraw/zinc/92/99/34/840929934.db2.gz BEFBEYCSOIVWNG-ZDUSSCGKSA-N 0 0 383.521 3.539 10 0 GHAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000120582770 841397697 /nfs/dbraw/zinc/39/76/97/841397697.db2.gz YBTSOXRBEMOHRT-HZUKXOBISA-N 0 0 375.469 3.803 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CCO2)c1 ZINC000329262373 861218145 /nfs/dbraw/zinc/21/81/45/861218145.db2.gz ZKHGXXVTJDAZNZ-GOSISDBHSA-N 0 0 380.492 3.512 10 0 GHAERN O=C(CCc1ccc(-c2ccccc2F)o1)NCCNC(=O)c1ccccc1 ZINC000105661845 841766374 /nfs/dbraw/zinc/76/63/74/841766374.db2.gz SBANCGAZQGFRMQ-UHFFFAOYSA-N 0 0 380.419 3.565 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 ZINC000408178498 841801258 /nfs/dbraw/zinc/80/12/58/841801258.db2.gz RBTHZRPSMAMQTJ-CYBMUJFWSA-N 0 0 383.473 3.591 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1O ZINC000408316944 842385945 /nfs/dbraw/zinc/38/59/45/842385945.db2.gz UPWHNNHPEJUVIE-UVLALUNPSA-N 0 0 382.504 3.847 10 0 GHAERN Cc1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(C)n1Cc1ccccc1 ZINC000588433695 842425224 /nfs/dbraw/zinc/42/52/24/842425224.db2.gz BXYIFBZTINAVGN-KTKRTIGZSA-N 0 0 397.519 3.964 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)CC2 ZINC000247287320 842483860 /nfs/dbraw/zinc/48/38/60/842483860.db2.gz DRQMKGTYKDROQB-SNPRPXQTSA-N 0 0 392.425 3.655 10 0 GHAERN CC[C@@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)C[C@@]2(CCOC2)O1 ZINC000408326106 842502410 /nfs/dbraw/zinc/50/24/10/842502410.db2.gz IXFIZAJFLYVXFI-ADLMAVQZSA-N 0 0 383.275 3.885 10 0 GHAERN Cc1ccccc1[C@@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000153107428 842503013 /nfs/dbraw/zinc/50/30/13/842503013.db2.gz DLWAVJFPKAYOIS-RXVVDRJESA-N 0 0 381.524 3.793 10 0 GHAERN COc1cccc(-c2cc(NC(=O)/C=C\c3ccncn3)n(-c3ccccc3)n2)c1 ZINC000588436951 842596646 /nfs/dbraw/zinc/59/66/46/842596646.db2.gz BHBRFIPFLJHNFD-KHPPLWFESA-N 0 0 397.438 3.990 10 0 GHAERN O=C(/C=C\c1ccncn1)OCCOc1ccc(Cl)cc1Br ZINC000588444206 842793033 /nfs/dbraw/zinc/79/30/33/842793033.db2.gz XYWHQVGIQWOFAQ-RQOWECAXSA-N 0 0 383.629 3.528 10 0 GHAERN COCc1ccc([C@H]2CCCN2C(=O)NC2CCN(c3cccc(C)n3)CC2)o1 ZINC000163125956 842966820 /nfs/dbraw/zinc/96/68/20/842966820.db2.gz KUBAXQNQJMSMKE-LJQANCHMSA-N 0 0 398.507 3.645 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)CCO2)o1 ZINC000161854268 843144804 /nfs/dbraw/zinc/14/48/04/843144804.db2.gz LPUBPIVJWHNONU-WMLDXEAASA-N 0 0 388.468 3.863 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C[C@@H](C)O1 ZINC000408257146 843620044 /nfs/dbraw/zinc/62/00/44/843620044.db2.gz QRFQDVONKQXOPF-SNUQEOBHSA-N 0 0 384.879 3.766 10 0 GHAERN C[C@@H](c1nc(-c2ccccc2)no1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685422 844721731 /nfs/dbraw/zinc/72/17/31/844721731.db2.gz BHOZVGOQPBJXLG-KRWDZBQOSA-N 0 0 382.508 3.912 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3cccc(OC(C)(C)C)n3)CC2)n1 ZINC000150724451 844984655 /nfs/dbraw/zinc/98/46/55/844984655.db2.gz FCNKUZLVGSQNKS-UHFFFAOYSA-N 0 0 396.535 3.680 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)C2)no1 ZINC000332977089 845175809 /nfs/dbraw/zinc/17/58/09/845175809.db2.gz MVCQYSVOOMPEMT-ZNMIVQPWSA-N 0 0 388.434 3.711 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)C1 ZINC000151571391 845251728 /nfs/dbraw/zinc/25/17/28/845251728.db2.gz QOAFTTKOVBEGES-QZTJIDSGSA-N 0 0 376.570 3.674 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249036062 845493451 /nfs/dbraw/zinc/49/34/51/845493451.db2.gz XJBVYUIRBJCPQW-IUIKQTSFSA-N 0 0 397.397 3.879 10 0 GHAERN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000329533862 861605406 /nfs/dbraw/zinc/60/54/06/861605406.db2.gz YISAEQVPIJAYFI-GOSISDBHSA-N 0 0 379.439 3.591 10 0 GHAERN CCc1c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cnn1-c1ccccc1C ZINC000588493403 846025004 /nfs/dbraw/zinc/02/50/04/846025004.db2.gz JAZOGDHUPPOTLP-KTKRTIGZSA-N 0 0 398.507 3.554 10 0 GHAERN COC(=O)/C=C/c1ccc(OC(=O)Cc2ccc3c(c2)CCCC3)c(OC)c1 ZINC000105634203 846025141 /nfs/dbraw/zinc/02/51/41/846025141.db2.gz ZBNLZLZJRQFGJT-FMIVXFBMSA-N 0 0 380.440 3.908 10 0 GHAERN Cc1cccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1NC(=O)c1ccncc1 ZINC000152229180 846461286 /nfs/dbraw/zinc/46/12/86/846461286.db2.gz BYFNGLJVHDIFAR-RZUBCFFCSA-N 0 0 383.451 3.710 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000588507644 846655015 /nfs/dbraw/zinc/65/50/15/846655015.db2.gz MCVFYAFQFRJDBP-UQCOIBPSSA-N 0 0 383.879 3.514 10 0 GHAERN CN(C(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152345258 846726540 /nfs/dbraw/zinc/72/65/40/846726540.db2.gz CECCWGPBFNEXCP-YJBOKZPZSA-N 0 0 387.553 3.936 10 0 GHAERN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333615557 846995406 /nfs/dbraw/zinc/99/54/06/846995406.db2.gz FNWHJMAAYFIXFT-FZKQIMNGSA-N 0 0 394.313 3.880 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(c2cccc(F)c2)CCCCC1 ZINC000118671595 847033525 /nfs/dbraw/zinc/03/35/25/847033525.db2.gz AQEFYIPJFAMJOG-LJQANCHMSA-N 0 0 382.483 3.603 10 0 GHAERN CCOC(=O)C[C@H](OC(=O)/C=C\c1scnc1C)c1ccc(F)c(F)c1 ZINC000588522407 847354684 /nfs/dbraw/zinc/35/46/84/847354684.db2.gz GTMFMTZVQCTHGM-XHPSBEMXSA-N 0 0 381.400 3.981 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(=O)[nH]c4cc(F)ccc43)C2)cc1 ZINC000152654409 847478133 /nfs/dbraw/zinc/47/81/33/847478133.db2.gz LIIFRRJJDKGGHD-HIFRSBDPSA-N 0 0 380.419 3.694 10 0 GHAERN CC(F)(F)c1cccc(NC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000588537649 848010643 /nfs/dbraw/zinc/01/06/43/848010643.db2.gz RVCXNIXPDRXZFF-FLIBITNWSA-N 0 0 380.416 3.822 10 0 GHAERN CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3SCCc4sccc43)C2)no1 ZINC000329635259 861856322 /nfs/dbraw/zinc/85/63/22/861856322.db2.gz UJMOYKBBCQMUMV-SWLSCSKDSA-N 0 0 377.535 3.991 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1ccc3c(c1)NC(=O)C3(C)C)CCCC2 ZINC000295378732 848950570 /nfs/dbraw/zinc/95/05/70/848950570.db2.gz OYOSRBIFUWCLQF-IBGZPJMESA-N 0 0 392.503 3.506 10 0 GHAERN CCOC1CC(CCNS(=O)(=O)/C=C\c2ccc(Br)cc2)C1 ZINC000588568179 849324589 /nfs/dbraw/zinc/32/45/89/849324589.db2.gz KRFYRKVBTVDYJG-NTMALXAHSA-N 0 0 388.327 3.544 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc2ccccc2c1 ZINC000155266281 849488533 /nfs/dbraw/zinc/48/85/33/849488533.db2.gz FKFUAOMCZPRGLS-KRWDZBQOSA-N 0 0 392.503 3.679 10 0 GHAERN C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](c2ccsc2)O1 ZINC000155554075 849554046 /nfs/dbraw/zinc/55/40/46/849554046.db2.gz QJLMUZXUZSEKCU-ISTRZQFTSA-N 0 0 388.514 3.540 10 0 GHAERN CCc1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1S(C)(=O)=O ZINC000155618959 849571055 /nfs/dbraw/zinc/57/10/55/849571055.db2.gz LVDPIKMRZIQKJD-UHFFFAOYSA-N 0 0 375.515 3.644 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187797776 851258626 /nfs/dbraw/zinc/25/86/26/851258626.db2.gz BWWUKCQSMIJGNO-QAPCUYQASA-N 0 0 381.314 3.594 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)C(=O)N1CCCC[C@H]1C ZINC000119700594 851365902 /nfs/dbraw/zinc/36/59/02/851365902.db2.gz QGFKMSBEIHUGAA-ZIFCJYIRSA-N 0 0 399.535 3.912 10 0 GHAERN Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cccc4cnccc43)C2)sc1C ZINC000329735875 862274192 /nfs/dbraw/zinc/27/41/92/862274192.db2.gz LCPNRIQLNBVOSU-MRXNPFEDSA-N 0 0 387.530 3.876 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)n1 ZINC000101607418 851726756 /nfs/dbraw/zinc/72/67/56/851726756.db2.gz YBTYIRJSDSBUSV-CYBMUJFWSA-N 0 0 384.411 3.912 10 0 GHAERN Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000101614637 851754126 /nfs/dbraw/zinc/75/41/26/851754126.db2.gz BZDZKXUILJXPMH-KRWDZBQOSA-N 0 0 377.492 3.914 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000101618536 851756681 /nfs/dbraw/zinc/75/66/81/851756681.db2.gz HMOVOYIRBWLNII-SFHVURJKSA-N 0 0 384.867 3.857 10 0 GHAERN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)n[nH]2)c1 ZINC000101672220 851825836 /nfs/dbraw/zinc/82/58/36/851825836.db2.gz MCUKSWJQXWFWES-UHFFFAOYSA-N 0 0 398.488 3.626 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000101771478 851898754 /nfs/dbraw/zinc/89/87/54/851898754.db2.gz ZAIPKZCOHLMFHN-CABCVRRESA-N 0 0 379.932 3.983 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000101778448 851916103 /nfs/dbraw/zinc/91/61/03/851916103.db2.gz SBNYRUDDKLNYDA-GOSISDBHSA-N 0 0 385.552 3.691 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000101778453 851916628 /nfs/dbraw/zinc/91/66/28/851916628.db2.gz SBNYRUDDKLNYDA-SFHVURJKSA-N 0 0 385.552 3.691 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000101937755 852016336 /nfs/dbraw/zinc/01/63/36/852016336.db2.gz LZZMGBMYIZIIRJ-LLVKDONJSA-N 0 0 383.323 3.989 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)N[C@@H]2CCc3c2cccc3Br)cn1 ZINC000171370332 852625352 /nfs/dbraw/zinc/62/53/52/852625352.db2.gz SWKQOMCJTWKOQX-IAGOWNOFSA-N 0 0 389.297 3.717 10 0 GHAERN C[C@@H]1CN(c2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CCS1 ZINC000171608162 853385394 /nfs/dbraw/zinc/38/53/94/853385394.db2.gz IPIZWDIGFVSDHN-GFCCVEGCSA-N 0 0 383.546 3.969 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)Nc3nc4c(s3)CCCCC4)CC2)s1 ZINC000171808368 853936077 /nfs/dbraw/zinc/93/60/77/853936077.db2.gz YMMCQVKVDODLER-UHFFFAOYSA-N 0 0 391.566 3.527 10 0 GHAERN C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000328850569 854576200 /nfs/dbraw/zinc/57/62/00/854576200.db2.gz WKVKUCRBKUKUTP-DJSGYFEHSA-N 0 0 389.908 3.946 10 0 GHAERN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)C1 ZINC000328873740 854592395 /nfs/dbraw/zinc/59/23/95/854592395.db2.gz YZHSGAUCJZAIKE-PJVZLEMVSA-N 0 0 390.572 3.716 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc(C)nc3c(F)c(F)ccc23)CC(=O)N1C ZINC000330145511 862612765 /nfs/dbraw/zinc/61/27/65/862612765.db2.gz SHXGCNISTDWLGO-IIBYNOLFSA-N 0 0 399.445 3.556 10 0 GHAERN CC(C)c1cccc2c1CCN(C(=O)N[C@H]1CCS(=O)(=O)c3ccccc31)C2 ZINC000189903877 855228338 /nfs/dbraw/zinc/22/83/38/855228338.db2.gz LHRHBXNOPCGTNH-FQEVSTJZSA-N 0 0 398.528 3.796 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c2ccccc21 ZINC000182042552 855615226 /nfs/dbraw/zinc/61/52/26/855615226.db2.gz UKQRKXRVYQBRGR-UIAACRFSSA-N 0 0 378.476 3.515 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@@H]1C ZINC000192418162 855810999 /nfs/dbraw/zinc/81/09/99/855810999.db2.gz INVRVDIWSOMIRV-JSGCOSHPSA-N 0 0 383.286 3.729 10 0 GHAERN O=C(CN1C(=S)N=NC1c1cccs1)N1CC=C(c2ccccc2)CC1 ZINC000030996397 856136394 /nfs/dbraw/zinc/13/63/94/856136394.db2.gz XKLBPFBSHGNIIN-UHFFFAOYSA-N 0 0 382.514 3.611 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c12 ZINC000046489578 856862790 /nfs/dbraw/zinc/86/27/90/856862790.db2.gz FTHRNHNTITZORH-OALUTQOASA-N 0 0 377.444 3.982 10 0 GHAERN O=C(Nc1ccc2n[nH]cc2c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000130608531 857499386 /nfs/dbraw/zinc/49/93/86/857499386.db2.gz YRGHUPRJVVJYDR-FDBJDISXSA-N 0 0 392.503 3.709 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H](Cn2ccnn2)C1 ZINC000131372411 857734747 /nfs/dbraw/zinc/73/47/47/857734747.db2.gz COYSVGUSLPMCCI-PKOBYXMFSA-N 0 0 395.507 3.536 10 0 GHAERN COc1ccccc1C1(CNC(=O)N2CCC(c3ccnn3C)CC2)CCCC1 ZINC000157472307 858380946 /nfs/dbraw/zinc/38/09/46/858380946.db2.gz SOEIFQZHLUMJHZ-UHFFFAOYSA-N 0 0 396.535 3.830 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ccccc2)CC1 ZINC000067388053 858610950 /nfs/dbraw/zinc/61/09/50/858610950.db2.gz PXSBLXVFBVJQIG-ICSRJNTNSA-N 0 0 398.528 3.884 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000027850475 858735259 /nfs/dbraw/zinc/73/52/59/858735259.db2.gz HAFUEFKEBSUXPL-QWRGUYRKSA-N 0 0 399.438 3.564 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cnn(-c2ccccc2)c1 ZINC000010499199 860036122 /nfs/dbraw/zinc/03/61/22/860036122.db2.gz LAUHRPCHNUBGQA-UHFFFAOYSA-N 0 0 390.418 3.915 10 0 GHAERN COc1ccccc1CC1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000102410575 860262534 /nfs/dbraw/zinc/26/25/34/860262534.db2.gz DTCIWBXDFIZCQK-MRXNPFEDSA-N 0 0 377.488 3.947 10 0 GHAERN COC(=O)C[C@H](NC(=O)c1cccc2ncccc21)c1ccc(SC)cc1 ZINC000102859019 860881725 /nfs/dbraw/zinc/88/17/25/860881725.db2.gz MZTSWTOLUGXYHS-IBGZPJMESA-N 0 0 380.469 3.991 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)[C@H]1CCCN1c1ncnc2sccc21 ZINC000102999511 860891266 /nfs/dbraw/zinc/89/12/66/860891266.db2.gz BDIHOVSGQJILCE-QGZVFWFLSA-N 0 0 384.480 3.500 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc2cc(OC)ccc2n1 ZINC000102913624 860900950 /nfs/dbraw/zinc/90/09/50/860900950.db2.gz MGBNKOPIBXHHHN-UHFFFAOYSA-N 0 0 391.471 3.608 10 0 GHAERN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928890 860904069 /nfs/dbraw/zinc/90/40/69/860904069.db2.gz BSSRUYWYSYUFCN-INIZCTEOSA-N 0 0 390.386 3.792 10 0 GHAERN CCOCc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102940809 860909984 /nfs/dbraw/zinc/90/99/84/860909984.db2.gz DTTZQXWZTPTONV-LJQANCHMSA-N 0 0 382.460 3.999 10 0 GHAERN COc1cc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@@]3(C)O)[nH]c2cc1OC ZINC000329061347 860984812 /nfs/dbraw/zinc/98/48/12/860984812.db2.gz NNPFXTPDTHAXFB-YBOAYWMSSA-N 0 0 386.492 3.731 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C2=O)cnn1-c1cc(C)ccc1C ZINC000329208709 861140849 /nfs/dbraw/zinc/14/08/49/861140849.db2.gz BURCHRGUGCMYKX-SCTDSRPQSA-N 0 0 378.476 3.897 10 0 GHAERN COCc1ccccc1S(=O)(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329232705 861178712 /nfs/dbraw/zinc/17/87/12/861178712.db2.gz GFKGCABBZKIOHF-GOSISDBHSA-N 0 0 387.501 3.948 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 ZINC000329239597 861183864 /nfs/dbraw/zinc/18/38/64/861183864.db2.gz MBWWJTGXLKZRHX-WIYYLYMNSA-N 0 0 399.539 3.838 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(F)ccc1Cl ZINC000103159489 863896243 /nfs/dbraw/zinc/89/62/43/863896243.db2.gz GUQBECLIWUEFNO-UHFFFAOYSA-N 0 0 398.818 3.794 10 0 GHAERN C[C@@H](NC(=O)NCc1ccnn1C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000103184209 863904831 /nfs/dbraw/zinc/90/48/31/863904831.db2.gz PMRQDHMAKJZYDE-OAHLLOKOSA-N 0 0 382.439 3.699 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c(C)c1 ZINC000103236202 863918715 /nfs/dbraw/zinc/91/87/15/863918715.db2.gz MOIJJOONQUZWBE-UHFFFAOYSA-N 0 0 378.476 3.899 10 0 GHAERN CCCNC(=O)c1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103236306 863919608 /nfs/dbraw/zinc/91/96/08/863919608.db2.gz TUEUDGISFNQVCK-UHFFFAOYSA-N 0 0 378.476 3.980 10 0 GHAERN Cc1cccc(CNC(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)n1 ZINC000103294996 863943422 /nfs/dbraw/zinc/94/34/22/863943422.db2.gz BGUWMBOKALJOPW-UHFFFAOYSA-N 0 0 394.454 3.836 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)COc2ccc(Cl)c3cccnc23)cc1 ZINC000103418189 864017761 /nfs/dbraw/zinc/01/77/61/864017761.db2.gz ADAXLGRPIHCXMC-UHFFFAOYSA-N 0 0 397.862 3.584 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000103857876 864058274 /nfs/dbraw/zinc/05/82/74/864058274.db2.gz AKJRLWJWDZADAX-UHFFFAOYSA-N 0 0 380.492 3.628 10 0 GHAERN CC(C)(C)OCc1cccc(CNC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103786624 864092337 /nfs/dbraw/zinc/09/23/37/864092337.db2.gz NXPCBEUYLDTYMY-UHFFFAOYSA-N 0 0 399.882 3.561 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)cc1C ZINC000104368764 864307448 /nfs/dbraw/zinc/30/74/48/864307448.db2.gz IKQDZJXJTHYYFO-FQEVSTJZSA-N 0 0 395.503 3.967 10 0 GHAERN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000249918300 864912885 /nfs/dbraw/zinc/91/28/85/864912885.db2.gz XZILWEGQVBNNON-HUUCEWRRSA-N 0 0 387.505 3.511 10 0 GHAERN Fc1ccc(Cc2nnc(N3CCC[C@H]3c3nnc4n3CCCCC4)s2)cc1 ZINC000302134864 865727988 /nfs/dbraw/zinc/72/79/88/865727988.db2.gz ZNIYRWLDLVNQIE-INIZCTEOSA-N 0 0 398.511 3.927 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)n1 ZINC000110581341 866646571 /nfs/dbraw/zinc/64/65/71/866646571.db2.gz KDDDFWSPCBEWMU-OAHLLOKOSA-N 0 0 382.537 3.695 10 0 GHAERN COc1ccc(C2(CNC(=O)N3CC[C@H](c4cnn(C)c4)C3)CCCCC2)cc1 ZINC000116424667 866791275 /nfs/dbraw/zinc/79/12/75/866791275.db2.gz KUVCOLYNNZVQOC-SFHVURJKSA-N 0 0 396.535 3.830 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)nn1-c1ccccc1Cl ZINC000180146293 866814695 /nfs/dbraw/zinc/81/46/95/866814695.db2.gz QMQGJMKHFQYAIV-YWZLYKJASA-N 0 0 388.899 3.993 10 0 GHAERN Cc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000169854487 882030293 /nfs/dbraw/zinc/03/02/93/882030293.db2.gz RAYJDDDHOMCLRS-UHFFFAOYSA-N 0 0 398.478 3.714 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)c1cccnc1 ZINC000170884376 882063707 /nfs/dbraw/zinc/06/37/07/882063707.db2.gz AUJXEOYRRMMHRN-PZJWPPBQSA-N 0 0 386.455 3.596 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)N1CCC[C@H](c2nccs2)C1 ZINC000170890071 882067995 /nfs/dbraw/zinc/06/79/95/882067995.db2.gz SJWYJJQWIQAVMJ-ZDUSSCGKSA-N 0 0 388.518 3.984 10 0 GHAERN COc1ccc(-c2noc(C[S@](=O)Cc3nc4ccccc4s3)n2)cc1 ZINC000170997643 882085088 /nfs/dbraw/zinc/08/50/88/882085088.db2.gz VVJMEVGZTOSBEX-SANMLTNESA-N 0 0 385.470 3.804 10 0 GHAERN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2C1=O ZINC000171647168 882121776 /nfs/dbraw/zinc/12/17/76/882121776.db2.gz GPUCWKCKNCHOMO-HNNXBMFYSA-N 0 0 397.500 3.559 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CCC(c2ccccc2)CC1 ZINC000171896097 882147064 /nfs/dbraw/zinc/14/70/64/882147064.db2.gz ZCAIBNCQMPLVAH-UHFFFAOYSA-N 0 0 377.444 3.752 10 0 GHAERN O=C(/C=C/c1ccc(Cl)s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171812594 882162263 /nfs/dbraw/zinc/16/22/63/882162263.db2.gz FJCJGBVOBKUOPB-FNORWQNLSA-N 0 0 380.922 3.851 10 0 GHAERN Cc1cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c2ccccc2n1 ZINC000171812562 882162943 /nfs/dbraw/zinc/16/29/43/882162943.db2.gz VWKSMZUVEGGQGN-UHFFFAOYSA-N 0 0 379.485 3.593 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCc2ccccc2C1 ZINC000172140198 882171708 /nfs/dbraw/zinc/17/17/08/882171708.db2.gz GNLUZZNISOQUND-LJQANCHMSA-N 0 0 382.529 3.616 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000172043725 882184197 /nfs/dbraw/zinc/18/41/97/882184197.db2.gz UBKDMNSWFBABQQ-JLTOFOAXSA-N 0 0 376.412 3.713 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000172854503 882313692 /nfs/dbraw/zinc/31/36/92/882313692.db2.gz NFDXXLMACXKNLU-UHFFFAOYSA-N 0 0 395.894 3.735 10 0 GHAERN O=C(c1ccccc1)N1CCC(C(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000173064461 882318786 /nfs/dbraw/zinc/31/87/86/882318786.db2.gz HITAXDGFGVWJSD-UHFFFAOYSA-N 0 0 380.513 3.916 10 0 GHAERN C[C@@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Sc1ccccc1 ZINC000172914058 882323094 /nfs/dbraw/zinc/32/30/94/882323094.db2.gz ASMHQHROUCUXDM-HNNXBMFYSA-N 0 0 388.558 3.897 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(Cl)c1 ZINC000172905862 882323877 /nfs/dbraw/zinc/32/38/77/882323877.db2.gz LLQMZEQSXZMYML-UHFFFAOYSA-N 0 0 399.922 3.681 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1OC(F)F ZINC000173040611 882333305 /nfs/dbraw/zinc/33/33/05/882333305.db2.gz WEESYLXXBNJPSE-INIZCTEOSA-N 0 0 389.402 3.625 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@](=O)Cc2cccc(Cl)c2)cc1 ZINC000173158594 882335342 /nfs/dbraw/zinc/33/53/42/882335342.db2.gz SOHNOTCHOWZJGP-NIYFSFCBSA-N 0 0 391.920 3.961 10 0 GHAERN Cc1sc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1C ZINC000173481369 882365356 /nfs/dbraw/zinc/36/53/56/882365356.db2.gz LSAZQJPLLKFHQP-UHFFFAOYSA-N 0 0 391.581 3.726 10 0 GHAERN CCc1nc(CCNC(=O)c2ccccc2SCc2nc(C)no2)cs1 ZINC000102378268 882365952 /nfs/dbraw/zinc/36/59/52/882365952.db2.gz NNHFDGFCPHHKMV-UHFFFAOYSA-N 0 0 388.518 3.662 10 0 GHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126620214 870134708 /nfs/dbraw/zinc/13/47/08/870134708.db2.gz GWKQHVYWLUEWCO-QGZVFWFLSA-N 0 0 395.532 3.879 10 0 GHAERN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1cc(N2CCCC2)ccn1 ZINC000189382286 870298597 /nfs/dbraw/zinc/29/85/97/870298597.db2.gz PQQICKDRIATMEZ-HKUYNNGSSA-N 0 0 389.858 3.734 10 0 GHAERN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@H]2CCCC[C@H]21 ZINC000047217484 870460695 /nfs/dbraw/zinc/46/06/95/870460695.db2.gz HTKPVAROJXKMHM-SJORKVTESA-N 0 0 390.281 3.623 10 0 GHAERN O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000428192001 870554623 /nfs/dbraw/zinc/55/46/23/870554623.db2.gz ZBIXWLZHZZMZDD-MJBXVCDLSA-N 0 0 379.494 3.713 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)c(F)c1)NC1CCN(c2ncccn2)CC1 ZINC000174064552 882419735 /nfs/dbraw/zinc/41/97/35/882419735.db2.gz WKVADKDIBNEZRY-UHFFFAOYSA-N 0 0 399.470 3.728 10 0 GHAERN Cc1ccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000174072599 882420920 /nfs/dbraw/zinc/42/09/20/882420920.db2.gz JHCUDOSXHQOAJD-KRWDZBQOSA-N 0 0 398.478 3.570 10 0 GHAERN O=C(Nc1ccc(CCN2CCOCC2)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000056762172 870584968 /nfs/dbraw/zinc/58/49/68/870584968.db2.gz UUWWDIVUVYQGKL-WMZOPIPTSA-N 0 0 399.457 3.804 10 0 GHAERN CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000102723268 870597476 /nfs/dbraw/zinc/59/74/76/870597476.db2.gz WASBBZUCAHARAZ-GOSISDBHSA-N 0 0 376.522 3.786 10 0 GHAERN CCOC(=O)N(C)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000174365196 882458646 /nfs/dbraw/zinc/45/86/46/882458646.db2.gz JDENNJFGBNBFGB-MSOLQXFVSA-N 0 0 385.468 3.781 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000174375857 882460191 /nfs/dbraw/zinc/46/01/91/882460191.db2.gz ZKBLRMYHLJBQJP-RTBURBONSA-N 0 0 392.540 3.811 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000103045096 871137405 /nfs/dbraw/zinc/13/74/05/871137405.db2.gz RVZDFAORHOSHNU-QRWLVFNGSA-N 0 0 392.455 3.736 10 0 GHAERN O=C(NC1CC1)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174762056 882501271 /nfs/dbraw/zinc/50/12/71/882501271.db2.gz RJHRLZHSJWOQSV-UHFFFAOYSA-N 0 0 396.466 3.826 10 0 GHAERN C[C@@H](CC(=O)N1CCCN(C(=O)c2cccs2)CC1)Cc1cccc(F)c1 ZINC000174810981 882505257 /nfs/dbraw/zinc/50/52/57/882505257.db2.gz HBDDZBUVGMSWPT-MRXNPFEDSA-N 0 0 388.508 3.831 10 0 GHAERN CCOC(=O)N[C@H](CNC(=O)N[C@H](c1ccccc1)c1ccncc1)CC(C)C ZINC000103307622 871671658 /nfs/dbraw/zinc/67/16/58/871671658.db2.gz AKJQBFZBQYJYFF-VQTJNVASSA-N 0 0 398.507 3.631 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3csc(-c4ccccn4)n3)C2)c1 ZINC000175392751 882549836 /nfs/dbraw/zinc/54/98/36/882549836.db2.gz TWAPWQGIFVXQCN-AWEZNQCLSA-N 0 0 395.484 3.852 10 0 GHAERN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N(C)c2ccc(C)cc2)cc1OC ZINC000101526990 872066348 /nfs/dbraw/zinc/06/63/48/872066348.db2.gz JDSZKXSTGRIMQE-GOEBONIOSA-N 0 0 382.460 3.883 10 0 GHAERN C[C@@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C[C@@H](C)C1 ZINC000163821716 872253698 /nfs/dbraw/zinc/25/36/98/872253698.db2.gz WOKZZYRKOBUWOD-SJORKVTESA-N 0 0 389.565 3.704 10 0 GHAERN Cc1cc(-c2noc(CCC(=O)N[C@H]3CCO[C@H]3c3ccccc3)n2)ccc1F ZINC000175601030 882602187 /nfs/dbraw/zinc/60/21/87/882602187.db2.gz GIYBARYRGULXRW-RXVVDRJESA-N 0 0 395.434 3.763 10 0 GHAERN CCC(CC)c1cc(CNC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)on1 ZINC000175902132 882613446 /nfs/dbraw/zinc/61/34/46/882613446.db2.gz UQSUWJZOWKETOQ-SFHVURJKSA-N 0 0 382.468 3.594 10 0 GHAERN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000102320174 872932850 /nfs/dbraw/zinc/93/28/50/872932850.db2.gz FHUQCUGPWOJNDO-UHFFFAOYSA-N 0 0 397.500 3.730 10 0 GHAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C ZINC000102743982 873525056 /nfs/dbraw/zinc/52/50/56/873525056.db2.gz IZQZTILGVMLROT-YWZLYKJASA-N 0 0 384.501 3.995 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)COCC3CC3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102744310 873525145 /nfs/dbraw/zinc/52/51/45/873525145.db2.gz PQLUEPZJYMDHPU-CHWSQXEVSA-N 0 0 386.414 3.684 10 0 GHAERN COc1cccc(/C=C/C(=O)N2CCO[C@H](c3ccco3)C2)c1OC(F)F ZINC000176819304 882739908 /nfs/dbraw/zinc/73/99/08/882739908.db2.gz WDGVRKDNHQGLLY-WAVCKPEOSA-N 0 0 379.359 3.503 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(F)cc3Br)CC2)n1 ZINC000116668256 873614826 /nfs/dbraw/zinc/61/48/26/873614826.db2.gz OFDPPHRLQLSPSQ-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN CCC(CC)N(CCOC)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000102904700 873806216 /nfs/dbraw/zinc/80/62/16/873806216.db2.gz ZOSOPTGZWOAQFY-UHFFFAOYSA-N 0 0 375.513 3.550 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000117758609 874157474 /nfs/dbraw/zinc/15/74/74/874157474.db2.gz FCKKVNQPVIXOQP-VBKZILBWSA-N 0 0 397.450 3.503 10 0 GHAERN O=C(NCCCc1ccccn1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000178418163 882913924 /nfs/dbraw/zinc/91/39/24/882913924.db2.gz GIBCKSFQUJFWSP-IBGZPJMESA-N 0 0 389.503 3.994 10 0 GHAERN C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C[C@H](c2ccsc2)O1 ZINC000119541093 875315238 /nfs/dbraw/zinc/31/52/38/875315238.db2.gz PNIRRVYEWZGQKZ-UEKVPHQBSA-N 0 0 399.438 3.584 10 0 GHAERN COC(=O)c1sccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000178826011 882956919 /nfs/dbraw/zinc/95/69/19/882956919.db2.gz SFHRDMVVNQWLJV-UHFFFAOYSA-N 0 0 377.441 3.782 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179361246 882964790 /nfs/dbraw/zinc/96/47/90/882964790.db2.gz GSIOBTSUQSQYQW-LBPRGKRZSA-N 0 0 385.518 3.887 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)CCO2)o1 ZINC000179180084 882976892 /nfs/dbraw/zinc/97/68/92/882976892.db2.gz ITHGUBZPACSPAI-HLAWJBBLSA-N 0 0 384.476 3.839 10 0 GHAERN CC1(C)C[C@@H](NC(=O)c2cccc(CN3CCCC3=O)c2)c2ccccc2O1 ZINC000121464414 877098168 /nfs/dbraw/zinc/09/81/68/877098168.db2.gz SSOYAFFJJVQDPV-LJQANCHMSA-N 0 0 378.472 3.841 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180845121 883101949 /nfs/dbraw/zinc/10/19/49/883101949.db2.gz KNALFOABRMRNQR-HMQMGEFJSA-N 0 0 389.544 3.757 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000023879938 877916722 /nfs/dbraw/zinc/91/67/22/877916722.db2.gz ZDXBWNLWHDXTMX-VUVZNRFTSA-N 0 0 394.519 3.823 10 0 GHAERN Cc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O ZINC000003468879 879018788 /nfs/dbraw/zinc/01/87/88/879018788.db2.gz KMTMDLCHTSGRIX-UHFFFAOYSA-N 0 0 381.501 3.701 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C[C@H](O)c3cccs3)nc21 ZINC000122997085 879772377 /nfs/dbraw/zinc/77/23/77/879772377.db2.gz MQXVHCCNXRMNKH-RDJZCZTQSA-N 0 0 383.517 3.980 10 0 GHAERN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249437163 879854128 /nfs/dbraw/zinc/85/41/28/879854128.db2.gz LFUBRZKUOWSMSP-UXEPBGEESA-N 0 0 392.368 3.905 10 0 GHAERN C[C@@]1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1(Cl)Cl ZINC000181345325 883141833 /nfs/dbraw/zinc/14/18/33/883141833.db2.gz QOUXPZZFMAKBCA-DYVFJYSZSA-N 0 0 379.291 3.762 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000182103611 883204939 /nfs/dbraw/zinc/20/49/39/883204939.db2.gz BGUQWNCCQFVASU-FKUVRRMFSA-N 0 0 382.460 3.730 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](C)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182213021 883211896 /nfs/dbraw/zinc/21/18/96/883211896.db2.gz GQUGDYVEWKFUAO-CMJOXMDJSA-N 0 0 393.487 3.903 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3nc4ccccc4n3C)cc2)CCC(=O)NC1=O ZINC000182739392 883233564 /nfs/dbraw/zinc/23/35/64/883233564.db2.gz BEJODLAOHSEESP-NPMXOYFQSA-N 0 0 390.487 3.831 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N[C@H](C)Cc3ccccc3F)C2)c1 ZINC000102449664 883256223 /nfs/dbraw/zinc/25/62/23/883256223.db2.gz FKIPHMZCADXXSY-SJORKVTESA-N 0 0 385.483 3.591 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N[C@@H](C)Cc3ccccc3F)C2)c1 ZINC000102449668 883256949 /nfs/dbraw/zinc/25/69/49/883256949.db2.gz FKIPHMZCADXXSY-DLBZAZTESA-N 0 0 385.483 3.591 10 0 GHAERN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183081594 883261259 /nfs/dbraw/zinc/26/12/59/883261259.db2.gz QCHJVPSIXIHRJA-OQRWROFFSA-N 0 0 389.525 3.611 10 0 GHAERN CC[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184014124 883297620 /nfs/dbraw/zinc/29/76/20/883297620.db2.gz ZQFWSLCYMHADOA-MOXGXCLJSA-N 0 0 375.488 3.887 10 0 GHAERN CC[C@H](NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1nccs1 ZINC000184036739 883302889 /nfs/dbraw/zinc/30/28/89/883302889.db2.gz DLUWWCJOHUHLIF-IRXDYDNUSA-N 0 0 390.484 3.526 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C/C=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184162270 883325467 /nfs/dbraw/zinc/32/54/67/883325467.db2.gz FKGADKVVIBTWDZ-ATKOVBFVSA-N 0 0 384.426 3.978 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCSC[C@@H]2c2nccs2)ccc1OC ZINC000184160559 883325551 /nfs/dbraw/zinc/32/55/51/883325551.db2.gz BTIAEGBGWMIXCD-KEDPEKRHSA-N 0 0 390.530 3.880 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184625281 883367599 /nfs/dbraw/zinc/36/75/99/883367599.db2.gz KGYAKAPCSIXUPR-GOSISDBHSA-N 0 0 396.495 3.545 10 0 GHAERN CCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H](c4nccs4)C3)ccc21 ZINC000184695746 883375731 /nfs/dbraw/zinc/37/57/31/883375731.db2.gz HPQLSONZEKWPTA-OAHLLOKOSA-N 0 0 384.505 3.854 10 0 GHAERN CCN1C(=O)CCc2cc(NC(=O)NC3CCN(c4cccs4)CC3)ccc21 ZINC000184692743 883376397 /nfs/dbraw/zinc/37/63/97/883376397.db2.gz GJPXIUSIMYISEP-UHFFFAOYSA-N 0 0 398.532 3.838 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccncc1 ZINC000184710390 883379749 /nfs/dbraw/zinc/37/97/49/883379749.db2.gz RFUYWULOJIRDFU-CRAIPNDOSA-N 0 0 376.464 3.517 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000184829710 883385032 /nfs/dbraw/zinc/38/50/32/883385032.db2.gz VFYPILUTIRAVPU-QGZVFWFLSA-N 0 0 377.366 3.719 10 0 GHAERN CCOc1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184826508 883385418 /nfs/dbraw/zinc/38/54/18/883385418.db2.gz HFDGVGHZZKEDHN-FQEVSTJZSA-N 0 0 385.439 3.839 10 0 GHAERN CN1CC[C@H](CNC(=O)N2CCSC[C@@H]2c2nccs2)c2ccccc21 ZINC000185212835 883426130 /nfs/dbraw/zinc/42/61/30/883426130.db2.gz DQEULOHYHYJEDI-RHSMWYFYSA-N 0 0 388.562 3.566 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)CCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185538151 883552663 /nfs/dbraw/zinc/55/26/63/883552663.db2.gz GDXDOTVCHNXGIZ-KSFYIVLOSA-N 0 0 398.478 3.840 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185547307 883554454 /nfs/dbraw/zinc/55/44/54/883554454.db2.gz SWFVUAGXXGEKTI-KSFYIVLOSA-N 0 0 382.479 3.922 10 0 GHAERN CC(C)(C)c1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1O ZINC000185855693 883594002 /nfs/dbraw/zinc/59/40/02/883594002.db2.gz OJMJCRMCIPBGFF-UHFFFAOYSA-N 0 0 381.476 3.576 10 0 GHAERN COc1ccc(-c2ncc(C(=O)N3CCCN(c4ccccn4)CC3)s2)cc1 ZINC000186388366 883654201 /nfs/dbraw/zinc/65/42/01/883654201.db2.gz GTYQDEWJVMMASU-UHFFFAOYSA-N 0 0 394.500 3.566 10 0 GHAERN Cc1c([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)nnn1-c1ccc(F)cc1 ZINC000186557245 883662784 /nfs/dbraw/zinc/66/27/84/883662784.db2.gz AGFJUYIQZFLWKM-LBPRGKRZSA-N 0 0 380.427 3.865 10 0 GHAERN CN1Cc2cc(NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)ccc2NC1=O ZINC000186574304 883664531 /nfs/dbraw/zinc/66/45/31/883664531.db2.gz KSKMOXUELIYDAV-IBGZPJMESA-N 0 0 394.475 3.877 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)ccc2NC1=O ZINC000186582725 883665964 /nfs/dbraw/zinc/66/59/64/883665964.db2.gz JLTIVEVSMVYLRW-GOSISDBHSA-N 0 0 379.464 3.772 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)cc1 ZINC000186618529 883674684 /nfs/dbraw/zinc/67/46/84/883674684.db2.gz JJEMAVNJLSRSKA-SFHVURJKSA-N 0 0 393.491 3.763 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3Br)ccc2NC1=O ZINC000186611353 883674928 /nfs/dbraw/zinc/67/49/28/883674928.db2.gz KOINUFOSCPZVCD-UHFFFAOYSA-N 0 0 389.253 3.748 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccsc2)O1 ZINC000186676301 883686191 /nfs/dbraw/zinc/68/61/91/883686191.db2.gz CCQSQULYSGMGIO-PXAZEXFGSA-N 0 0 386.477 3.719 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)ccc2NC1=O ZINC000186702648 883693427 /nfs/dbraw/zinc/69/34/27/883693427.db2.gz AJTBWVIIRMBZNI-YWZLYKJASA-N 0 0 394.475 3.953 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)NCc1nnc(-c2ccccc2)s1 ZINC000186806000 883707374 /nfs/dbraw/zinc/70/73/74/883707374.db2.gz GJEFFQWYKPZCMP-UHFFFAOYSA-N 0 0 388.474 3.683 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000186835403 883720666 /nfs/dbraw/zinc/72/06/66/883720666.db2.gz VUADRWXSRORJSF-CQSZACIVSA-N 0 0 378.425 3.588 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000186955387 883737985 /nfs/dbraw/zinc/73/79/85/883737985.db2.gz XLOUEVODGGWHSK-RXVVDRJESA-N 0 0 387.499 3.634 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@]3(C2)OCc2ccccc23)n1 ZINC000186971394 883739520 /nfs/dbraw/zinc/73/95/20/883739520.db2.gz DLRJHHJMSHHHHV-HXUWFJFHSA-N 0 0 375.419 3.748 10 0 GHAERN COc1cnccc1[C@@H](C)NCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000187083673 883752890 /nfs/dbraw/zinc/75/28/90/883752890.db2.gz LWQSOVSBTONOHZ-MRXNPFEDSA-N 0 0 390.487 3.538 10 0 GHAERN COc1c(Br)cccc1CN[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000187194665 883761238 /nfs/dbraw/zinc/76/12/38/883761238.db2.gz BOOKVNWUOBWIEI-INIZCTEOSA-N 0 0 387.281 3.763 10 0 GHAERN Cc1cccc2c(CCNC(=O)N3CCC(Nc4nccs4)CC3)c[nH]c21 ZINC000187263025 883773149 /nfs/dbraw/zinc/77/31/49/883773149.db2.gz OCRSEKUPGZZQOF-UHFFFAOYSA-N 0 0 383.521 3.761 10 0 GHAERN COc1cnccc1[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000187476138 883793386 /nfs/dbraw/zinc/79/33/86/883793386.db2.gz BFMFKIMELQHFAX-CQSZACIVSA-N 0 0 380.448 3.882 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000187545773 883799316 /nfs/dbraw/zinc/79/93/16/883799316.db2.gz STZFIANTBXYNID-UHFFFAOYSA-N 0 0 396.487 3.599 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000187653170 883805628 /nfs/dbraw/zinc/80/56/28/883805628.db2.gz JRNNLODNSWKFHE-UHFFFAOYSA-N 0 0 395.906 3.803 10 0 GHAERN CCC(CC)[C@H]1C[C@H](NC(=O)N2CCC(Nc3nccs3)CC2)CCO1 ZINC000187776862 883806976 /nfs/dbraw/zinc/80/69/76/883806976.db2.gz RJGFVYHGQNLINT-IAGOWNOFSA-N 0 0 380.558 3.713 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000188078653 883821801 /nfs/dbraw/zinc/82/18/01/883821801.db2.gz HBCMSMJZQJIPSL-QGZVFWFLSA-N 0 0 391.254 3.702 10 0 GHAERN C[C@@](O)(CCNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1)c1ccccc1 ZINC000188350831 883837204 /nfs/dbraw/zinc/83/72/04/883837204.db2.gz NPRLQQKNNJRGFU-HSZRJFAPSA-N 0 0 392.503 3.750 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)CCCc1nc3ccccc3s1)[C@@H]2C ZINC000188732725 883863945 /nfs/dbraw/zinc/86/39/45/883863945.db2.gz QQUHFKIQFLCRFL-CQSZACIVSA-N 0 0 383.521 3.937 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188734148 883865149 /nfs/dbraw/zinc/86/51/49/883865149.db2.gz HXIJCDHMSRUMDE-FVQBIDKESA-N 0 0 394.302 3.844 10 0 GHAERN Cc1nc(CC(C)C)c(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)s1 ZINC000188685920 883870177 /nfs/dbraw/zinc/87/01/77/883870177.db2.gz WHIBLACHBPNROR-HNNXBMFYSA-N 0 0 387.505 3.537 10 0 GHAERN C[C@@H](C1CC1)N(C(=O)C(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1)C1CC1 ZINC000188876340 883890248 /nfs/dbraw/zinc/89/02/48/883890248.db2.gz VUWPQHPBWISYCQ-HNNXBMFYSA-N 0 0 392.503 3.614 10 0 GHAERN O=C(Nc1ccccc1OCC(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189151305 883908475 /nfs/dbraw/zinc/90/84/75/883908475.db2.gz JMQBMBPKZJYBTG-UHFFFAOYSA-N 0 0 382.436 3.895 10 0 GHAERN COC(=O)c1cc(Cl)ccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189224259 883914578 /nfs/dbraw/zinc/91/45/78/883914578.db2.gz LFSRGSKHWGXKIQ-UHFFFAOYSA-N 0 0 394.884 3.692 10 0 GHAERN CCc1ccc([C@@H](COC)NC(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000189272808 883926833 /nfs/dbraw/zinc/92/68/33/883926833.db2.gz KSZAXGOVYIBPER-GOSISDBHSA-N 0 0 384.476 3.808 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189665940 883983352 /nfs/dbraw/zinc/98/33/52/883983352.db2.gz TWJNVBZYJMALII-SFHVURJKSA-N 0 0 377.448 3.919 10 0 GHAERN Cc1cc(N2CCN(C(=O)c3ccc(C4SCCCS4)cc3)CC2)n[nH]1 ZINC000189726877 884002522 /nfs/dbraw/zinc/00/25/22/884002522.db2.gz LFCWCZAEXGBFET-UHFFFAOYSA-N 0 0 388.562 3.549 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)c(Br)c2)C[C@@H]1C ZINC000189739939 884003783 /nfs/dbraw/zinc/00/37/83/884003783.db2.gz MWWFMHDMWQWNMQ-ONGXEEELSA-N 0 0 389.677 3.765 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccnn2-c2cc(C)ccn2)C12CCCC2 ZINC000189818687 884013548 /nfs/dbraw/zinc/01/35/48/884013548.db2.gz AQPKTATYQMSYHT-IRXDYDNUSA-N 0 0 383.496 3.777 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000190011975 884042189 /nfs/dbraw/zinc/04/21/89/884042189.db2.gz ZKGFSUCEDBGTDF-HIFRSBDPSA-N 0 0 381.885 3.502 10 0 GHAERN Cc1ccc([C@@](O)(CC(=O)N2CCC[C@H]2c2csc(C)n2)C(F)(F)F)o1 ZINC000190002990 884042422 /nfs/dbraw/zinc/04/24/22/884042422.db2.gz ZYGYIJLAHIJSIP-BBRMVZONSA-N 0 0 388.411 3.857 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000190025192 884043245 /nfs/dbraw/zinc/04/32/45/884043245.db2.gz BGGBBRCDAHLRJN-VQIMIIECSA-N 0 0 378.432 3.724 10 0 GHAERN COc1ccc2sc(C(=O)N3C[C@H](OC)C[C@H]3c3nc(C)no3)c(C)c2c1 ZINC000190018696 884043864 /nfs/dbraw/zinc/04/38/64/884043864.db2.gz XJAFMPVHPNBJII-HIFRSBDPSA-N 0 0 387.461 3.512 10 0 GHAERN COc1ccccc1-c1nc(C2CCN(C(=O)c3ccc(C=O)cc3)CC2)no1 ZINC000190191066 884050958 /nfs/dbraw/zinc/05/09/58/884050958.db2.gz ZXEKQMYFTKBHFW-UHFFFAOYSA-N 0 0 391.427 3.578 10 0 GHAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)[nH]n1 ZINC000190264587 884061377 /nfs/dbraw/zinc/06/13/77/884061377.db2.gz HPOSVYJQTJGBJO-AWEZNQCLSA-N 0 0 399.445 3.725 10 0 GHAERN O=C(CCc1nc(-c2ccoc2)no1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190277857 884063341 /nfs/dbraw/zinc/06/33/41/884063341.db2.gz WWPOMKUAOGKPNJ-CYBMUJFWSA-N 0 0 387.386 3.947 10 0 GHAERN COc1ccc(CCNC(=O)N2CC3(CCOCC3)c3ccccc32)cc1OC ZINC000190321797 884066767 /nfs/dbraw/zinc/06/67/67/884066767.db2.gz BWMHYTROUQTBNO-UHFFFAOYSA-N 0 0 396.487 3.524 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000190625465 884103591 /nfs/dbraw/zinc/10/35/91/884103591.db2.gz FAOYCOMDPOYZQM-UHFFFAOYSA-N 0 0 375.403 3.731 10 0 GHAERN Cc1csc(C(=O)N2CCC(Cc3nccn3C)CC2)c1Br ZINC000190982539 884135313 /nfs/dbraw/zinc/13/53/13/884135313.db2.gz OQUJZIIZUDUUMB-UHFFFAOYSA-N 0 0 382.327 3.647 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cnn1C1CCOCC1 ZINC000191213525 884163716 /nfs/dbraw/zinc/16/37/16/884163716.db2.gz MXRBGTLHQDEIEW-HNNXBMFYSA-N 0 0 389.446 3.841 10 0 GHAERN NC(=O)CSc1ccccc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207377 884164110 /nfs/dbraw/zinc/16/41/10/884164110.db2.gz BZLNHAJONCZZEB-CYBMUJFWSA-N 0 0 390.455 3.562 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191214405 884164120 /nfs/dbraw/zinc/16/41/20/884164120.db2.gz PETSIPSDMHRIBO-CQSZACIVSA-N 0 0 393.455 3.778 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000191796558 884211218 /nfs/dbraw/zinc/21/12/18/884211218.db2.gz IJTHNROIQLRAEY-KGLIPLIRSA-N 0 0 381.542 3.707 10 0 GHAERN Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(C)C(=O)C1 ZINC000191933069 884221405 /nfs/dbraw/zinc/22/14/05/884221405.db2.gz AVZUMJBGZIRRQM-KRWDZBQOSA-N 0 0 381.476 3.831 10 0 GHAERN O=C(CN1CC2(CCOCC2)c2ccccc21)Nc1ccnn1C1CCCC1 ZINC000192290984 884249006 /nfs/dbraw/zinc/24/90/06/884249006.db2.gz OTWLTZPBRWJKGG-UHFFFAOYSA-N 0 0 380.492 3.505 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3nnn(Cc4ccc(F)cc4)c3C)CC2)n1 ZINC000192492531 884265537 /nfs/dbraw/zinc/26/55/37/884265537.db2.gz KHJIIYPUNAIJHX-UHFFFAOYSA-N 0 0 399.495 3.559 10 0 GHAERN O=C(NCc1ccccc1CN1CCCC1=O)N1CC=C(c2ccccc2)CC1 ZINC000192997276 884318248 /nfs/dbraw/zinc/31/82/48/884318248.db2.gz VZGWFBYICTWQJH-UHFFFAOYSA-N 0 0 389.499 3.808 10 0 GHAERN Cc1ccccc1-c1nc(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cs1 ZINC000193137494 884338606 /nfs/dbraw/zinc/33/86/06/884338606.db2.gz WCFUTZSOJWLTTQ-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN O=[S@](Cc1nc(-c2ccoc2)no1)Cc1ccc(F)c(Br)c1 ZINC000105692275 884833962 /nfs/dbraw/zinc/83/39/62/884833962.db2.gz PRXIPDBYXRRPFO-JOCHJYFZSA-N 0 0 385.214 3.680 10 0 GHAERN CCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000001336412 884938978 /nfs/dbraw/zinc/93/89/78/884938978.db2.gz MNVKURZYLVNXEV-UHFFFAOYSA-N 0 0 380.488 3.927 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c1 ZINC000104328049 885394315 /nfs/dbraw/zinc/39/43/15/885394315.db2.gz VAMJNBRGACESQF-AWEZNQCLSA-N 0 0 381.407 3.842 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179033 885987028 /nfs/dbraw/zinc/98/70/28/885987028.db2.gz LWWWOMOFLPVXOT-OAQYLSRUSA-N 0 0 376.460 3.853 10 0 GHAERN Cc1csc(C2CCN([C@H](C(N)=O)c3ccc(Br)cc3)CC2)n1 ZINC000104680933 886004162 /nfs/dbraw/zinc/00/41/62/886004162.db2.gz AGWWKCINAGGLJX-HNNXBMFYSA-N 0 0 394.338 3.620 10 0 GHAERN COc1ccccc1CC(C)=CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000106769159 886037645 /nfs/dbraw/zinc/03/76/45/886037645.db2.gz LROOLGQDAXAMRU-JLVIMGNISA-N 0 0 376.460 3.516 10 0 GHAERN O=C(Nc1ccccc1N1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000028009020 886086371 /nfs/dbraw/zinc/08/63/71/886086371.db2.gz YRTZVPCIGZYUMW-UHFFFAOYSA-N 0 0 383.517 3.839 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 ZINC000110527770 886202556 /nfs/dbraw/zinc/20/25/56/886202556.db2.gz YJLGRBREMVFQFM-GOSISDBHSA-N 0 0 383.517 3.724 10 0 GHAERN C[C@@H](CC1CC1)NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000112757813 886271950 /nfs/dbraw/zinc/27/19/50/886271950.db2.gz DRAUSYSRHUHRQG-AWEZNQCLSA-N 0 0 383.517 3.554 10 0 GHAERN CC(=O)NC1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CCCCC1 ZINC000113217835 886287089 /nfs/dbraw/zinc/28/70/89/886287089.db2.gz CZKPNYBEFDGYAO-LJQANCHMSA-N 0 0 394.519 3.622 10 0 GHAERN CSCC[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 ZINC000031511898 886295933 /nfs/dbraw/zinc/29/59/33/886295933.db2.gz LVIOYYOLGIWNNG-KSSFIOAISA-N 0 0 394.500 3.599 10 0 GHAERN COCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114810532 886329100 /nfs/dbraw/zinc/32/91/00/886329100.db2.gz WXBUZCBQTPUIQQ-OAHLLOKOSA-N 0 0 375.494 3.888 10 0 GHAERN COc1ccc(CCCN(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116970211 886373993 /nfs/dbraw/zinc/37/39/93/886373993.db2.gz CSQKXPDXVLZKCZ-UHFFFAOYSA-N 0 0 396.535 3.642 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@H](C)N1CCc2sccc2C1 ZINC000105150381 886397605 /nfs/dbraw/zinc/39/76/05/886397605.db2.gz SGFGXZNOSDNTKJ-KRWDZBQOSA-N 0 0 386.565 3.554 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)n1 ZINC000117968196 886398622 /nfs/dbraw/zinc/39/86/22/886398622.db2.gz MQIPXWCRCSZBLS-UHFFFAOYSA-N 0 0 382.533 3.919 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccccc1 ZINC000119019705 886422550 /nfs/dbraw/zinc/42/25/50/886422550.db2.gz XVNSJRHBZHIUNR-OALUTQOASA-N 0 0 398.507 3.530 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccnn3Cc3ccc(F)cc3)CCO2)o1 ZINC000119636691 886471579 /nfs/dbraw/zinc/47/15/79/886471579.db2.gz PRSPRJRPNQKBMA-SFHVURJKSA-N 0 0 384.411 3.577 10 0 GHAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000333008682 886566702 /nfs/dbraw/zinc/56/67/02/886566702.db2.gz MIHUTNWTDPBSBW-DOMZBBRYSA-N 0 0 388.489 3.608 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@@H]2CCc3ccccc3C2)c2ccccc2F)no1 ZINC000124566003 886765958 /nfs/dbraw/zinc/76/59/58/886765958.db2.gz IXHNKPNIVJQOLR-YLJYHZDGSA-N 0 0 394.450 3.805 10 0 GHAERN C[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000042929319 886822737 /nfs/dbraw/zinc/82/27/37/886822737.db2.gz YOVNZNCKUKXSAD-HKUYNNGSSA-N 0 0 377.492 3.640 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126278171 886951378 /nfs/dbraw/zinc/95/13/78/886951378.db2.gz VYXUPSREOSIFMG-SFTDATJTSA-N 0 0 381.520 3.509 10 0 GHAERN C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ncc(-c2ccccc2)o1 ZINC000126308321 886956440 /nfs/dbraw/zinc/95/64/40/886956440.db2.gz JOHIJSUPRZVCPK-INIZCTEOSA-N 0 0 389.455 3.955 10 0 GHAERN O=C(CN1CCC[C@H]1c1nnc2n1CCCCC2)Nc1cccc2c1N=S=N2 ZINC000126803027 887008255 /nfs/dbraw/zinc/00/82/55/887008255.db2.gz NUPVXFXGOMJDLV-HNNXBMFYSA-N 0 0 397.508 3.507 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000045103463 887030748 /nfs/dbraw/zinc/03/07/48/887030748.db2.gz ULWKVBSYADOSCI-ZBFHGGJFSA-N 0 0 397.454 3.527 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CCO2)o1 ZINC000127342389 887053473 /nfs/dbraw/zinc/05/34/73/887053473.db2.gz UOSFPNJNTHHLCL-HXUWFJFHSA-N 0 0 395.459 3.546 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cncc(-c4ccc5c(c4)CCO5)c3)CCO2)o1 ZINC000127352439 887055309 /nfs/dbraw/zinc/05/53/09/887055309.db2.gz RRMKCPZMVBWHKG-JOCHJYFZSA-N 0 0 390.439 3.799 10 0 GHAERN COc1ccc(-c2cncc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)c2)cc1 ZINC000127521587 887072078 /nfs/dbraw/zinc/07/20/78/887072078.db2.gz GDKQLHGGUUGYFQ-NRFANRHFSA-N 0 0 378.428 3.872 10 0 GHAERN COCCc1cc(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)n(C)n1 ZINC000128263963 887164018 /nfs/dbraw/zinc/16/40/18/887164018.db2.gz RDWTUDDIHYDZFP-UHFFFAOYSA-N 0 0 397.454 3.551 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000129195038 887269250 /nfs/dbraw/zinc/26/92/50/887269250.db2.gz KZYCBNKTGUEXQS-OXJNMPFZSA-N 0 0 378.472 3.564 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000047934852 887389516 /nfs/dbraw/zinc/38/95/16/887389516.db2.gz MZUFXTGOUBYZHA-ZDUSSCGKSA-N 0 0 393.413 3.525 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1OC ZINC000131225537 887520200 /nfs/dbraw/zinc/52/02/00/887520200.db2.gz RGFXTVCOZNRAII-HXUWFJFHSA-N 0 0 391.414 3.568 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)c(Cl)c1 ZINC000132272325 887638742 /nfs/dbraw/zinc/63/87/42/887638742.db2.gz VQLRTIQTXAYQDI-UHFFFAOYSA-N 0 0 385.811 3.736 10 0 GHAERN CCS[C@H](C)c1noc(C[S@](=O)Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000132944999 887714535 /nfs/dbraw/zinc/71/45/35/887714535.db2.gz RXIJPDDUJZTFJJ-AFNXNYLOSA-N 0 0 396.469 3.522 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3ncc(-c4ccccc4F)o3)CCO2)o1 ZINC000133924170 887816498 /nfs/dbraw/zinc/81/64/98/887816498.db2.gz DHEXRRIGTISVHV-IBGZPJMESA-N 0 0 384.407 3.915 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(CN3CCCC3=O)c2)C12CCCC2 ZINC000134048956 887830340 /nfs/dbraw/zinc/83/03/40/887830340.db2.gz UYLWYCGWRBTAFI-VQTJNVASSA-N 0 0 384.520 3.619 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000134092056 887834033 /nfs/dbraw/zinc/83/40/33/887834033.db2.gz XMCOIMWRJMAXJC-MSOLQXFVSA-N 0 0 399.539 3.567 10 0 GHAERN CCCc1sc(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1CC ZINC000134311097 887859295 /nfs/dbraw/zinc/85/92/95/887859295.db2.gz YDBMTBRFCYYPLF-QAPCUYQASA-N 0 0 375.538 3.582 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(C)n1C1CCCCC1 ZINC000134349956 887862015 /nfs/dbraw/zinc/86/20/15/887862015.db2.gz IIBSWNQQFCSOHK-GHTZIAJQSA-N 0 0 398.551 3.929 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(C)n1C1CCCCC1 ZINC000134349971 887862486 /nfs/dbraw/zinc/86/24/86/887862486.db2.gz IIBSWNQQFCSOHK-WIYYLYMNSA-N 0 0 398.551 3.929 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134373869 887865921 /nfs/dbraw/zinc/86/59/21/887865921.db2.gz VWAKBRVHIPOGEY-XJKSGUPXSA-N 0 0 387.867 3.714 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000134430745 887873147 /nfs/dbraw/zinc/87/31/47/887873147.db2.gz BMGVJYYFCOITAJ-HSBSLETESA-N 0 0 398.469 3.743 10 0 GHAERN CCOC(=O)c1csc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)n1 ZINC000054582177 888001559 /nfs/dbraw/zinc/00/15/59/888001559.db2.gz AZJBJVSKMRKNQN-UHFFFAOYSA-N 0 0 389.408 3.685 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000135409498 888236591 /nfs/dbraw/zinc/23/65/91/888236591.db2.gz HCEYJFIUHUDIKR-CYBMUJFWSA-N 0 0 388.422 3.548 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3nc(C4CCCC4)no3)C2)c1 ZINC000135572458 888248244 /nfs/dbraw/zinc/24/82/44/888248244.db2.gz PDHHZEWXVOLFBS-INIZCTEOSA-N 0 0 399.491 3.693 10 0 GHAERN CC(C)[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000054518057 888279128 /nfs/dbraw/zinc/27/91/28/888279128.db2.gz AKNOJZZKIIDEQP-MJGOQNOKSA-N 0 0 394.500 3.879 10 0 GHAERN O=C(Nc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1)c1ccco1 ZINC000137006631 888327908 /nfs/dbraw/zinc/32/79/08/888327908.db2.gz XZVSNHSEXCOQJL-GOSISDBHSA-N 0 0 392.415 3.612 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137121094 888334368 /nfs/dbraw/zinc/33/43/68/888334368.db2.gz MNIJYXOAVBEMMV-NRFANRHFSA-N 0 0 390.443 3.741 10 0 GHAERN CNC(=O)c1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)cc1Cl ZINC000055892707 888337346 /nfs/dbraw/zinc/33/73/46/888337346.db2.gz MGVSVSTXQQHSPI-HNNXBMFYSA-N 0 0 377.897 3.537 10 0 GHAERN Cc1cc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1N(C)C ZINC000058125134 888427781 /nfs/dbraw/zinc/42/77/81/888427781.db2.gz KRCVUTDVSJOFDX-UHFFFAOYSA-N 0 0 386.540 3.708 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1ccccc1)C[C@H]1CCCO1 ZINC000193799222 888525152 /nfs/dbraw/zinc/52/51/52/888525152.db2.gz YWPBPIPFRZUGAX-UYAOXDASSA-N 0 0 393.487 3.503 10 0 GHAERN CCn1ncc2ccc(NC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)cc21 ZINC000194763693 888617706 /nfs/dbraw/zinc/61/77/06/888617706.db2.gz DLQQHSJXECXGML-INIZCTEOSA-N 0 0 389.463 3.510 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1)C1CCCCC1 ZINC000194757686 888617744 /nfs/dbraw/zinc/61/77/44/888617744.db2.gz ZBQSJVHYNVMRIW-FCHUYYIVSA-N 0 0 398.547 3.842 10 0 GHAERN CN1CC[C@@H](CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c2ccccc21 ZINC000195312671 888678299 /nfs/dbraw/zinc/67/82/99/888678299.db2.gz FFZBIYSINAWHKJ-GPJFCIFZSA-N 0 0 397.563 3.592 10 0 GHAERN O=C(C[C@@H]1C(=O)Nc2ccccc21)N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000245583122 888996689 /nfs/dbraw/zinc/99/66/89/888996689.db2.gz ICJCDCMRCIEUFF-IXDGSTSKSA-N 0 0 388.826 3.551 10 0 GHAERN C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245662238 889185404 /nfs/dbraw/zinc/18/54/04/889185404.db2.gz GFNJAQSCLBSHGB-IIBYNOLFSA-N 0 0 390.886 3.927 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000245765385 889670755 /nfs/dbraw/zinc/67/07/55/889670755.db2.gz FUNHGIBRGYXHFF-XUVXKRRUSA-N 0 0 388.508 3.707 10 0 GHAERN COc1ccc(S(C)(=O)=O)cc1C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000245902905 889979989 /nfs/dbraw/zinc/97/99/89/889979989.db2.gz UITYITRVPTUIKL-IIDMSEBBSA-N 0 0 387.501 3.505 10 0 GHAERN CC(C)C[C@@H](NC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979381 890123113 /nfs/dbraw/zinc/12/31/13/890123113.db2.gz GORVPKZAWZFVGZ-TZIWHRDSSA-N 0 0 395.551 3.696 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC000246243327 890815768 /nfs/dbraw/zinc/81/57/68/890815768.db2.gz XPHQBCSSXDNYEL-NIKGAXFTSA-N 0 0 384.476 3.590 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1C ZINC000246250961 890841713 /nfs/dbraw/zinc/84/17/13/890841713.db2.gz YHYWXOGVHMJUFV-MISYRCLQSA-N 0 0 388.508 3.627 10 0 GHAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067048362 891141049 /nfs/dbraw/zinc/14/10/49/891141049.db2.gz ZKVBOMJPBPJSHQ-SJLPKXTDSA-N 0 0 386.517 3.838 10 0 GHAERN CC[C@H](NC(=O)N1CCC(NC(=O)c2ccoc2C)CC1)c1cccs1 ZINC000067406524 891150754 /nfs/dbraw/zinc/15/07/54/891150754.db2.gz QAYBXGMUQFTNJF-INIZCTEOSA-N 0 0 375.494 3.705 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccncc1 ZINC000067589995 891158044 /nfs/dbraw/zinc/15/80/44/891158044.db2.gz AKZSZQLMAAHYTJ-GUYCJALGSA-N 0 0 390.281 3.688 10 0 GHAERN Cn1c(=S)[nH]nc1C1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000068428568 891178668 /nfs/dbraw/zinc/17/86/68/891178668.db2.gz ZDXVXGCLDHZIGF-KBPBESRZSA-N 0 0 376.913 3.641 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2)CCO1 ZINC000246726660 891301761 /nfs/dbraw/zinc/30/17/61/891301761.db2.gz MNSYMHWCPBAVHO-YLJYHZDGSA-N 0 0 380.492 3.630 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c1 ZINC000247310282 891365589 /nfs/dbraw/zinc/36/55/89/891365589.db2.gz VXLPGTIFJDJJAH-DENIHFKCSA-N 0 0 393.531 3.688 10 0 GHAERN Brc1ccc(-c2c[nH]c(CN3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000247303789 891365687 /nfs/dbraw/zinc/36/56/87/891365687.db2.gz ZVIZSSJWKQDCRX-HZPDHXFCSA-N 0 0 394.338 3.546 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@@H]21)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000247431996 891376006 /nfs/dbraw/zinc/37/60/06/891376006.db2.gz NUMFIHHXUUAXGJ-ZRNYENFQSA-N 0 0 392.927 3.753 10 0 GHAERN O=C(c1ccccc1)N1[C@H](c2nc(-c3cnccn3)no2)C[C@H]2CCCC[C@@H]21 ZINC000248662799 891454599 /nfs/dbraw/zinc/45/45/99/891454599.db2.gz HINSDHWBXVSIDD-NJAFHUGGSA-N 0 0 375.432 3.673 10 0 GHAERN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)[C@H]1c1ccccc1 ZINC000249051600 891491105 /nfs/dbraw/zinc/49/11/05/891491105.db2.gz OGNJXDMCFNNBNN-PZJWPPBQSA-N 0 0 378.476 3.528 10 0 GHAERN CN1CC[C@H](NC(=O)Cc2cnc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249138692 891498547 /nfs/dbraw/zinc/49/85/47/891498547.db2.gz PFMMLBPRQYZAFE-RBBKRZOGSA-N 0 0 381.426 3.617 10 0 GHAERN O=C(N[C@@H]1CCC[C@H]1CCO)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000251703875 891639750 /nfs/dbraw/zinc/63/97/50/891639750.db2.gz JKWPXWSGMLINGQ-GBESFXJTSA-N 0 0 382.508 3.517 10 0 GHAERN Cc1ccc(C(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)c(=O)[nH]1 ZINC000253558339 891881688 /nfs/dbraw/zinc/88/16/88/891881688.db2.gz DUZASYDVZNEKAH-ROUUACIJSA-N 0 0 391.874 3.842 10 0 GHAERN CC(C)(C)N1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558988 891882060 /nfs/dbraw/zinc/88/20/60/891882060.db2.gz TUCGVJRRFQWRKF-SJLPKXTDSA-N 0 0 391.874 3.924 10 0 GHAERN CC(C)(C)c1ccc(N2CCC(NC(=O)[C@@H]3CCCn4ccnc43)CC2)cc1 ZINC000081599489 894732743 /nfs/dbraw/zinc/73/27/43/894732743.db2.gz RCBUYPDPCCQJJL-HXUWFJFHSA-N 0 0 380.536 3.843 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000105194741 898200941 /nfs/dbraw/zinc/20/09/41/898200941.db2.gz MJYTXKHNKSMSQM-SFHVURJKSA-N 0 0 394.519 3.934 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000105228657 898202698 /nfs/dbraw/zinc/20/26/98/898202698.db2.gz XGHSQMHDRZZFLV-LJQANCHMSA-N 0 0 396.535 3.581 10 0 GHAERN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N2CC3(CC3)C2)c1C ZINC000333492229 902133463 /nfs/dbraw/zinc/13/34/63/902133463.db2.gz JCRIZCKAOMDILP-UHFFFAOYSA-N 0 0 375.270 3.879 10 0 GHAERN Cc1onc(-c2ccccc2)c1-c1nnc(CN2NC(=O)CC23CCCCC3)o1 ZINC000333877901 902391685 /nfs/dbraw/zinc/39/16/85/902391685.db2.gz QWJKNCUPYISGAS-UHFFFAOYSA-N 0 0 393.447 3.640 10 0 GHAERN Cn1ncc2c1CCCN(C(=O)N[C@H]1CC3(CCCC3)Oc3ccccc31)C2 ZINC000334041236 902522097 /nfs/dbraw/zinc/52/20/97/902522097.db2.gz OLVKLKHFLMLHRO-SFHVURJKSA-N 0 0 380.492 3.715 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000334095249 902547392 /nfs/dbraw/zinc/54/73/92/902547392.db2.gz RDDKZUKAVAQEJJ-GUDVDZBRSA-N 0 0 390.549 3.669 10 0 GHAERN CCOc1ccc(-c2nc(CC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cs2)cc1 ZINC000181166032 906930019 /nfs/dbraw/zinc/93/00/19/906930019.db2.gz BRJNHDLCLPHXKS-QGZVFWFLSA-N 0 0 397.504 3.623 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183084801 907325796 /nfs/dbraw/zinc/32/57/96/907325796.db2.gz ODYDRCATFZTJLN-LLVKDONJSA-N 0 0 386.200 3.605 10 0 GHAERN CC1CCN(c2ccc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)cc2)CC1 ZINC000103738051 907713208 /nfs/dbraw/zinc/71/32/08/907713208.db2.gz HBJLMRCYLAYJKS-UHFFFAOYSA-N 0 0 396.882 3.804 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(N3CCCC3=O)c2)cs1 ZINC000186192783 907888248 /nfs/dbraw/zinc/88/82/48/907888248.db2.gz MRSBDLMMZXUNQS-SFHVURJKSA-N 0 0 384.505 3.625 10 0 GHAERN COc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)nc1Br ZINC000187111043 908038685 /nfs/dbraw/zinc/03/86/85/908038685.db2.gz KEEUENWNKCWMPE-LBPRGKRZSA-N 0 0 382.283 3.595 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCC(=O)c2ccc(CC(C)C)cc2)C1 ZINC000189092113 908282908 /nfs/dbraw/zinc/28/29/08/908282908.db2.gz SIIUTOJRKAOGTN-RBUKOAKNSA-N 0 0 399.491 3.528 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@H](C)c3ccc(F)cc3Cl)CCO2)cn1 ZINC000189097661 908284173 /nfs/dbraw/zinc/28/41/73/908284173.db2.gz RXXRMPUCGXHBGT-SJKOYZFVSA-N 0 0 380.851 3.540 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000189124854 908286203 /nfs/dbraw/zinc/28/62/03/908286203.db2.gz ZJMIDLJKHNLQHG-SWLSCSKDSA-N 0 0 387.823 3.894 10 0 GHAERN CSc1c(F)cc(NC(=O)C(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000189437161 908322560 /nfs/dbraw/zinc/32/25/60/908322560.db2.gz MDGQPHBBJFCQKR-AWEZNQCLSA-N 0 0 397.472 3.754 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc3nc(C4CC4)oc3c2)cs1 ZINC000189460190 908327181 /nfs/dbraw/zinc/32/71/81/908327181.db2.gz OLHVMBIQQLBQBV-INIZCTEOSA-N 0 0 396.472 3.772 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccccc2Br)cs1 ZINC000189828784 908379726 /nfs/dbraw/zinc/37/97/26/908379726.db2.gz SKMAQFCMLOWHTK-HNNXBMFYSA-N 0 0 380.311 3.990 10 0 GHAERN Cc1nc([C@@H]2CCCN2Cc2ccccc2OCC(=O)NCC2CC2)cs1 ZINC000189920236 908389193 /nfs/dbraw/zinc/38/91/93/908389193.db2.gz BWNMLVGDQCSFCY-IBGZPJMESA-N 0 0 385.533 3.694 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000190050656 908412886 /nfs/dbraw/zinc/41/28/86/908412886.db2.gz ZRBULVNGXBTXGM-RTBURBONSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCOc2cccc3ccccc32)C1 ZINC000190056466 908414901 /nfs/dbraw/zinc/41/49/01/908414901.db2.gz ZQFURXDLWYUTIY-IEBWSBKVSA-N 0 0 395.459 3.679 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190067460 908417627 /nfs/dbraw/zinc/41/76/27/908417627.db2.gz JVGLBCSMOUIEFQ-TZMCWYRMSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000190112984 908428336 /nfs/dbraw/zinc/42/83/36/908428336.db2.gz LACGHYKWIYOURU-JQWIXIFHSA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000190120814 908431275 /nfs/dbraw/zinc/43/12/75/908431275.db2.gz CURDTUUCHBQTIM-NVXWUHKLSA-N 0 0 386.452 3.693 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3C[C@@H](OC)C[C@H]3c3nc(C)no3)cc21 ZINC000190130666 908434298 /nfs/dbraw/zinc/43/42/98/908434298.db2.gz QFEIPXKCNRXDIQ-WMZOPIPTSA-N 0 0 383.452 3.737 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000190133137 908435226 /nfs/dbraw/zinc/43/52/26/908435226.db2.gz SHBVPSQDHAFQEP-GJZGRUSLSA-N 0 0 398.385 3.867 10 0 GHAERN CCCCOc1ccc(CN2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1OC ZINC000190162266 908442933 /nfs/dbraw/zinc/44/29/33/908442933.db2.gz SUQRCCGLYLUFTB-DLBZAZTESA-N 0 0 375.469 3.528 10 0 GHAERN CC[C@H](Cc1cccc(Br)c1)C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000192570678 908800238 /nfs/dbraw/zinc/80/02/38/908800238.db2.gz KEJIUIQSDIUBPP-ZBFHGGJFSA-N 0 0 391.313 3.890 10 0 GHAERN Cc1ccc(NC(=S)N(CCN2CCOCC2)C[C@@H]2CC=CCC2)cc1C ZINC000017079165 210202647 /nfs/dbraw/zinc/20/26/47/210202647.db2.gz GPRZAYCDCKKGCL-HXUWFJFHSA-N 0 0 387.593 3.991 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1cccs1 ZINC000015920806 210179620 /nfs/dbraw/zinc/17/96/20/210179620.db2.gz WUOHHKOXUNKVIK-LJQANCHMSA-N 0 0 383.473 3.729 10 0 GHAERN Cc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)s1 ZINC000015779227 210169750 /nfs/dbraw/zinc/16/97/50/210169750.db2.gz CJEAXDHMMFBHMV-UHFFFAOYSA-N 0 0 394.500 3.920 10 0 GHAERN O=C(Nc1nnc(Cc2ccccc2F)s1)C(=O)c1c[nH]c2ccccc21 ZINC000015673750 210162283 /nfs/dbraw/zinc/16/22/83/210162283.db2.gz HBOCCJZEIZESJM-UHFFFAOYSA-N 0 0 380.404 3.571 10 0 GHAERN COCC(=O)Nc1cccc(-c2nc(CNC(=O)C3C(C)(C)C3(C)C)c(C)o2)c1 ZINC000014887012 210129209 /nfs/dbraw/zinc/12/92/09/210129209.db2.gz OIBQLJNLDOBIEC-UHFFFAOYSA-N 0 0 399.491 3.533 10 0 GHAERN Cc1c2cc(CNC(=O)CCN3CCCC3=O)ccc2[nH]c1-c1ccc(F)cc1 ZINC000012717556 209997634 /nfs/dbraw/zinc/99/76/34/209997634.db2.gz VGTSROIFGQDCTF-UHFFFAOYSA-N 0 0 393.462 3.911 10 0 GHAERN COc1ccc(Cn2c3nnc(-c4cccs4)n3c3ccccc3c2=O)cc1 ZINC000006781228 209684149 /nfs/dbraw/zinc/68/41/49/209684149.db2.gz NYZWBXUOABGJHQ-UHFFFAOYSA-N 0 0 388.452 3.830 10 0 GHAERN COC(=O)Nc1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000626971 209251718 /nfs/dbraw/zinc/25/17/18/209251718.db2.gz QOMKTNIXPSSOOF-UHFFFAOYSA-N 0 0 388.851 3.642 10 0 GHAERN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H]1C ZINC000100334190 209244594 /nfs/dbraw/zinc/24/45/94/209244594.db2.gz NPGXSXQWVRRLAU-CYBMUJFWSA-N 0 0 375.490 3.672 10 0 GHAERN CCO[C@H](Cc1ccccc1)N1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000022859892 209238355 /nfs/dbraw/zinc/23/83/55/209238355.db2.gz DWMKWCBEXVXFQQ-XMMPIXPASA-N 0 0 380.532 3.791 10 0 GHAERN COc1ccc2c(c1)c(CCNC(=O)c1ccccc1Br)cn2C ZINC000090548286 209237075 /nfs/dbraw/zinc/23/70/75/209237075.db2.gz OBHJJVOCEQCJTA-UHFFFAOYSA-N 0 0 387.277 3.922 10 0 GHAERN CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@@H](N2Cc3ccccc3C2=O)[C@@H]1O ZINC000003791287 209229552 /nfs/dbraw/zinc/22/95/52/209229552.db2.gz ZORATYFUTXFLJS-SJORKVTESA-N 0 0 393.361 3.814 10 0 GHAERN NC(=O)Cn1c(Cn2c(Cc3ccccc3)nc3ccccc32)nc2ccccc21 ZINC000044787302 209195073 /nfs/dbraw/zinc/19/50/73/209195073.db2.gz HVCFTBQDTSXTAK-UHFFFAOYSA-N 0 0 395.466 3.510 10 0 GHAERN O=C(CN1c2ncccc2N=C(c2cccc(Cl)c2)CC1=O)NC1CCCC1 ZINC000101880862 211406660 /nfs/dbraw/zinc/40/66/60/211406660.db2.gz BWFTTZXGFAZFFU-UHFFFAOYSA-N 0 0 396.878 3.651 10 0 GHAERN O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000097020059 211355533 /nfs/dbraw/zinc/35/55/33/211355533.db2.gz IWRBAAIKRFVOSE-PBWFPOADSA-N 0 0 397.862 3.931 10 0 GHAERN O=C(OCc1ccccc1)N1CCCC[C@H]1Cn1c(CO)nc2ccccc21 ZINC000095078387 211218718 /nfs/dbraw/zinc/21/87/18/211218718.db2.gz PBUFXRPMKPYHAA-SFHVURJKSA-N 0 0 379.460 3.720 10 0 GHAERN O=c1c(-c2cnc3ncncc3c2)c(C2CC2)ccn1N1CCc2ccccc21 ZINC000089209963 211179138 /nfs/dbraw/zinc/17/91/38/211179138.db2.gz AGSBPJNPQVTKPK-UHFFFAOYSA-N 0 0 381.439 3.557 10 0 GHAERN O=C(c1ccsc1)N1CCC(COc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000065179853 210972468 /nfs/dbraw/zinc/97/24/68/210972468.db2.gz ZWBLQKZUJWIRIX-UHFFFAOYSA-N 0 0 398.528 3.915 10 0 GHAERN CC1CCN(C(=O)c2ccc(OC[C@@H]3CCCN(C(=O)C4CCC4)C3)cc2)CC1 ZINC000065178946 210972634 /nfs/dbraw/zinc/97/26/34/210972634.db2.gz SCVMBCAHXIFQPT-LJQANCHMSA-N 0 0 398.547 3.976 10 0 GHAERN COc1ccc([C@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C(=O)N2CCCCC2)cc1 ZINC000036041828 210706479 /nfs/dbraw/zinc/70/64/79/210706479.db2.gz PPVMHSVCPCAESM-UXHICEINSA-N 0 0 386.536 3.686 10 0 GHAERN CCCOC(=O)c1ccc(NC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000033436800 210648481 /nfs/dbraw/zinc/64/84/81/210648481.db2.gz OLWNLUMLBNAJKT-WDZFZDKYSA-N 0 0 399.443 3.931 10 0 GHAERN CC(C)NC(=O)c1ccc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)s1 ZINC000020449082 210336113 /nfs/dbraw/zinc/33/61/13/210336113.db2.gz VCRJVAGPJUSJJE-CQSZACIVSA-N 0 0 387.505 3.730 10 0 GHAERN CSc1ccccc1OCc1cc(C(=O)NCc2ccc3c(c2)OCO3)no1 ZINC000019836925 210301235 /nfs/dbraw/zinc/30/12/35/210301235.db2.gz KYQUPNYDOGNRNQ-UHFFFAOYSA-N 0 0 398.440 3.634 10 0 GHAERN C[C@@H](C(=O)OC(C)(C)Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000504746116 533359173 /nfs/dbraw/zinc/35/91/73/533359173.db2.gz VDEDTMYMRNHWAV-ZDUSSCGKSA-N 0 0 385.847 3.889 10 0 GHAERN Cc1noc2nc(CCC(=O)N[C@@H](C)c3ccccc3)nc(N3CCCCC3)c12 ZINC000065056315 136158934 /nfs/dbraw/zinc/15/89/34/136158934.db2.gz VRPVVAYFKIVZBQ-HNNXBMFYSA-N 0 0 393.491 3.727 10 0 GHAERN CCc1cc(N2CCC3(CC(=O)N(Cc4ccc(Cl)cc4)C3)CC2)ncn1 ZINC000077378620 136172125 /nfs/dbraw/zinc/17/21/25/136172125.db2.gz MTDNJBZVNOVGID-UHFFFAOYSA-N 0 0 384.911 3.712 10 0 GHAERN CC(C)CCC[C@@H](C)NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000094993066 222329516 /nfs/dbraw/zinc/32/95/16/222329516.db2.gz SFCNLHFNSUGWFK-LMDPOFIKSA-N 0 0 398.551 3.929 10 0 GHAERN CCN1c2ccc(NC(=O)c3ccnn3C)cc2Sc2ccccc2C1=O ZINC000035511117 570388368 /nfs/dbraw/zinc/38/83/68/570388368.db2.gz FVDIMULKGRYWPU-UHFFFAOYSA-N 0 0 378.457 3.804 10 0 GHAERN Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCc1ccc(C)cc1 ZINC000005058143 570408115 /nfs/dbraw/zinc/40/81/15/570408115.db2.gz NNEUPUVAEKMORR-MUUNZHRXSA-N 0 0 396.512 3.832 10 0 GHAERN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000005919939 570461439 /nfs/dbraw/zinc/46/14/39/570461439.db2.gz BFWXVVPJWJZVTH-KBAYOESNSA-N 0 0 377.440 3.760 10 0 GHAERN COc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCC[C@H]1C ZINC000064759228 570536013 /nfs/dbraw/zinc/53/60/13/570536013.db2.gz GVBBMYBNJZPPDI-MRXNPFEDSA-N 0 0 393.491 3.608 10 0 GHAERN COc1cccc(N2C(=O)CN(C(=O)c3ccc(-c4ccco4)cc3)C[C@H]2C)c1 ZINC000012452184 570668271 /nfs/dbraw/zinc/66/82/71/570668271.db2.gz QYETXVQUVPFUAP-MRXNPFEDSA-N 0 0 390.439 3.833 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)NC4CC4)cc3)C2)s1 ZINC000065179317 570721500 /nfs/dbraw/zinc/72/15/00/570721500.db2.gz GIMVEDWMYVCDIT-INIZCTEOSA-N 0 0 398.528 3.880 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1ccc(C(F)(F)F)cc1)C2)c1cccs1 ZINC000097096234 570891797 /nfs/dbraw/zinc/89/17/97/570891797.db2.gz VENUWMWSDSAFSV-BYCMXARLSA-N 0 0 394.418 3.800 10 0 GHAERN CCC[C@@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000006381038 570937743 /nfs/dbraw/zinc/93/77/43/570937743.db2.gz QVXVUACNNIWBIU-YNEHKIRRSA-N 0 0 388.460 3.969 10 0 biogenic GHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000286204447 834343921 /nfs/dbraw/zinc/34/39/21/834343921.db2.gz JJAYGVCGFCXEMC-XUVXKRRUSA-N 0 0 379.456 3.896 10 0 GHAERN O=C(c1cc(Br)cc(Br)c1)N1CCC[C@]12CCOC2 ZINC000367655529 834515930 /nfs/dbraw/zinc/51/59/30/834515930.db2.gz ZHOLNLZCSZTHEZ-CQSZACIVSA-N 0 0 389.087 3.607 10 0 GHAERN Cc1ccc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc2n1 ZINC000157066291 834734458 /nfs/dbraw/zinc/73/44/58/834734458.db2.gz SUFPLENEPMYKAS-UHFFFAOYSA-N 0 0 379.504 3.798 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)n1 ZINC000329315379 834827778 /nfs/dbraw/zinc/82/77/78/834827778.db2.gz DSOMQWSTUPIGLG-ZDUSSCGKSA-N 0 0 389.862 3.721 10 0 GHAERN CCCOc1nc2ccccc2cc1C=CC(=O)NCc1nc2cccnc2[nH]1 ZINC000588614021 834910362 /nfs/dbraw/zinc/91/03/62/834910362.db2.gz SDRGHIQLAZOVFZ-KTKRTIGZSA-N 0 0 387.443 3.625 10 0 GHAERN Brc1ccc(Cc2nc(CN3CCO[C@H]4CCCC[C@@H]43)no2)cc1 ZINC000111684077 834979241 /nfs/dbraw/zinc/97/92/41/834979241.db2.gz UUQLLWYUUJBLHU-HOTGVXAUSA-N 0 0 392.297 3.566 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3cc(Cl)c(C)c(Cl)c3)CCO2)c1 ZINC000112126215 835051407 /nfs/dbraw/zinc/05/14/07/835051407.db2.gz KVADGJPGFBPOOZ-AWEZNQCLSA-N 0 0 383.279 3.740 10 0 GHAERN CCCn1cc(CN2CCCN(C(=O)Nc3ccc4c(c3)CCC4)CC2)cn1 ZINC000121900637 835143251 /nfs/dbraw/zinc/14/32/51/835143251.db2.gz SOMVKRWZORGOSS-UHFFFAOYSA-N 0 0 381.524 3.522 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3occc3COc3ccccc3)CC2)nc1 ZINC000157936684 835161951 /nfs/dbraw/zinc/16/19/51/835161951.db2.gz COHJHLLDLOVFRB-UHFFFAOYSA-N 0 0 391.471 3.961 10 0 GHAERN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccccc2O1 ZINC000121932925 835171431 /nfs/dbraw/zinc/17/14/31/835171431.db2.gz IBYSOCBEMYHXKQ-CVEARBPZSA-N 0 0 384.501 3.771 10 0 GHAERN CCc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1F ZINC000159165192 835750104 /nfs/dbraw/zinc/75/01/04/835750104.db2.gz MGWCHEGKWCTKHR-UHFFFAOYSA-N 0 0 375.469 3.830 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Cc2csc(-c3cccs3)n2)c2ccccc2)[nH]1 ZINC000103281893 837294565 /nfs/dbraw/zinc/29/45/65/837294565.db2.gz NIFPRVJBMJTTOF-KRWDZBQOSA-N 0 0 395.513 3.746 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)c2)n[nH]1 ZINC000103292706 837297288 /nfs/dbraw/zinc/29/72/88/837297288.db2.gz VTOWYGSZGKOBFL-QGZVFWFLSA-N 0 0 391.431 3.878 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000408025743 838686380 /nfs/dbraw/zinc/68/63/80/838686380.db2.gz TXKXRGGOHPZKIC-UHFFFAOYSA-N 0 0 383.536 3.802 10 0 GHAERN O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cnc(Cl)c(Cl)c1 ZINC000010027547 838841925 /nfs/dbraw/zinc/84/19/25/838841925.db2.gz SCJORPHPDIEGBN-UHFFFAOYSA-N 0 0 393.274 3.815 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330192976 838900641 /nfs/dbraw/zinc/90/06/41/838900641.db2.gz AEBGAOLQYAGXQF-KPZWWZAWSA-N 0 0 394.928 3.961 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)NCC3(c4c(F)cccc4F)CCCC3)C2)cn1 ZINC000116540891 839297077 /nfs/dbraw/zinc/29/70/77/839297077.db2.gz VJNJNVLZMWPZEM-OAHLLOKOSA-N 0 0 388.462 3.709 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC(C)(C)c3ccc(C)cc3)C2)n1 ZINC000117045199 839539177 /nfs/dbraw/zinc/53/91/77/839539177.db2.gz WBUFFKWMHZRTOT-IBGZPJMESA-N 0 0 383.540 3.603 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1=O ZINC000118271670 839921181 /nfs/dbraw/zinc/92/11/81/839921181.db2.gz YOCDCBCVIXXYHO-LYSIVYOWSA-N 0 0 386.536 3.554 10 0 GHAERN C[C@H](NC(=O)Cc1ccc(OC(F)F)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000109552743 840418940 /nfs/dbraw/zinc/41/89/40/840418940.db2.gz RZGWTPLFKCTLRK-NSHDSACASA-N 0 0 391.349 3.897 10 0 GHAERN Cc1nc(CSc2ccc(C(=O)N3CCC(n4cncn4)CC3)cc2)cs1 ZINC000109701736 840539284 /nfs/dbraw/zinc/53/92/84/840539284.db2.gz NMNZUELWOORNLF-UHFFFAOYSA-N 0 0 399.545 3.813 10 0 GHAERN CCc1noc([C@@H](C)N2CCN(Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000106136931 840658992 /nfs/dbraw/zinc/65/89/92/840658992.db2.gz LNOCFFJELFPAKL-CQSZACIVSA-N 0 0 375.542 3.625 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000106207842 840760518 /nfs/dbraw/zinc/76/05/18/840760518.db2.gz CEESOQIAXRNEJE-MRXNPFEDSA-N 0 0 383.521 3.731 10 0 GHAERN C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333302899 844576002 /nfs/dbraw/zinc/57/60/02/844576002.db2.gz CHXCBDIAMKHHIL-FIBVWIARSA-N 0 0 387.545 3.911 10 0 GHAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408128020 841070564 /nfs/dbraw/zinc/07/05/64/841070564.db2.gz HHWUOQDDTYCPSZ-DJIMGWMZSA-N 0 0 399.304 3.813 10 0 GHAERN CCc1nc(CNC(=O)/C=C\c2cc(Br)c(O)c(OC)c2)cs1 ZINC000588416750 841587898 /nfs/dbraw/zinc/58/78/98/841587898.db2.gz VFHNUVBCLMEZOY-PLNGDYQASA-N 0 0 397.294 3.512 10 0 GHAERN Cc1cc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)nn1-c1ccccc1Cl ZINC000329260548 861216697 /nfs/dbraw/zinc/21/66/97/861216697.db2.gz DSQSBLWIKKBEEG-KMFMINBZSA-N 0 0 384.867 3.934 10 0 GHAERN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408182368 841903681 /nfs/dbraw/zinc/90/36/81/841903681.db2.gz JMBTYSVNMALQBN-MDNKFWRPSA-N 0 0 391.943 3.644 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000408277040 842011104 /nfs/dbraw/zinc/01/11/04/842011104.db2.gz MXRPVEBEOHQCOM-SFHVURJKSA-N 0 0 387.434 3.589 10 0 GHAERN O=C(C=Cc1ccc2ccc(Cl)cc2n1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000588427958 842205918 /nfs/dbraw/zinc/20/59/18/842205918.db2.gz PZQKLMLWLYAIJD-VURMDHGXSA-N 0 0 378.819 3.800 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)CC2)n1 ZINC000153203146 842274290 /nfs/dbraw/zinc/27/42/90/842274290.db2.gz NZCMKDRWNFWBPC-KBXCAEBGSA-N 0 0 385.537 3.707 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CC2)n1 ZINC000153203264 842274313 /nfs/dbraw/zinc/27/43/13/842274313.db2.gz NZCMKDRWNFWBPC-KSSFIOAISA-N 0 0 385.537 3.707 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)C3C[C@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000094017211 842416254 /nfs/dbraw/zinc/41/62/54/842416254.db2.gz KTNFTNZEJFNOBZ-GJZGRUSLSA-N 0 0 393.915 3.528 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1csc([C@H]3CCCO3)n1)CCCC2 ZINC000279202599 842704171 /nfs/dbraw/zinc/70/41/71/842704171.db2.gz MVZDENXTXIYNFL-IAGOWNOFSA-N 0 0 386.521 3.584 10 0 GHAERN CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)n1 ZINC000279268485 842778848 /nfs/dbraw/zinc/77/88/48/842778848.db2.gz VXRHMKKBTVNOFE-MRXNPFEDSA-N 0 0 387.915 3.843 10 0 GHAERN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000328945197 843059832 /nfs/dbraw/zinc/05/98/32/843059832.db2.gz JNCDLAUGTOFGTR-WMZOPIPTSA-N 0 0 383.492 3.678 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cc(Cl)c(C)cc2Br)C1 ZINC000122704465 843216607 /nfs/dbraw/zinc/21/66/07/843216607.db2.gz MOOUDUDUUBKNSF-NSHDSACASA-N 0 0 388.693 3.543 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)CC1=O ZINC000328979669 843286069 /nfs/dbraw/zinc/28/60/69/843286069.db2.gz CXZCJMKYXQLJBG-NYKUHLLHSA-N 0 0 398.547 3.528 10 0 GHAERN Cc1cc(NC(=O)N2CC=C(c3ccccc3)CC2)ccc1N1C(=O)CCC1=O ZINC000112738520 843415070 /nfs/dbraw/zinc/41/50/70/843415070.db2.gz BZNLONODHGXZIB-UHFFFAOYSA-N 0 0 389.455 3.970 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1Cl ZINC000330295825 843560211 /nfs/dbraw/zinc/56/02/11/843560211.db2.gz FWJGPCLVZYPZGE-BBRMVZONSA-N 0 0 376.913 3.722 10 0 GHAERN O=C(NC1CC(c2cccc(Cl)c2)C1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000408254704 843617644 /nfs/dbraw/zinc/61/76/44/843617644.db2.gz OEYOBOBKXCURSY-MUYFXNHWSA-N 0 0 389.927 3.630 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H]4CCC[C@@H]43)cc2)cc1 ZINC000330336547 843727410 /nfs/dbraw/zinc/72/74/10/843727410.db2.gz ZNTOZOVWABZHFD-UZLBHIALSA-N 0 0 384.501 3.810 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333041441 843880362 /nfs/dbraw/zinc/88/03/62/843880362.db2.gz ALYVRETXZVWQIW-DMHIMHRUSA-N 0 0 376.522 3.615 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c(Br)s1 ZINC000408471582 844917170 /nfs/dbraw/zinc/91/71/70/844917170.db2.gz YYURPLNVUSYZRU-NSHDSACASA-N 0 0 383.315 3.542 10 0 GHAERN Cc1cnn(Cc2ccccc2F)c1NC(=O)/C=C\c1cnc2ccccc2n1 ZINC000588486766 845114307 /nfs/dbraw/zinc/11/43/07/845114307.db2.gz DRSXEWLEXVUAFT-KHPPLWFESA-N 0 0 387.418 3.974 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)o1 ZINC000408446684 845495351 /nfs/dbraw/zinc/49/53/51/845495351.db2.gz OXBOSFAXUPLBST-MSOLQXFVSA-N 0 0 385.512 3.617 10 0 GHAERN CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000151971764 846073174 /nfs/dbraw/zinc/07/31/74/846073174.db2.gz KLKBPWNHJBRMIJ-MSOLQXFVSA-N 0 0 376.570 3.674 10 0 GHAERN CC(C)c1ccc(Cn2nccc2NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000157884197 846236594 /nfs/dbraw/zinc/23/65/94/846236594.db2.gz ZUSBWDKWINZTHM-SFHVURJKSA-N 0 0 393.495 3.932 10 0 GHAERN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000152114911 846257843 /nfs/dbraw/zinc/25/78/43/846257843.db2.gz PRVBVPNBGNSWSS-AWEZNQCLSA-N 0 0 393.505 3.613 10 0 GHAERN C[C@@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000152171853 846327501 /nfs/dbraw/zinc/32/75/01/846327501.db2.gz SYWPQMISZFXSNR-IIBYNOLFSA-N 0 0 396.462 3.550 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)C2)cc1 ZINC000152278300 846525751 /nfs/dbraw/zinc/52/57/51/846525751.db2.gz AKXJQEROWDLOSJ-APWZRJJASA-N 0 0 395.503 3.736 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)C2)cc1 ZINC000152278560 846526082 /nfs/dbraw/zinc/52/60/82/846526082.db2.gz AKXJQEROWDLOSJ-QFBILLFUSA-N 0 0 395.503 3.736 10 0 GHAERN C[C@@]12CN(C(=O)c3ncoc3-c3ccc4c(c3)OCCO4)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333547294 846575630 /nfs/dbraw/zinc/57/56/30/846575630.db2.gz TWVRPFPQLWLDSK-LYCUHBICSA-N 0 0 380.444 3.621 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000333555110 846790451 /nfs/dbraw/zinc/79/04/51/846790451.db2.gz GGCVHXNGEBEFTA-OAGGEKHMSA-N 0 0 396.578 3.712 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(=O)[nH]c4cc(F)ccc43)C2)cc1 ZINC000152654525 847478143 /nfs/dbraw/zinc/47/81/43/847478143.db2.gz LIIFRRJJDKGGHD-ZFWWWQNUSA-N 0 0 380.419 3.694 10 0 GHAERN COc1ccc(Br)cc1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000152718786 847662733 /nfs/dbraw/zinc/66/27/33/847662733.db2.gz NIAOBIQXESVANX-UHFFFAOYSA-N 0 0 379.258 3.592 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000588537280 847857359 /nfs/dbraw/zinc/85/73/59/847857359.db2.gz NRKGMSWTUCHOFY-SREVYHEPSA-N 0 0 396.447 3.634 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3cn(C)c4ccccc34)CC2)nc1 ZINC000152967025 847972782 /nfs/dbraw/zinc/97/27/82/847972782.db2.gz YUBPGGTUKLSFOG-UHFFFAOYSA-N 0 0 376.504 3.600 10 0 GHAERN CCN(CCc1ccccc1)C(=O)C1(c2ccccc2)CCN(C(C)=O)CC1 ZINC000075433847 848180049 /nfs/dbraw/zinc/18/00/49/848180049.db2.gz MDGPFDGCYHFUTH-UHFFFAOYSA-N 0 0 378.516 3.658 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(C)c3C(=O)N3CCCC3)CCO2)o1 ZINC000153432019 848489608 /nfs/dbraw/zinc/48/96/08/848489608.db2.gz LCJMHHFUOIFWAS-LJQANCHMSA-N 0 0 397.475 3.738 10 0 GHAERN COc1cccc(/C(C)=C\C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000588562731 848833016 /nfs/dbraw/zinc/83/30/16/848833016.db2.gz GMNBVRUDHIOKRA-QKXCFHHRSA-N 0 0 384.442 3.878 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCN(c2cncc3ccccc32)CC1 ZINC000588563422 848844637 /nfs/dbraw/zinc/84/46/37/848844637.db2.gz VUSVPGMSYKFBQU-KTKRTIGZSA-N 0 0 395.466 3.540 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1ccc(F)cc1 ZINC000333770138 851104783 /nfs/dbraw/zinc/10/47/83/851104783.db2.gz RJHVEJRANMILLJ-MQQLFPLSSA-N 0 0 382.483 3.726 10 0 GHAERN Cc1ccc(F)c(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c3c2CCC3)c1 ZINC000333786933 851120071 /nfs/dbraw/zinc/12/00/71/851120071.db2.gz VMXGRAZMEXPJBB-QMHKHESXSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@H](NC(=O)N1CCC(n2cncn2)CC1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000164059403 851221922 /nfs/dbraw/zinc/22/19/22/851221922.db2.gz VGNXTAWJHOGHRZ-KGLIPLIRSA-N 0 0 395.429 3.836 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000170811533 851368134 /nfs/dbraw/zinc/36/81/34/851368134.db2.gz BRHSHHWGXPZFRS-MCIONIFRSA-N 0 0 393.318 3.943 10 0 GHAERN COc1ccc(OCCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000101532057 851645918 /nfs/dbraw/zinc/64/59/18/851645918.db2.gz JMYYCCZBZSBERR-UHFFFAOYSA-N 0 0 384.407 3.617 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1 ZINC000101582145 851691814 /nfs/dbraw/zinc/69/18/14/851691814.db2.gz VZMWYPGHIRIAOK-UHFFFAOYSA-N 0 0 380.828 3.655 10 0 GHAERN COc1ccccc1NC(=O)C[S@@](=O)Cc1csc(CCC(C)C)n1 ZINC000101719824 851832269 /nfs/dbraw/zinc/83/22/69/851832269.db2.gz QINCQCGJZHEMQS-RUZDIDTESA-N 0 0 380.535 3.628 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c2ccccc21 ZINC000329798676 862327498 /nfs/dbraw/zinc/32/74/98/862327498.db2.gz GRKIMECLFUVWGO-DSKINZAPSA-N 0 0 382.504 3.667 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3ccccc3Cl)C2)no1 ZINC000171370910 852625224 /nfs/dbraw/zinc/62/52/24/852625224.db2.gz SVOBQBGQYMXFRB-HNNXBMFYSA-N 0 0 390.915 3.973 10 0 GHAERN CC(C)[C@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC12CCCC2 ZINC000333967209 853285959 /nfs/dbraw/zinc/28/59/59/853285959.db2.gz RSYMMUBOZZWHRG-SJLPKXTDSA-N 0 0 376.522 3.515 10 0 GHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334077632 853961799 /nfs/dbraw/zinc/96/17/99/853961799.db2.gz KFNITKRDDNSWLP-FJIDUMEYSA-N 0 0 378.538 3.551 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H](c1nc3ccccc3[nH]1)C(C)C)C2 ZINC000171865641 854170464 /nfs/dbraw/zinc/17/04/64/854170464.db2.gz ZJZXYTAYSZTAQZ-LJQANCHMSA-N 0 0 394.523 3.885 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCC3(CCC3)C2)n1C[C@H]1CCOC1 ZINC000328804461 854542016 /nfs/dbraw/zinc/54/20/16/854542016.db2.gz CRNLWWDPKYEZSK-SQNIBIBYSA-N 0 0 388.556 3.614 10 0 GHAERN C[C@H]1CCC[C@@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000330121324 862592535 /nfs/dbraw/zinc/59/25/35/862592535.db2.gz GVNWRLUBZVRDCN-QNFHRHJVSA-N 0 0 395.507 3.623 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1CNc1nc2ccccc2nc1N1CCCCC1 ZINC000330151354 862617917 /nfs/dbraw/zinc/61/79/17/862617917.db2.gz WDMBDOSMUUODBS-OXJNMPFZSA-N 0 0 392.507 3.543 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)c(C)o1 ZINC000127227244 854943447 /nfs/dbraw/zinc/94/34/47/854943447.db2.gz RNZLKZLWNJFPKL-MFKMUULPSA-N 0 0 381.398 3.996 10 0 GHAERN CCOc1ccc(CNC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000105984233 855161453 /nfs/dbraw/zinc/16/14/53/855161453.db2.gz GKOAXDCYLPLKRU-IBGZPJMESA-N 0 0 399.528 3.613 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092220461 855542143 /nfs/dbraw/zinc/54/21/43/855542143.db2.gz ZKHDTUQJZIOSMG-KBPBESRZSA-N 0 0 379.382 3.719 10 0 GHAERN CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)(c2ccccc2)CC1 ZINC000032697313 856252161 /nfs/dbraw/zinc/25/21/61/856252161.db2.gz MZYBRYSPAVLKGX-HNNXBMFYSA-N 0 0 386.442 3.722 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)n1 ZINC000185665037 856403905 /nfs/dbraw/zinc/40/39/05/856403905.db2.gz OWGQBUYXNDSNHP-UHFFFAOYSA-N 0 0 375.423 3.541 10 0 GHAERN CCN(CC)c1nc2sc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2s1 ZINC000125323692 856651031 /nfs/dbraw/zinc/65/10/31/856651031.db2.gz OBEVULWKRKIYAE-UHFFFAOYSA-N 0 0 389.550 3.947 10 0 GHAERN COc1ccc([C@H](NC(=O)N[C@H](C)c2ccccc2C)c2nccn2C)cc1 ZINC000045597933 856742226 /nfs/dbraw/zinc/74/22/26/856742226.db2.gz PHIVNIJKOYHOEB-UZLBHIALSA-N 0 0 378.476 3.887 10 0 GHAERN CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000113218640 856972173 /nfs/dbraw/zinc/97/21/73/856972173.db2.gz YYDSBJJUWNVQRQ-GOSISDBHSA-N 0 0 375.476 3.558 10 0 GHAERN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217978 856995922 /nfs/dbraw/zinc/99/59/22/856995922.db2.gz YTMPXOHAWYAGGR-IBGZPJMESA-N 0 0 391.519 3.766 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000131501254 857753474 /nfs/dbraw/zinc/75/34/74/857753474.db2.gz JXHJBGZXBRRRPG-JTDSTZFVSA-N 0 0 394.462 3.664 10 0 GHAERN CC(=O)N(c1nc(CN2CC[C@H](Oc3cccnc3)C2)cs1)c1ccccc1 ZINC000166724620 859972627 /nfs/dbraw/zinc/97/26/27/859972627.db2.gz MZAPGZRAACXURU-FQEVSTJZSA-N 0 0 394.500 3.876 10 0 GHAERN CCn1c2ccccc2nc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000010651181 860038881 /nfs/dbraw/zinc/03/88/81/860038881.db2.gz CWIIADRHLXJQPU-UHFFFAOYSA-N 0 0 394.450 3.686 10 0 GHAERN COc1ccc(OC)c(NC(=O)CN2CCC(Cc3ccccc3OC)CC2)c1 ZINC000102410597 860262934 /nfs/dbraw/zinc/26/29/34/860262934.db2.gz FGIYBQUVNYHTCX-UHFFFAOYSA-N 0 0 398.503 3.606 10 0 GHAERN Cc1cc(-c2cc(C(=O)N3CCN4CCCC[C@@H]4C3)c3c(C)noc3n2)c(C)o1 ZINC000195073257 860422872 /nfs/dbraw/zinc/42/28/72/860422872.db2.gz LBOGUAQFXAYMRE-MRXNPFEDSA-N 0 0 394.475 3.718 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3c(Cl)cccc3Cl)C2)no1 ZINC000171352469 860424714 /nfs/dbraw/zinc/42/47/14/860424714.db2.gz KTUYHFUEONWAIG-CYBMUJFWSA-N 0 0 397.306 3.892 10 0 GHAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172369575 860433040 /nfs/dbraw/zinc/43/30/40/860433040.db2.gz BGWBLURUBUZDNZ-KRWDZBQOSA-N 0 0 392.459 3.573 10 0 GHAERN CC(=O)N1CCC(CCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000173659224 860442489 /nfs/dbraw/zinc/44/24/89/860442489.db2.gz GIPLKOKMEDMAGJ-UHFFFAOYSA-N 0 0 399.535 3.680 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2)cc1 ZINC000173778694 860443334 /nfs/dbraw/zinc/44/33/34/860443334.db2.gz DEFVXNOLSJARCC-IBGZPJMESA-N 0 0 381.476 3.726 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)C2)n1 ZINC000173070038 860649801 /nfs/dbraw/zinc/64/98/01/860649801.db2.gz GFBUFHXQGHCKQP-DLBZAZTESA-N 0 0 383.517 3.749 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCSc4ccc(F)cc43)CCO2)n1 ZINC000282399883 860683448 /nfs/dbraw/zinc/68/34/48/860683448.db2.gz KMNREBIDVLILOM-LSDHHAIUSA-N 0 0 393.509 3.911 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2)n1 ZINC000102841769 860879157 /nfs/dbraw/zinc/87/91/57/860879157.db2.gz UMXCUFOXCIJVLU-UHFFFAOYSA-N 0 0 389.864 3.508 10 0 GHAERN CS(=O)(=O)c1ccc(-c2nc(CN3CCOc4ccccc43)cs2)cc1 ZINC000102923322 860902388 /nfs/dbraw/zinc/90/23/88/860902388.db2.gz VUQJKICVFSKQEZ-UHFFFAOYSA-N 0 0 386.498 3.613 10 0 GHAERN COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)no2)cc1 ZINC000102950427 860916214 /nfs/dbraw/zinc/91/62/14/860916214.db2.gz NVTWKBRESZYBQM-KRWDZBQOSA-N 0 0 379.416 3.811 10 0 GHAERN Cc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000102989991 860933831 /nfs/dbraw/zinc/93/38/31/860933831.db2.gz ZWYLAKCQPQZMID-ROUUACIJSA-N 0 0 381.520 3.598 10 0 GHAERN CCCO[C@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000329037984 860967311 /nfs/dbraw/zinc/96/73/11/860967311.db2.gz RUNNGFMKSWWPMI-NLWGTHIKSA-N 0 0 377.529 3.739 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000329137822 861057341 /nfs/dbraw/zinc/05/73/41/861057341.db2.gz HTGIBKYXGXBMBO-LIRRHRJNSA-N 0 0 390.405 3.927 10 0 GHAERN CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000329201294 861137662 /nfs/dbraw/zinc/13/76/62/861137662.db2.gz XPKMZKDSDNCIJE-VXKWHMMOSA-N 0 0 396.535 3.601 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2nc3c(s2)CCCC3)CC1=O ZINC000176852314 863227318 /nfs/dbraw/zinc/22/73/18/863227318.db2.gz OFSBYXFIZOMYQC-NVXWUHKLSA-N 0 0 397.544 3.590 10 0 GHAERN CC(C)C(=O)N1CCC(NC(=O)N2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000194426893 863367460 /nfs/dbraw/zinc/36/74/60/863367460.db2.gz ZYVLJYGOFXVKFK-SFHVURJKSA-N 0 0 377.916 3.834 10 0 GHAERN CN(C(=O)CN1C(=O)CSc2ccccc21)[C@@H](c1ccccc1)C(F)(F)F ZINC000103050546 863848545 /nfs/dbraw/zinc/84/85/45/863848545.db2.gz SCEPQKDGMNAJRT-SFHVURJKSA-N 0 0 394.418 3.887 10 0 GHAERN O=C(COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1)Nc1ccccc1F ZINC000103352305 863968874 /nfs/dbraw/zinc/96/88/74/863968874.db2.gz PZGGENZKZQLFDL-QGZVFWFLSA-N 0 0 383.379 3.745 10 0 GHAERN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103744360 864079510 /nfs/dbraw/zinc/07/95/10/864079510.db2.gz XSCMHILXJCRKMX-UHFFFAOYSA-N 0 0 398.854 3.553 10 0 GHAERN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103740963 864079644 /nfs/dbraw/zinc/07/96/44/864079644.db2.gz YENKFNJPGNKCDG-UHFFFAOYSA-N 0 0 397.744 3.509 10 0 GHAERN CC[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1OC(F)F ZINC000103859635 864100264 /nfs/dbraw/zinc/10/02/64/864100264.db2.gz MVXVQCBZXCRUGQ-RDJZCZTQSA-N 0 0 378.419 3.642 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cc1ccc(F)c(Br)c1 ZINC000104460024 864326531 /nfs/dbraw/zinc/32/65/31/864326531.db2.gz GIWWEOUOMUMZDB-UHFFFAOYSA-N 0 0 380.257 3.840 10 0 GHAERN COc1ccc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016110 865085828 /nfs/dbraw/zinc/08/58/28/865085828.db2.gz VAVKJNDMBIOICI-QFBILLFUSA-N 0 0 394.523 3.841 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000109674644 866601126 /nfs/dbraw/zinc/60/11/26/866601126.db2.gz HTRXORLSZAFXDG-BKTGTZMESA-N 0 0 380.492 3.609 10 0 GHAERN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@@H](c5nccs5)C4)cc3c2C1 ZINC000110874549 866661897 /nfs/dbraw/zinc/66/18/97/866661897.db2.gz JUNDMHUZQCCXIR-ORAYPTAESA-N 0 0 381.501 3.963 10 0 GHAERN O=C(NCc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1)C1CCCC1 ZINC000113888932 866760613 /nfs/dbraw/zinc/76/06/13/866760613.db2.gz YEHFBIGYHQZURL-FQEVSTJZSA-N 0 0 380.492 3.584 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)[C@H](c2ccco2)C1 ZINC000173595506 866857545 /nfs/dbraw/zinc/85/75/45/866857545.db2.gz MXKIWYLJPKTHNE-OIISXLGYSA-N 0 0 388.489 3.681 10 0 GHAERN CC(C)Cn1nc(C(=O)N2CCC[C@H](c3nccs3)C2)c2ccccc2c1=O ZINC000170891098 882068062 /nfs/dbraw/zinc/06/80/62/882068062.db2.gz JMVPVHOLBURRFB-HNNXBMFYSA-N 0 0 396.516 3.529 10 0 GHAERN CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2cnn(C(C)C)c2n1 ZINC000151410639 867446853 /nfs/dbraw/zinc/44/68/53/867446853.db2.gz WVXMHQULRGKJSP-ZHRRBRCNSA-N 0 0 384.524 3.903 10 0 GHAERN Cc1sc2ncnc(SCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c2c1C ZINC000151451855 867514209 /nfs/dbraw/zinc/51/42/09/867514209.db2.gz IYGNZIHQRJPHHE-AUUYWEPGSA-N 0 0 391.562 3.554 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171616233 882116655 /nfs/dbraw/zinc/11/66/55/882116655.db2.gz ZAVLLGOSDCATSP-IIBYNOLFSA-N 0 0 377.488 3.771 10 0 GHAERN O=C(c1ccccc1I)N1CCC[C@@H](c2nccs2)C1 ZINC000171646831 882121323 /nfs/dbraw/zinc/12/13/23/882121323.db2.gz UOHAGQLPMLXLFO-LLVKDONJSA-N 0 0 398.269 3.768 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(Cc3c(Cl)n(C)nc3C(C)C)CC2)nc1 ZINC000091687870 882151908 /nfs/dbraw/zinc/15/19/08/882151908.db2.gz JBLYTKIPTYFFMD-UHFFFAOYSA-N 0 0 389.931 3.751 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000171767264 882160466 /nfs/dbraw/zinc/16/04/66/882160466.db2.gz CVNMIKJMTIULMO-CABCVRRESA-N 0 0 387.270 3.994 10 0 GHAERN c1[nH]c([C@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)nc1-c1ccccc1 ZINC000114481812 869215499 /nfs/dbraw/zinc/21/54/99/869215499.db2.gz WZWZXUYALKIPOI-SFHVURJKSA-N 0 0 393.491 3.733 10 0 GHAERN CC[C@@](C)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1nccs1 ZINC000172420148 882275225 /nfs/dbraw/zinc/27/52/25/882275225.db2.gz NNZVZXNOYFOOEJ-HXUWFJFHSA-N 0 0 389.496 3.576 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3csc(-c4cnccn4)n3)C2)cc1 ZINC000172440131 882276842 /nfs/dbraw/zinc/27/68/42/882276842.db2.gz SNWHEFIACIONMB-DZGCQCFKSA-N 0 0 380.473 3.627 10 0 GHAERN C[C@@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1ncc(-c2ccccc2)o1 ZINC000172468347 882279066 /nfs/dbraw/zinc/27/90/66/882279066.db2.gz VYNUEHPCBLGIGJ-PBHICJAKSA-N 0 0 390.443 3.828 10 0 GHAERN CN(C)c1cccc([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000172639512 882282695 /nfs/dbraw/zinc/28/26/95/882282695.db2.gz HVFXRPQUBRWNNG-IRLDBZIGSA-N 0 0 381.520 3.765 10 0 GHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C2CCN(c3nccc(OC)n3)CC2)o1 ZINC000172669180 882283564 /nfs/dbraw/zinc/28/35/64/882283564.db2.gz XSOGRGGWEYRELQ-SFHVURJKSA-N 0 0 398.507 3.611 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCOc3ccc(Cl)cc32)CC1 ZINC000172684400 882285462 /nfs/dbraw/zinc/28/54/62/882285462.db2.gz ONSSWWGWXJYSNY-UHFFFAOYSA-N 0 0 390.892 3.679 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172549496 882294279 /nfs/dbraw/zinc/29/42/79/882294279.db2.gz WDDDMCOIOZBTKQ-IBGZPJMESA-N 0 0 382.529 3.738 10 0 GHAERN CC[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000172718085 882301864 /nfs/dbraw/zinc/30/18/64/882301864.db2.gz LARWAOZMPZATIQ-SFHVURJKSA-N 0 0 385.895 3.855 10 0 GHAERN Cc1cccc(C2(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)CCCC2)c1 ZINC000172957218 882325692 /nfs/dbraw/zinc/32/56/92/882325692.db2.gz HCXBRBMJZKCKCZ-UHFFFAOYSA-N 0 0 391.515 3.828 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172984789 882326912 /nfs/dbraw/zinc/32/69/12/882326912.db2.gz HCHDAGTYEBMXAU-QZTJIDSGSA-N 0 0 398.409 3.610 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172985538 882328259 /nfs/dbraw/zinc/32/82/59/882328259.db2.gz BLQCXISKFOZCQP-WOJBJXKFSA-N 0 0 376.456 3.640 10 0 GHAERN O=C(Nc1cccc(NC2CCCC2)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173196720 882339563 /nfs/dbraw/zinc/33/95/63/882339563.db2.gz VKDHGHAMNZGLOL-UHFFFAOYSA-N 0 0 392.503 3.927 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)n1 ZINC000173954504 869909791 /nfs/dbraw/zinc/90/97/91/869909791.db2.gz CYDZQMPYIBRXKH-CVEARBPZSA-N 0 0 389.565 3.764 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(C)Cc3nc4ccccc4s3)CC2)nc1 ZINC000173375627 882356656 /nfs/dbraw/zinc/35/66/56/882356656.db2.gz UGKVWLLKMJQDDF-UHFFFAOYSA-N 0 0 395.532 3.810 10 0 GHAERN O=C(c1ncoc1-c1ccc2c(c1)OCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000173493133 882364613 /nfs/dbraw/zinc/36/46/13/882364613.db2.gz ZPENGYZVRHSSEM-AWEZNQCLSA-N 0 0 397.456 3.589 10 0 GHAERN CCc1c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000186157287 870226640 /nfs/dbraw/zinc/22/66/40/870226640.db2.gz BWTTXFHROWIMGR-VFNWGFHPSA-N 0 0 387.911 3.855 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cs1 ZINC000187041053 870245954 /nfs/dbraw/zinc/24/59/54/870245954.db2.gz JIQCHCGJEURJEQ-ROUUACIJSA-N 0 0 385.489 3.546 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cs1 ZINC000187041090 870246294 /nfs/dbraw/zinc/24/62/94/870246294.db2.gz JIQCHCGJEURJEQ-ZWKOTPCHSA-N 0 0 385.489 3.546 10 0 GHAERN C[C@@H](CNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)Cc1cccs1 ZINC000173634479 882388911 /nfs/dbraw/zinc/38/89/11/882388911.db2.gz JLLJTJFSNGHXIN-QGZVFWFLSA-N 0 0 391.581 3.751 10 0 GHAERN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000047217482 870462282 /nfs/dbraw/zinc/46/22/82/870462282.db2.gz HTKPVAROJXKMHM-DLBZAZTESA-N 0 0 390.281 3.623 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000173848469 882409953 /nfs/dbraw/zinc/40/99/53/882409953.db2.gz ABAPOJSGQAHYJX-VQIMIIECSA-N 0 0 376.460 3.603 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000174069042 882421201 /nfs/dbraw/zinc/42/12/01/882421201.db2.gz FMSCFKKVVDETDH-UHFFFAOYSA-N 0 0 399.441 3.808 10 0 GHAERN Cc1ccc(O[C@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000174072606 882422729 /nfs/dbraw/zinc/42/27/29/882422729.db2.gz JHCUDOSXHQOAJD-QGZVFWFLSA-N 0 0 398.478 3.570 10 0 GHAERN CCOc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000114821992 870707469 /nfs/dbraw/zinc/70/74/69/870707469.db2.gz PMJCVKPEKRYTHA-HNNXBMFYSA-N 0 0 375.494 3.640 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174402883 882467594 /nfs/dbraw/zinc/46/75/94/882467594.db2.gz QXPCNBIHHQTTAQ-OALUTQOASA-N 0 0 383.496 3.671 10 0 GHAERN CC(C)(C)c1ccccc1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174423615 882469244 /nfs/dbraw/zinc/46/92/44/882469244.db2.gz WDGSNQDLIOCRNW-UHFFFAOYSA-N 0 0 397.523 3.984 10 0 GHAERN O=C(Nc1cccc(N2CCOC2=O)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174909830 882506165 /nfs/dbraw/zinc/50/61/65/882506165.db2.gz DJLNTBBZXFEHGA-UHFFFAOYSA-N 0 0 398.438 3.891 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)NCc1cccnc1-n1cncn1)C(C)(C)C ZINC000175367600 882547787 /nfs/dbraw/zinc/54/77/87/882547787.db2.gz ZWWVWQWJARIQFS-SFHVURJKSA-N 0 0 378.480 3.557 10 0 GHAERN CCS[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175263435 882562797 /nfs/dbraw/zinc/56/27/97/882562797.db2.gz JTRJWGZQFVALOA-OALUTQOASA-N 0 0 392.540 3.858 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(Cc3ccc(O)cc3)CC3CC3)CC2)nc1 ZINC000175280905 882564162 /nfs/dbraw/zinc/56/41/62/882564162.db2.gz AQRGJTKRZLDGSQ-UHFFFAOYSA-N 0 0 394.519 3.686 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103458140 872015253 /nfs/dbraw/zinc/01/52/53/872015253.db2.gz RJQXZVHFCGVWOO-KRWDZBQOSA-N 0 0 389.569 3.734 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCCc2c[nH]c3c2cccc3C)c2ccccc2)[nH]1 ZINC000175431593 882578902 /nfs/dbraw/zinc/57/89/02/882578902.db2.gz CHTFRXQWFURXBZ-HXUWFJFHSA-N 0 0 388.475 3.534 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1cc(Br)cnc1Cl ZINC000101635821 872150997 /nfs/dbraw/zinc/15/09/97/872150997.db2.gz MOLZSLUQZWULKD-UHFFFAOYSA-N 0 0 375.053 3.818 10 0 GHAERN O=C([C@@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175520674 882593263 /nfs/dbraw/zinc/59/32/63/882593263.db2.gz VTSQDBIVSMLQJN-ARFHVFGLSA-N 0 0 381.875 3.769 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000175587847 882600106 /nfs/dbraw/zinc/60/01/06/882600106.db2.gz YLSWJBIZBXVYCX-UHFFFAOYSA-N 0 0 380.492 3.869 10 0 GHAERN COc1ccc(OC)c(CN(Cn2nc(C(C)C)n(C)c2=S)C2CC2)c1 ZINC000101902400 872356776 /nfs/dbraw/zinc/35/67/76/872356776.db2.gz RCKJQVBJKBJVKG-UHFFFAOYSA-N 0 0 376.526 3.714 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175617867 882605663 /nfs/dbraw/zinc/60/56/63/882605663.db2.gz XQCSPEYILCWLST-QZTJIDSGSA-N 0 0 394.556 3.878 10 0 GHAERN O=C(NCc1nccn1CCc1ccccc1)N1CCC[C@H](c2nccs2)C1 ZINC000175921578 882615053 /nfs/dbraw/zinc/61/50/53/882615053.db2.gz ZZXJHXPBQNBDEX-SFHVURJKSA-N 0 0 395.532 3.672 10 0 GHAERN CC[C@@H](NC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21)c1nccs1 ZINC000175802628 882633246 /nfs/dbraw/zinc/63/32/46/882633246.db2.gz JOWNTCBQMZBNAI-DOTOQJQBSA-N 0 0 398.532 3.920 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NCCc3coc(-c4ccc(F)cc4)n3)nc21 ZINC000176029885 882660073 /nfs/dbraw/zinc/66/00/73/882660073.db2.gz ZHAXLPATDAIYTE-UHFFFAOYSA-N 0 0 392.434 3.957 10 0 GHAERN C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176084132 882665440 /nfs/dbraw/zinc/66/54/40/882665440.db2.gz FZXXPZLINVSFJP-ZDUSSCGKSA-N 0 0 388.464 3.552 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000116166365 873302993 /nfs/dbraw/zinc/30/29/93/873302993.db2.gz WPNSPPUMCMXBMA-DLBZAZTESA-N 0 0 390.474 3.710 10 0 GHAERN O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCC(Cn2cccn2)CC1 ZINC000127711768 873335370 /nfs/dbraw/zinc/33/53/70/873335370.db2.gz JQUUYPAREIOELB-PBHICJAKSA-N 0 0 376.863 3.653 10 0 GHAERN CC(C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000116568276 873567620 /nfs/dbraw/zinc/56/76/20/873567620.db2.gz YASZXYPXXCIGOR-KNQAVFIVSA-N 0 0 380.536 3.912 10 0 GHAERN Cc1ccc(N2CCCC2)c(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000116761196 873672077 /nfs/dbraw/zinc/67/20/77/873672077.db2.gz RZYYCUGQITXUJF-UHFFFAOYSA-N 0 0 397.544 3.645 10 0 GHAERN Cc1ccccc1CC(C)(C)NC(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000102880372 873790721 /nfs/dbraw/zinc/79/07/21/873790721.db2.gz LVOWFQLGNOFYAH-ZHACJKMWSA-N 0 0 392.503 3.765 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CCN(c3cccc(C)n3)CC1)CCC2 ZINC000117058016 873853397 /nfs/dbraw/zinc/85/33/97/873853397.db2.gz RRFDXBDODIHMNE-GOSISDBHSA-N 0 0 399.564 3.843 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(Cc3nc([C@H](C)OCC(C)C)no3)C2)c1 ZINC000177415980 882795728 /nfs/dbraw/zinc/79/57/28/882795728.db2.gz FRQPFMHMANOINA-HOTGVXAUSA-N 0 0 389.496 3.810 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177509003 882808342 /nfs/dbraw/zinc/80/83/42/882808342.db2.gz KMDPLMIFIZXJHE-JTQLQIEISA-N 0 0 384.288 3.795 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000177945354 882849295 /nfs/dbraw/zinc/84/92/95/882849295.db2.gz HFVADIJGNMCEPG-FQEVSTJZSA-N 0 0 390.443 3.632 10 0 GHAERN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178225532 882876449 /nfs/dbraw/zinc/87/64/49/882876449.db2.gz WCHSOPSKVRRBIU-HNNXBMFYSA-N 0 0 384.501 3.723 10 0 GHAERN CO[C@H](C)c1noc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000178145486 882889979 /nfs/dbraw/zinc/88/99/79/882889979.db2.gz GEYBCKDIYJQMJC-JUTIIYIPSA-N 0 0 381.841 3.534 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(COc3ccc(F)cc3)no2)CC1 ZINC000178517324 882900279 /nfs/dbraw/zinc/90/02/79/882900279.db2.gz CBPJPNZREKWGMH-UHFFFAOYSA-N 0 0 399.397 3.947 10 0 GHAERN Cc1ccc(-c2[nH]nc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)c2C)o1 ZINC000178551112 882901186 /nfs/dbraw/zinc/90/11/86/882901186.db2.gz CBDPHWALDDWOIF-UHFFFAOYSA-N 0 0 398.488 3.839 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685392 875365521 /nfs/dbraw/zinc/36/55/21/875365521.db2.gz QKWQCCDFOZNVOF-RMKBEBRYSA-N 0 0 380.485 3.814 10 0 GHAERN C/C(=C\c1ccccc1Cl)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179239973 882983658 /nfs/dbraw/zinc/98/36/58/882983658.db2.gz LMVYAOLHOUXSTF-ACCUITESSA-N 0 0 387.867 3.917 10 0 GHAERN CC[C@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(OC)cc1 ZINC000179597418 883013163 /nfs/dbraw/zinc/01/31/63/883013163.db2.gz KCJISDPOPBIKJP-NRFANRHFSA-N 0 0 386.536 3.830 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000179606326 883014510 /nfs/dbraw/zinc/01/45/10/883014510.db2.gz JLSHQWIVJWFVJG-IBGZPJMESA-N 0 0 376.460 3.734 10 0 GHAERN O=C(COc1ccccc1Br)N1CCC[C@@H](c2nccs2)C1 ZINC000179674381 883017801 /nfs/dbraw/zinc/01/78/01/883017801.db2.gz RBJVJLKTOYLIRY-GFCCVEGCSA-N 0 0 381.295 3.691 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)o1 ZINC000180009311 883044416 /nfs/dbraw/zinc/04/44/16/883044416.db2.gz NKYDWHPKBNNJRO-KKRMOGRASA-N 0 0 378.472 3.581 10 0 GHAERN O=C(Nc1c(F)cc(Cl)cc1F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000180363021 883052529 /nfs/dbraw/zinc/05/25/29/883052529.db2.gz UGIVMJHAUPVNEG-UHFFFAOYSA-N 0 0 379.794 3.504 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCC[C@H]2Cn2ccnc2)s1)c1ccccc1 ZINC000180471954 883060943 /nfs/dbraw/zinc/06/09/43/883060943.db2.gz IYMROZZZRKEGIS-IRXDYDNUSA-N 0 0 396.520 3.973 10 0 GHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000121304382 876923126 /nfs/dbraw/zinc/92/31/26/876923126.db2.gz LCRUFEJJHCWXIZ-GOSISDBHSA-N 0 0 392.484 3.538 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cnn(CC(C)C)c3C(F)F)CC2)nc1 ZINC000181195693 883126788 /nfs/dbraw/zinc/12/67/88/883126788.db2.gz NANBKFZVGXTAFW-UHFFFAOYSA-N 0 0 392.450 3.864 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182102400 883205279 /nfs/dbraw/zinc/20/52/79/883205279.db2.gz BZSGPYVCZLUVPO-NSHDSACASA-N 0 0 393.925 3.939 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1F ZINC000182914206 883249045 /nfs/dbraw/zinc/24/90/45/883249045.db2.gz CEFCZSDWRULQDZ-QGZVFWFLSA-N 0 0 379.867 3.814 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490569 883267691 /nfs/dbraw/zinc/26/76/91/883267691.db2.gz DJTUPSCQXWOIIT-AZUAARDMSA-N 0 0 385.533 3.865 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000184009689 883296965 /nfs/dbraw/zinc/29/69/65/883296965.db2.gz RFJFDYDCCLVPCF-JTSKRJEESA-N 0 0 395.478 3.648 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3nc(C)no3)CC2)c1C ZINC000184020799 883299364 /nfs/dbraw/zinc/29/93/64/883299364.db2.gz UOLXIAHZUBAPNV-UHFFFAOYSA-N 0 0 392.843 3.538 10 0 GHAERN CCOc1ccc(OCC)c(NC(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000184039279 883302466 /nfs/dbraw/zinc/30/24/66/883302466.db2.gz FDFFYQQTKNPLCK-UHFFFAOYSA-N 0 0 384.480 3.623 10 0 GHAERN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCCN(c2ccccn2)CC1 ZINC000184050412 883331314 /nfs/dbraw/zinc/33/13/14/883331314.db2.gz ICZJSRZHFXGHMK-UHFFFAOYSA-N 0 0 394.397 3.767 10 0 GHAERN O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCCN(c2ccccn2)CC1 ZINC000184236467 883339630 /nfs/dbraw/zinc/33/96/30/883339630.db2.gz GOFZACTZLRPPJT-UHFFFAOYSA-N 0 0 384.789 3.501 10 0 GHAERN COCCOc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000184535887 883353802 /nfs/dbraw/zinc/35/38/02/883353802.db2.gz RDLKBKXOWDBHFC-ZDUSSCGKSA-N 0 0 380.897 3.842 10 0 GHAERN CCc1nc(CCNC(=O)N2CCC(Cc3ccccc3OC)CC2)cs1 ZINC000102458571 883376995 /nfs/dbraw/zinc/37/69/95/883376995.db2.gz BCOTZOYFSWXCFW-UHFFFAOYSA-N 0 0 387.549 3.921 10 0 GHAERN CC[C@@]1(C)CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185246860 883429709 /nfs/dbraw/zinc/42/97/09/883429709.db2.gz OUTRZRHQRCPGPJ-FPOVZHCZSA-N 0 0 375.488 3.841 10 0 GHAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000185295063 883432998 /nfs/dbraw/zinc/43/29/98/883432998.db2.gz XCBGUDBTVVZCNY-MRXNPFEDSA-N 0 0 377.366 3.777 10 0 GHAERN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185389178 883445537 /nfs/dbraw/zinc/44/55/37/883445537.db2.gz VBJXGWIXILBYAZ-LIRRHRJNSA-N 0 0 396.487 3.557 10 0 GHAERN COc1ccc(F)c(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185397908 883447015 /nfs/dbraw/zinc/44/70/15/883447015.db2.gz APAWUXPSKNANKV-GOSISDBHSA-N 0 0 389.402 3.588 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2c[nH]c3ccccc23)c2ccc(F)cc2C1 ZINC000185500135 883463121 /nfs/dbraw/zinc/46/31/21/883463121.db2.gz DKPCCWNUQYQZOP-QFIPXVFZSA-N 0 0 393.462 3.849 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000102531307 883537464 /nfs/dbraw/zinc/53/74/64/883537464.db2.gz FBCDWUAHTNYKDE-OAHLLOKOSA-N 0 0 387.455 3.881 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccc(F)cc2C1 ZINC000185501196 883546103 /nfs/dbraw/zinc/54/61/03/883546103.db2.gz PEOOJAWUGDDTHM-JOCHJYFZSA-N 0 0 380.463 3.928 10 0 GHAERN COc1ccc(C(C)(C)C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185507675 883547920 /nfs/dbraw/zinc/54/79/20/883547920.db2.gz HTEAYPBVWFFEGO-OAQYLSRUSA-N 0 0 398.478 3.722 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c2ccc(F)cc2C1 ZINC000185513211 883548691 /nfs/dbraw/zinc/54/86/91/883548691.db2.gz BNROCYWUMLMTCV-IBGZPJMESA-N 0 0 397.425 3.978 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2ccc(F)cc2C1 ZINC000185534814 883551184 /nfs/dbraw/zinc/55/11/84/883551184.db2.gz RMHQIXKMDWLQJD-CQSZACIVSA-N 0 0 384.238 3.684 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000185538837 883553064 /nfs/dbraw/zinc/55/30/64/883553064.db2.gz ASKQOEOOBVSPEP-KRWDZBQOSA-N 0 0 377.366 3.719 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2cc(C)cc(C)c2)c2ccc(F)cc2C1 ZINC000185542518 883554245 /nfs/dbraw/zinc/55/42/45/883554245.db2.gz AGYQWFPWLBCKRZ-QFIPXVFZSA-N 0 0 398.478 3.821 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185558998 883557221 /nfs/dbraw/zinc/55/72/21/883557221.db2.gz FOPKPZBYFRZLFP-OWSFEGEDSA-N 0 0 396.462 3.847 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NC[C@H](C)Cn2ccnc2C)CC1 ZINC000102564651 883562738 /nfs/dbraw/zinc/56/27/38/883562738.db2.gz YRYDKZYDKOFERG-KRWDZBQOSA-N 0 0 384.524 3.501 10 0 GHAERN Cc1cccc([C@@H](N[C@H]2CCS(=O)(=O)c3ccccc32)c2ccccn2)c1 ZINC000186305835 883630570 /nfs/dbraw/zinc/63/05/70/883630570.db2.gz ABMVYXKYIOXVLG-SIKLNZKXSA-N 0 0 378.497 3.988 10 0 GHAERN Cc1c([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)nnn1-c1ccc(F)cc1 ZINC000186557225 883662852 /nfs/dbraw/zinc/66/28/52/883662852.db2.gz AGFJUYIQZFLWKM-GFCCVEGCSA-N 0 0 380.427 3.865 10 0 GHAERN CN(CCOc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186571650 883664627 /nfs/dbraw/zinc/66/46/27/883664627.db2.gz GCNIVELZIPFSCB-UHFFFAOYSA-N 0 0 388.855 3.860 10 0 GHAERN C[C@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)Oc1ccccc1Cl ZINC000186618602 883674943 /nfs/dbraw/zinc/67/49/43/883674943.db2.gz BWICBQIZSVVGLT-GFCCVEGCSA-N 0 0 388.855 3.906 10 0 GHAERN Cc1c([C@@H](C)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652355 883682319 /nfs/dbraw/zinc/68/23/19/883682319.db2.gz AUXOFEIIYPREME-QRQCRPRQSA-N 0 0 390.466 3.889 10 0 GHAERN Cc1c([C@H](C)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652373 883682457 /nfs/dbraw/zinc/68/24/57/883682457.db2.gz AUXOFEIIYPREME-NYHFZMIOSA-N 0 0 390.466 3.889 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)c21 ZINC000186656372 883682954 /nfs/dbraw/zinc/68/29/54/883682954.db2.gz RVYZXDSBCYDLKW-UHFFFAOYSA-N 0 0 377.448 3.818 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)ccc2NC1=O ZINC000186682645 883685960 /nfs/dbraw/zinc/68/59/60/883685960.db2.gz PEANIBXEBVECCF-HKUYNNGSSA-N 0 0 380.448 3.706 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@H](c2nccs2)C1 ZINC000186926379 883717162 /nfs/dbraw/zinc/71/71/62/883717162.db2.gz JDWBNDNIIUBETA-AWEZNQCLSA-N 0 0 384.954 3.970 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCSC2(CCOCC2)C1 ZINC000186855287 883723498 /nfs/dbraw/zinc/72/34/98/883723498.db2.gz FGFNQIFAPAHEOO-SNAWJCMRSA-N 0 0 397.972 3.639 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)ccc2[nH]1 ZINC000186993982 883742679 /nfs/dbraw/zinc/74/26/79/883742679.db2.gz HSJUPQIXDSUQOZ-QHCPKHFHSA-N 0 0 390.439 3.616 10 0 GHAERN O=C(c1ccncc1I)N1CCC(c2ccsc2)CC1 ZINC000188010381 883819929 /nfs/dbraw/zinc/81/99/29/883819929.db2.gz ZJJAMAQNLLAFHE-UHFFFAOYSA-N 0 0 398.269 3.768 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188476877 883853246 /nfs/dbraw/zinc/85/32/46/883853246.db2.gz JKWPXWSGMLINGQ-GUDVDZBRSA-N 0 0 382.508 3.517 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1OC ZINC000188732970 883864366 /nfs/dbraw/zinc/86/43/66/883864366.db2.gz OBLQGYKJKYIZSF-XAVKZTDYSA-N 0 0 398.507 3.816 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@H]2C ZINC000188795941 883873204 /nfs/dbraw/zinc/87/32/04/883873204.db2.gz UWUIROHVBJRQRW-PPGNKHEKSA-N 0 0 376.407 3.620 10 0 GHAERN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccc2c(c1)NC(=O)C2 ZINC000188759451 883880068 /nfs/dbraw/zinc/88/00/68/883880068.db2.gz ZUXBZOZNJFBIEZ-HXUWFJFHSA-N 0 0 377.831 3.749 10 0 GHAERN O=C(CCc1nc(C2CCCC2)no1)N1CC2(CCOCC2)c2ccccc21 ZINC000189799994 883996747 /nfs/dbraw/zinc/99/67/47/883996747.db2.gz YJJSVEUXPXXYSQ-UHFFFAOYSA-N 0 0 381.476 3.755 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccccc1COC1CCOCC1 ZINC000189942079 884024787 /nfs/dbraw/zinc/02/47/87/884024787.db2.gz AGYPVFRDLHPTBB-NRFANRHFSA-N 0 0 381.472 3.944 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CSc2ccc3ccccc3c2)C1 ZINC000190059443 884046528 /nfs/dbraw/zinc/04/65/28/884046528.db2.gz HEKHLCOQEFOYFN-WMZOPIPTSA-N 0 0 383.473 3.612 10 0 GHAERN O=C(CSc1nc2ccccc2s1)N1CCC(Nc2nccs2)CC1 ZINC000190397163 884059471 /nfs/dbraw/zinc/05/94/71/884059471.db2.gz LYRHTPLABWSMKB-UHFFFAOYSA-N 0 0 390.559 3.948 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000190256896 884062011 /nfs/dbraw/zinc/06/20/11/884062011.db2.gz KUFWRUTYEJGRGD-YJBOKZPZSA-N 0 0 377.435 3.984 10 0 GHAERN O=C(c1ccc(C(F)(F)F)[nH]c1=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190289675 884064067 /nfs/dbraw/zinc/06/40/67/884064067.db2.gz JKNSTOYGTOJQMN-SNVBAGLBSA-N 0 0 386.320 3.692 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CCC(Nc4nccs4)CC3)ccc2[nH]1 ZINC000190426730 884080532 /nfs/dbraw/zinc/08/05/32/884080532.db2.gz IVWGELUNAQTYAU-UHFFFAOYSA-N 0 0 398.488 3.518 10 0 GHAERN O=C(CCC(=O)N1CCC(Nc2nccs2)CC1)c1ccc(Cl)cc1 ZINC000190438339 884082004 /nfs/dbraw/zinc/08/20/04/884082004.db2.gz BUFXGXLVPZBCGB-UHFFFAOYSA-N 0 0 377.897 3.863 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)n1 ZINC000191785278 884210002 /nfs/dbraw/zinc/21/00/02/884210002.db2.gz IWJDALMQYCOLFN-UHFFFAOYSA-N 0 0 375.860 3.555 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000192135037 884242924 /nfs/dbraw/zinc/24/29/24/884242924.db2.gz AKSKKNWCOBCXBV-LPHOPBHVSA-N 0 0 387.386 3.643 10 0 GHAERN Cc1sc2[nH]c(CN3CC4(CCOCC4)c4ccccc43)nc(=O)c2c1C ZINC000192281008 884247189 /nfs/dbraw/zinc/24/71/89/884247189.db2.gz KXYWMTMYMLAIIX-UHFFFAOYSA-N 0 0 381.501 3.670 10 0 GHAERN Cn1c(=O)sc2cc(CN[C@H](c3ncon3)c3ccc(Cl)cc3)ccc21 ZINC000192657566 884276057 /nfs/dbraw/zinc/27/60/57/884276057.db2.gz PPWKGQSXGWVZAW-INIZCTEOSA-N 0 0 386.864 3.516 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1 ZINC000192547456 884280267 /nfs/dbraw/zinc/28/02/67/884280267.db2.gz RBIXSLQKIVMTPA-JXMROGBWSA-N 0 0 384.520 3.738 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000193249483 884333522 /nfs/dbraw/zinc/33/35/22/884333522.db2.gz BOVVNXOBRKMMBI-YJBOKZPZSA-N 0 0 399.516 3.565 10 0 GHAERN CC(=O)N1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000193369822 884345786 /nfs/dbraw/zinc/34/57/86/884345786.db2.gz CVVSQZDKLGJQOP-SFHVURJKSA-N 0 0 391.924 3.755 10 0 GHAERN C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)C(C)(C)c1ccccc1 ZINC000102804315 884467346 /nfs/dbraw/zinc/46/73/46/884467346.db2.gz MYQILDXSBJRCCT-DLBZAZTESA-N 0 0 377.492 3.994 10 0 GHAERN CC[C@H](C)c1ccc(NC(=O)C[S@@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711844 884840700 /nfs/dbraw/zinc/84/07/00/884840700.db2.gz TZGZQETVSDAUBV-CEXHIMGSSA-N 0 0 387.461 3.731 10 0 GHAERN O=S(=O)(Cc1nc(-c2ccoc2)no1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000105723432 884843092 /nfs/dbraw/zinc/84/30/92/884843092.db2.gz KYEFCEPTVIXCHO-UHFFFAOYSA-N 0 0 392.742 3.976 10 0 GHAERN Cc1noc(CCNC(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)n1 ZINC000105957069 884878944 /nfs/dbraw/zinc/87/89/44/884878944.db2.gz RUHACYCTZTXCPZ-SFHVURJKSA-N 0 0 389.427 3.849 10 0 GHAERN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)n1 ZINC000105974364 884886513 /nfs/dbraw/zinc/88/65/13/884886513.db2.gz WOGFIZCXFYLFSV-QGZVFWFLSA-N 0 0 389.459 3.926 10 0 GHAERN CNC(=O)[C@@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000104356823 885389731 /nfs/dbraw/zinc/38/97/31/885389731.db2.gz HNCVTJWBROQIJC-SFHVURJKSA-N 0 0 388.552 3.657 10 0 GHAERN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000018008875 885803711 /nfs/dbraw/zinc/80/37/11/885803711.db2.gz XXLWVVBFGAYQCG-UHFFFAOYSA-N 0 0 376.909 3.912 10 0 GHAERN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)N1CCC(n2cncn2)CC1 ZINC000101996805 885961013 /nfs/dbraw/zinc/96/10/13/885961013.db2.gz KUUZPXSELCUTHC-UHFFFAOYSA-N 0 0 387.915 3.790 10 0 GHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000102085186 885964924 /nfs/dbraw/zinc/96/49/24/885964924.db2.gz GBBGTFJIGLRQPY-UHFFFAOYSA-N 0 0 394.862 3.703 10 0 GHAERN O=C(NCc1ccccc1Cn1cccn1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103176909 885984932 /nfs/dbraw/zinc/98/49/32/885984932.db2.gz JSRLUJLWSFLGPP-QHCPKHFHSA-N 0 0 397.482 3.915 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@@H]2CCSc3c(F)cccc32)c2ccccc2)[nH]1 ZINC000105140742 886011014 /nfs/dbraw/zinc/01/10/14/886011014.db2.gz HAYLHTCYYYWBLH-SJORKVTESA-N 0 0 397.479 3.878 10 0 GHAERN CCOc1cccc([C@@H](C)NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000105203248 886012836 /nfs/dbraw/zinc/01/28/36/886012836.db2.gz NDNBXXZJAHRSDB-AUUYWEPGSA-N 0 0 379.464 3.662 10 0 GHAERN Cc1ccc(-c2cc(CN3CCCN(Cc4noc(C5CC5)n4)CC3)on2)cc1 ZINC000106150351 886027333 /nfs/dbraw/zinc/02/73/33/886027333.db2.gz PQPAHTSFWXKEHR-UHFFFAOYSA-N 0 0 393.491 3.618 10 0 GHAERN COc1ccc(Cn2cc(C(=O)N3CCC(c4nc(C)cs4)CC3)cn2)cc1 ZINC000109268780 886110994 /nfs/dbraw/zinc/11/09/94/886110994.db2.gz DVVQGWGVLDSOQG-UHFFFAOYSA-N 0 0 396.516 3.725 10 0 GHAERN CC(C)n1cnnc1C1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 ZINC000109994051 886167065 /nfs/dbraw/zinc/16/70/65/886167065.db2.gz ZUOXPIVGYMARNG-CMDGGOBGSA-N 0 0 375.476 3.827 10 0 GHAERN CCOc1c(Cl)cc(/C=C/C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cc1OC ZINC000116119516 886354517 /nfs/dbraw/zinc/35/45/17/886354517.db2.gz SVNUWKNGBLZUCC-LLYBFZRZSA-N 0 0 389.883 3.510 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3nnc(/C=C/c4ccco4)s3)CCO2)o1 ZINC000119614749 886470127 /nfs/dbraw/zinc/47/01/27/886470127.db2.gz DBNBULDNPNJSCA-KEDPEKRHSA-N 0 0 386.433 3.808 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccnn3Cc3ccc(F)cc3)CCO2)o1 ZINC000119636868 886472029 /nfs/dbraw/zinc/47/20/29/886472029.db2.gz PRSPRJRPNQKBMA-GOSISDBHSA-N 0 0 384.411 3.577 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000119685954 886473807 /nfs/dbraw/zinc/47/38/07/886473807.db2.gz JVWFRKZACDMYRP-MRXNPFEDSA-N 0 0 399.388 3.969 10 0 GHAERN CCO[C@@H](C)c1noc(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000120822889 886531661 /nfs/dbraw/zinc/53/16/61/886531661.db2.gz WUMCYBPINHNTIO-RDJZCZTQSA-N 0 0 381.480 3.937 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N[C@H]2CCOC3(CCCCC3)C2)c2ccccc21 ZINC000332861148 886554623 /nfs/dbraw/zinc/55/46/23/886554623.db2.gz DFJALEBMSMWTOS-MOPGFXCFSA-N 0 0 384.520 3.915 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(Br)cn1 ZINC000332947648 886563000 /nfs/dbraw/zinc/56/30/00/886563000.db2.gz SMOLZADBRUQGOJ-VXGBXAGGSA-N 0 0 395.326 3.951 10 0 GHAERN CC(C)(C)c1noc(CCC(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)n1 ZINC000103846137 913056169 /nfs/dbraw/zinc/05/61/69/913056169.db2.gz FVLKZZSOAVFPHX-UHFFFAOYSA-N 0 0 382.420 3.833 10 0 GHAERN Cc1nc(-c2c[nH]c(C(=O)NC3CCN(c4ccc(C)cn4)CC3)c2)cs1 ZINC000124214639 886719126 /nfs/dbraw/zinc/71/91/26/886719126.db2.gz FOZDRUDOQLODPB-UHFFFAOYSA-N 0 0 381.505 3.549 10 0 GHAERN COc1cccc(-c2noc([C@H](C)N[C@H](C)c3nc(-c4cccnc4)no3)n2)c1 ZINC000124341227 886733214 /nfs/dbraw/zinc/73/32/14/886733214.db2.gz FGMYZMRWDODVPJ-QWHCGFSZSA-N 0 0 392.419 3.602 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)Cc2cccc(N(C)C)c2)c2ccccc2F)no1 ZINC000124483393 886755111 /nfs/dbraw/zinc/75/51/11/886755111.db2.gz QVZWTIXAWYSPGV-IBGZPJMESA-N 0 0 397.454 3.514 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000125409998 886863746 /nfs/dbraw/zinc/86/37/46/886863746.db2.gz UNWXKSWJCPJNER-RBBKRZOGSA-N 0 0 396.535 3.552 10 0 GHAERN CC[C@H](C)n1ncc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c1C1CC1 ZINC000125889651 886908422 /nfs/dbraw/zinc/90/84/22/886908422.db2.gz PCGPCNDCLALAFW-INIZCTEOSA-N 0 0 381.524 3.834 10 0 GHAERN Cn1cnnc1[C@H]1CCCN1C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 ZINC000125990550 886921697 /nfs/dbraw/zinc/92/16/97/886921697.db2.gz WBMXPEFHFNLJAL-PDFOZTTASA-N 0 0 393.422 3.518 10 0 GHAERN O=C(c1cc(N2CCCC2=O)ccc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000126352755 886960725 /nfs/dbraw/zinc/96/07/25/886960725.db2.gz FKHOVIPPZZYHCM-ZDUSSCGKSA-N 0 0 389.908 3.943 10 0 GHAERN CSc1cnn(-c2ccccc2)c1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000126814674 887007814 /nfs/dbraw/zinc/00/78/14/887007814.db2.gz TZKXAIJMFLBWLA-KRWDZBQOSA-N 0 0 395.488 3.674 10 0 GHAERN CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278579 887041382 /nfs/dbraw/zinc/04/13/82/887041382.db2.gz YQHFBBGXMLZWBL-HZPDHXFCSA-N 0 0 390.530 3.686 10 0 GHAERN COc1ccc([C@@H](NC(=O)NC2C3CC4CC(C3)CC2C4)c2nccn2C)cc1 ZINC000127310306 887050486 /nfs/dbraw/zinc/05/04/86/887050486.db2.gz VLKGHICKNVEMNS-YGMCOIPISA-N 0 0 394.519 3.642 10 0 GHAERN CCN(C(=O)NCc1cccnc1-n1cccn1)[C@H](C)c1cccc(OC)c1 ZINC000046094349 887142423 /nfs/dbraw/zinc/14/24/23/887142423.db2.gz GYQMRNSDJCQMHG-MRXNPFEDSA-N 0 0 379.464 3.569 10 0 GHAERN CC[C@@H](NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)c1c(C)noc1C ZINC000129672687 887335453 /nfs/dbraw/zinc/33/54/53/887335453.db2.gz AFBFVSQHXDXZDY-HNAYVOBHSA-N 0 0 387.480 3.959 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000130268022 887407727 /nfs/dbraw/zinc/40/77/27/887407727.db2.gz HDAWTZMJFLXLDO-YADHBBJMSA-N 0 0 388.511 3.926 10 0 GHAERN CCCNC(=O)c1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000131274616 887524760 /nfs/dbraw/zinc/52/47/60/887524760.db2.gz WWWMLGSARHIOEC-UHFFFAOYSA-N 0 0 386.521 3.678 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000131441775 887543320 /nfs/dbraw/zinc/54/33/20/887543320.db2.gz SKISJZBHXLUKFH-MOPGFXCFSA-N 0 0 398.528 3.637 10 0 GHAERN COc1ccc(-c2nc(CNC3(c4cccc(F)c4)CCOCC3)no2)cc1 ZINC000131705454 887568600 /nfs/dbraw/zinc/56/86/00/887568600.db2.gz MBASKWDWXDKJPW-UHFFFAOYSA-N 0 0 383.423 3.680 10 0 GHAERN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000132577246 887671067 /nfs/dbraw/zinc/67/10/67/887671067.db2.gz CYGONLXSPTVOEA-HNNXBMFYSA-N 0 0 396.878 3.909 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000133373604 887754640 /nfs/dbraw/zinc/75/46/40/887754640.db2.gz NASDLTQMMPKOOA-HNNXBMFYSA-N 0 0 393.443 3.628 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134347581 887862475 /nfs/dbraw/zinc/86/24/75/887862475.db2.gz STJMQNDTTHECAG-GUYCJALGSA-N 0 0 387.867 3.714 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000134430720 887872629 /nfs/dbraw/zinc/87/26/29/887872629.db2.gz BMGVJYYFCOITAJ-NPQIQWPPSA-N 0 0 398.469 3.743 10 0 GHAERN Cc1c(NC(=O)NC2CCN(c3ncccn3)CC2)cccc1C(F)(F)F ZINC000135229014 888225864 /nfs/dbraw/zinc/22/58/64/888225864.db2.gz WPTZFEDQAUNEAC-UHFFFAOYSA-N 0 0 379.386 3.594 10 0 GHAERN O=C(c1cccc(-n2cccn2)n1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000135496271 888244690 /nfs/dbraw/zinc/24/46/90/888244690.db2.gz QTXPUYYQZBURDA-GOSISDBHSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1)c1ccccc1 ZINC000054653527 888283569 /nfs/dbraw/zinc/28/35/69/888283569.db2.gz XQADIRSJCUSUPH-YADHBBJMSA-N 0 0 392.499 3.575 10 0 GHAERN O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137001979 888328362 /nfs/dbraw/zinc/32/83/62/888328362.db2.gz IZIBRMVSGIHUOQ-MRXNPFEDSA-N 0 0 381.354 3.708 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000137044356 888329386 /nfs/dbraw/zinc/32/93/86/888329386.db2.gz RPOPDZWLZDKMOW-GOSISDBHSA-N 0 0 377.448 3.569 10 0 GHAERN Cc1csc(N2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)n1 ZINC000055758932 888330925 /nfs/dbraw/zinc/33/09/25/888330925.db2.gz PSLMWZTZSYIEFP-UHFFFAOYSA-N 0 0 382.533 3.994 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CSCc1cn2cc(C)ccc2n1 ZINC000105336291 888346705 /nfs/dbraw/zinc/34/67/05/888346705.db2.gz KPISNJNNEGXQIZ-UHFFFAOYSA-N 0 0 383.517 3.586 10 0 GHAERN COc1ccc([C@@H](NC(=O)Nc2ccc(C)cc2OC)c2nccn2C)cc1 ZINC000056826813 888379938 /nfs/dbraw/zinc/37/99/38/888379938.db2.gz XYBANHUYQOJISR-LJQANCHMSA-N 0 0 380.448 3.657 10 0 GHAERN CSc1ccc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000056944103 888383778 /nfs/dbraw/zinc/38/37/78/888383778.db2.gz QPHAJIAARVCMQU-INIZCTEOSA-N 0 0 381.505 3.540 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2csc(C(F)(F)F)n2)C1 ZINC000193643741 888514172 /nfs/dbraw/zinc/51/41/72/888514172.db2.gz ZSJXKEMXCUSIHW-QWHCGFSZSA-N 0 0 398.406 3.581 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000193799210 888525129 /nfs/dbraw/zinc/52/51/29/888525129.db2.gz YWPBPIPFRZUGAX-AZUAARDMSA-N 0 0 393.487 3.503 10 0 GHAERN Cc1ccc(C(=O)N2CCSCC2)cc1OC(=O)[C@H]1CCCc2cccnc21 ZINC000194206260 888568029 /nfs/dbraw/zinc/56/80/29/888568029.db2.gz FHEFUDXMPONYOJ-SFHVURJKSA-N 0 0 396.512 3.605 10 0 GHAERN COc1cc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)ccc1Cl ZINC000194391214 888582436 /nfs/dbraw/zinc/58/24/36/888582436.db2.gz VRGCAAUCGHZTMX-UHFFFAOYSA-N 0 0 393.896 3.790 10 0 GHAERN COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C[C@H]2O ZINC000194568708 888595511 /nfs/dbraw/zinc/59/55/11/888595511.db2.gz JXKZGLKXTTWMBB-CKEIUWERSA-N 0 0 387.863 3.537 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000194659302 888604544 /nfs/dbraw/zinc/60/45/44/888604544.db2.gz WKMVUNPHOQSJEL-IAGOWNOFSA-N 0 0 386.377 3.706 10 0 GHAERN O=C(NC1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1)C1CCCCC1 ZINC000194757653 888617919 /nfs/dbraw/zinc/61/79/19/888617919.db2.gz ZBQSJVHYNVMRIW-FGZHOGPDSA-N 0 0 398.547 3.842 10 0 GHAERN CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)CC2 ZINC000195258240 888674374 /nfs/dbraw/zinc/67/43/74/888674374.db2.gz LZUVUCBRCZAYBC-RNOHYWCBSA-N 0 0 378.398 3.565 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CCO1 ZINC000245983032 890124701 /nfs/dbraw/zinc/12/47/01/890124701.db2.gz PPSNBPKXBSGNQU-QRVBRYPASA-N 0 0 399.539 3.602 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246280876 890931013 /nfs/dbraw/zinc/93/10/13/890931013.db2.gz AIYNMHGPLACPDY-KBAYOESNSA-N 0 0 397.437 3.996 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000068714128 891184721 /nfs/dbraw/zinc/18/47/21/891184721.db2.gz RGGJKUBZIMDBJZ-APWZRJJASA-N 0 0 375.513 3.556 10 0 GHAERN Fc1ccc(OCc2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246548496 891285295 /nfs/dbraw/zinc/28/52/95/891285295.db2.gz AWJFLBFKZXVABH-SJORKVTESA-N 0 0 380.510 3.568 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000247230761 891358050 /nfs/dbraw/zinc/35/80/50/891358050.db2.gz ZHSIQWUFVMGTNI-XUVXKRRUSA-N 0 0 388.508 3.709 10 0 GHAERN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247464697 891379306 /nfs/dbraw/zinc/37/93/06/891379306.db2.gz PUFORNXBIWPUDG-BBWFWOEESA-N 0 0 389.883 3.787 10 0 GHAERN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247565556 891386313 /nfs/dbraw/zinc/38/63/13/891386313.db2.gz RZNOFXLXBHESRK-QGTPRVQTSA-N 0 0 387.505 3.666 10 0 GHAERN O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247650154 891389315 /nfs/dbraw/zinc/38/93/15/891389315.db2.gz WKMCVISTNZKMIY-BBWFWOEESA-N 0 0 386.414 3.522 10 0 GHAERN Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000248721591 891461570 /nfs/dbraw/zinc/46/15/70/891461570.db2.gz MDAMDBLKAKDZBY-DENIHFKCSA-N 0 0 393.531 3.770 10 0 GHAERN CN(C(=O)NC1CCC(c2ccccc2)CC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152154933 892503776 /nfs/dbraw/zinc/50/37/76/892503776.db2.gz PEWIONQKKZQHOO-XVAXZDLZSA-N 0 0 393.535 3.813 10 0 GHAERN C[C@@H](CNC(=O)N1CCC(C(=O)N(C)C)CC1)c1c(Cl)cccc1Cl ZINC000102071162 897992161 /nfs/dbraw/zinc/99/21/61/897992161.db2.gz UHJLBMOAHOCMPZ-LBPRGKRZSA-N 0 0 386.323 3.607 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3ccc(N4CCC(C)=N4)cc3)C2)c1 ZINC000102384221 898007288 /nfs/dbraw/zinc/00/72/88/898007288.db2.gz NZLTZLREVWLUNK-GOSISDBHSA-N 0 0 392.503 3.538 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103237163 898075501 /nfs/dbraw/zinc/07/55/01/898075501.db2.gz VSKAEICXHLFIPB-OAHLLOKOSA-N 0 0 394.475 3.814 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000333196373 900027331 /nfs/dbraw/zinc/02/73/31/900027331.db2.gz UEIXNZZWGMUAQD-MWLKLMTCSA-N 0 0 389.496 3.871 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000333196022 900027445 /nfs/dbraw/zinc/02/74/45/900027445.db2.gz UDHLRLSICDJALX-BZZMCLGOSA-N 0 0 387.505 3.782 10 0 GHAERN CC1(C)CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC[S@]1=O ZINC000333616518 902226225 /nfs/dbraw/zinc/22/62/25/902226225.db2.gz OYELHDSSJVWFDZ-XGCWNURASA-N 0 0 390.549 3.766 10 0 GHAERN COc1ccc([C@H]2CCCCCN2C(=O)CN2NC(=O)CC23CCCCC3)cc1 ZINC000333819779 902347661 /nfs/dbraw/zinc/34/76/61/902347661.db2.gz IRTRUEWPIKGVSD-HXUWFJFHSA-N 0 0 399.535 3.579 10 0 GHAERN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333925969 902429809 /nfs/dbraw/zinc/42/98/09/902429809.db2.gz VAQJXYGBNQNKKZ-ZJOUEHCJSA-N 0 0 378.472 3.913 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000334095250 902547371 /nfs/dbraw/zinc/54/73/71/902547371.db2.gz RDDKZUKAVAQEJJ-QRVBRYPASA-N 0 0 390.549 3.669 10 0 GHAERN Cc1nc2ncnn2c(C)c1CCC(=O)OCCCc1ccc(OC(C)C)cc1 ZINC000103674832 904498512 /nfs/dbraw/zinc/49/85/12/904498512.db2.gz NYYHPQPYRWKLEN-UHFFFAOYSA-N 0 0 396.491 3.637 10 0 GHAERN CCCN(CCC)C(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000183071593 907322025 /nfs/dbraw/zinc/32/20/25/907322025.db2.gz OROAOJQFLHCZTO-GOSISDBHSA-N 0 0 398.511 3.826 10 0 GHAERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184689632 907640361 /nfs/dbraw/zinc/64/03/61/907640361.db2.gz WDDORNIMOGYAQU-LLVKDONJSA-N 0 0 380.330 3.724 10 0 GHAERN COc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186935208 908008815 /nfs/dbraw/zinc/00/88/15/908008815.db2.gz REIJFUXFMSAKRG-CJNGLKHVSA-N 0 0 375.494 3.774 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000189097713 908283717 /nfs/dbraw/zinc/28/37/17/908283717.db2.gz YVLXCWWOUNXTBG-VQTJNVASSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](c2cccc(Cl)c2)C(C)C)C1 ZINC000190005536 908401145 /nfs/dbraw/zinc/40/11/45/908401145.db2.gz PCAFRJWASFOIIV-BRWVUGGUSA-N 0 0 377.872 3.760 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000190026014 908406282 /nfs/dbraw/zinc/40/62/82/908406282.db2.gz ZJMIDLJKHNLQHG-DOMZBBRYSA-N 0 0 387.823 3.894 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)C1 ZINC000190051033 908412934 /nfs/dbraw/zinc/41/29/34/908412934.db2.gz RDTNCJWDSWVTTB-QZTJIDSGSA-N 0 0 399.491 3.664 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCSc2ccccc2Cl)C1 ZINC000190059753 908415821 /nfs/dbraw/zinc/41/58/21/908415821.db2.gz QVYOKECGUYQEHC-JSGCOSHPSA-N 0 0 381.885 3.502 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000190085526 908423320 /nfs/dbraw/zinc/42/33/20/908423320.db2.gz CFLSBMJBBQCGNN-VQIMIIECSA-N 0 0 387.443 3.955 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000190115173 908429427 /nfs/dbraw/zinc/42/94/27/908429427.db2.gz WYCDJMANRKRRCB-MSOLQXFVSA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000190114689 908429785 /nfs/dbraw/zinc/42/97/85/908429785.db2.gz AXJMOCWEOJKOLQ-APWZRJJASA-N 0 0 399.495 3.752 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000190129370 908434179 /nfs/dbraw/zinc/43/41/79/908434179.db2.gz XVSFBJRDRGLCFX-HIFRSBDPSA-N 0 0 399.451 3.811 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C1 ZINC000190134001 908435336 /nfs/dbraw/zinc/43/53/36/908435336.db2.gz WATXXLCSPFFTLT-RDJZCZTQSA-N 0 0 397.435 3.644 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Br)c2)C1 ZINC000190143119 908438473 /nfs/dbraw/zinc/43/84/73/908438473.db2.gz NJAQPJKPSIXWMK-BXUZGUMPSA-N 0 0 386.677 3.756 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCSc4ccccc43)CCO2)n1 ZINC000194019334 908909292 /nfs/dbraw/zinc/90/92/92/908909292.db2.gz NGPILMYEMFWQBE-LSDHHAIUSA-N 0 0 375.519 3.772 10 0 GHAERN O=C([C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCC[C@@H]1C1CCCC1 ZINC000363668653 918641108 /nfs/dbraw/zinc/64/11/08/918641108.db2.gz AORVJTUUNXVWPF-UXHICEINSA-N 0 0 397.567 3.636 10 0 GHAERN Cc1[nH]c(C[NH2+]C[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000686995115 976124615 /nfs/dbraw/zinc/12/46/15/976124615.db2.gz SDNARFSSMJTSGJ-OAHLLOKOSA-N 0 0 379.501 3.537 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccncc2)c2ccc(F)cc2C1 ZINC000184025895 1014570522 /nfs/dbraw/zinc/57/05/22/1014570522.db2.gz RTFJCUXDPSZOGF-RTWAWAEBSA-N 0 0 396.466 3.561 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC(C(C)C)CC2)c2ccc(F)cc2C1 ZINC000185253076 1014576929 /nfs/dbraw/zinc/57/69/29/1014576929.db2.gz FIDYUCFLHSBBHO-FQEVSTJZSA-N 0 0 375.488 3.697 10 0 GHAERN Cc1cnc(C(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)cn1 ZINC000014982529 210140099 /nfs/dbraw/zinc/14/00/99/210140099.db2.gz PODYFWUUIXKWGS-OAHLLOKOSA-N 0 0 385.876 3.900 10 0 GHAERN C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 ZINC000014424964 210116974 /nfs/dbraw/zinc/11/69/74/210116974.db2.gz XFCZRXNXYACPHR-MNOVXSKESA-N 0 0 391.254 3.855 10 0 GHAERN COC(=O)C[C@H](NC(=O)c1ccc(Br)cc1F)c1ccccc1 ZINC000012878768 210022340 /nfs/dbraw/zinc/02/23/40/210022340.db2.gz NNEJFKBIINFQLR-HNNXBMFYSA-N 0 0 380.213 3.622 10 0 GHAERN c1ccc(-c2cnnc(N3CCCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000012701905 209991834 /nfs/dbraw/zinc/99/18/34/209991834.db2.gz QNTIZQYGYLLYRB-UHFFFAOYSA-N 0 0 388.500 3.865 10 0 GHAERN COc1cccc(-c2cc3c(c(OC)c2)OCCN(C(=O)c2ccco2)C3)c1 ZINC000012456737 209960631 /nfs/dbraw/zinc/96/06/31/209960631.db2.gz DBXUNKSNHXSXSL-UHFFFAOYSA-N 0 0 379.412 3.999 10 0 GHAERN CSCC(=O)NC[C@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1 ZINC000012152266 209914836 /nfs/dbraw/zinc/91/48/36/209914836.db2.gz QMBFXYFANHQOCN-QGZVFWFLSA-N 0 0 382.460 3.824 10 0 GHAERN O=C(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1 ZINC000006775273 209683803 /nfs/dbraw/zinc/68/38/03/209683803.db2.gz BXXAMBJDNVLJPU-JOCHJYFZSA-N 0 0 377.419 3.588 10 0 GHAERN CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 ZINC000006625056 209662307 /nfs/dbraw/zinc/66/23/07/209662307.db2.gz LGIVGJWHJOTWPA-XNTDXEJSSA-N 0 0 380.469 3.742 10 0 GHAERN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1nc2c(s1)CCCC2 ZINC000006342524 209645350 /nfs/dbraw/zinc/64/53/50/209645350.db2.gz KBUCAWMRBXKWCU-UHFFFAOYSA-N 0 0 396.468 3.635 10 0 GHAERN CCOC(=O)Nc1cc2c(nnn2C(c2ccccc2)c2ccccc2)c(N)n1 ZINC000031671962 209244788 /nfs/dbraw/zinc/24/47/88/209244788.db2.gz ALKNBVCYMZKHPP-UHFFFAOYSA-N 0 0 388.431 3.615 10 0 GHAERN COc1ccc(NC(=O)/C(Cl)=C(\Cl)[S@@](=O)Cc2ccc(C)cc2)cn1 ZINC000005738555 209231468 /nfs/dbraw/zinc/23/14/68/209231468.db2.gz UKBGNIASULYWLD-UPTOSOBMSA-N 0 0 399.299 3.933 10 0 GHAERN O=C(OCc1ccccc1)N1CCC(=O)[C@@H]1Cc1ccc(Br)cc1 ZINC000261507795 209224618 /nfs/dbraw/zinc/22/46/18/209224618.db2.gz MKKLOMJZPDZCON-KRWDZBQOSA-N 0 0 388.261 3.972 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccc(Br)cc1 ZINC000056825148 209214074 /nfs/dbraw/zinc/21/40/74/209214074.db2.gz AEPRYJSFARPENM-SWLSCSKDSA-N 0 0 391.265 3.524 10 0 GHAERN CCOC(=O)CCC(=O)Nc1cnc(C)n1-c1nc(-c2ccccc2)cs1 ZINC000032642115 209181102 /nfs/dbraw/zinc/18/11/02/209181102.db2.gz OWFVCQHRCHLSQY-UHFFFAOYSA-N 0 0 384.461 3.586 10 0 GHAERN CCOc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(F)cc2F)C(C)C)cc1 ZINC000008478350 212074421 /nfs/dbraw/zinc/07/44/21/212074421.db2.gz APJZRIJBLDIWNO-GOSISDBHSA-N 0 0 376.403 3.757 10 0 GHAERN CCOc1cc2nccc(Oc3cnc(CC(=O)OC)c(OC)c3)c2cc1OC ZINC000098178357 211380687 /nfs/dbraw/zinc/38/06/87/211380687.db2.gz WIKFPLHUSLAYQW-UHFFFAOYSA-N 0 0 398.415 3.554 10 0 GHAERN Cc1ccc(C(=O)N2CCC(c3nc(CNC(=O)C4CC4)cs3)CC2)cc1C ZINC000096372606 211335888 /nfs/dbraw/zinc/33/58/88/211335888.db2.gz RRDIRCDYAZJTOY-UHFFFAOYSA-N 0 0 397.544 3.806 10 0 GHAERN CC(C)(C)OC(=O)c1nccc(CC(=O)c2cccc(Br)c2)c1N ZINC000095934547 211284341 /nfs/dbraw/zinc/28/43/41/211284341.db2.gz RNTKWPCNFVDYOC-UHFFFAOYSA-N 0 0 391.265 3.807 10 0 GHAERN O=C(Oc1ccc(I)cc1)c1cc(F)c(F)c(F)c1 ZINC000095932814 211283656 /nfs/dbraw/zinc/28/36/56/211283656.db2.gz FFSPMKHPLGWJGQ-UHFFFAOYSA-N 0 0 378.087 3.928 10 0 GHAERN CC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1 ZINC000065173403 210972658 /nfs/dbraw/zinc/97/26/58/210972658.db2.gz NZBPIRDTJSMCNH-UHFFFAOYSA-N 0 0 391.562 3.539 10 0 GHAERN COc1cc(-c2cc(CN(C(=O)C(C)C)C(C)C)no2)cc(OC)c1OC ZINC000040392317 210786532 /nfs/dbraw/zinc/78/65/32/210786532.db2.gz HOPVRFJHXWIWRJ-UHFFFAOYSA-N 0 0 376.453 3.760 10 0 GHAERN CCOC(=O)c1ccccc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccco1 ZINC000021105392 210375987 /nfs/dbraw/zinc/37/59/87/210375987.db2.gz BZRDUOBIENRDNE-LJQANCHMSA-N 0 0 377.400 3.618 10 0 GHAERN CCCCN1CN(CO)C(=S)N(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000020582865 210349577 /nfs/dbraw/zinc/34/95/77/210349577.db2.gz GXUKTSDCQWXFMH-UHFFFAOYSA-N 0 0 381.851 3.733 10 0 GHAERN CC[C@H](C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2c1C ZINC000020115762 210318170 /nfs/dbraw/zinc/31/81/70/210318170.db2.gz PMUIKAYRYOPJPK-KGLIPLIRSA-N 0 0 392.521 3.690 10 0 GHAERN CN1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)CC1 ZINC000039380977 136153697 /nfs/dbraw/zinc/15/36/97/136153697.db2.gz JZGAOIRKSAPCBY-UHFFFAOYSA-N 0 0 389.381 3.569 10 0 GHAERN Cc1noc2nc(CCC(=O)N3CCCCCC3)nc(N3C[C@H](C)C[C@@H](C)C3)c12 ZINC000065056656 136158952 /nfs/dbraw/zinc/15/89/52/136158952.db2.gz ZRJIOGNCHNNEQS-HZPDHXFCSA-N 0 0 399.539 3.744 10 0 GHAERN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=S)N1CCCCC1 ZINC000085344975 521369409 /nfs/dbraw/zinc/36/94/09/521369409.db2.gz WSYLFFIXUFREFY-UHFFFAOYSA-N 0 0 391.493 3.545 10 0 GHAERN CCc1ncnc(N2CCC3(C[C@@H]3N(Cc3ccsc3)C(C)=O)CC2)c1F ZINC000275737526 522607170 /nfs/dbraw/zinc/60/71/70/522607170.db2.gz PKKXNIDAPQWNNJ-KRWDZBQOSA-N 0 0 388.512 3.647 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087106 534899125 /nfs/dbraw/zinc/89/91/25/534899125.db2.gz MKEACGPDYBUKAU-HNNXBMFYSA-N 0 0 383.496 3.698 10 0 GHAERN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2c(F)cccc2F)C1 ZINC000086077234 537135325 /nfs/dbraw/zinc/13/53/25/537135325.db2.gz NHJSFUONIDGJGJ-CYBMUJFWSA-N 0 0 398.413 3.772 10 0 GHAERN CN(C)c1ccc(-c2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)cc1 ZINC000006781126 570283679 /nfs/dbraw/zinc/28/36/79/570283679.db2.gz YPBXETHGDZOHAS-UHFFFAOYSA-N 0 0 395.466 3.826 10 0 GHAERN COc1ccc2nc(NC(=O)c3ccc(NC(=O)[C@@H]4CCCO4)cc3)sc2c1 ZINC000004875509 570353088 /nfs/dbraw/zinc/35/30/88/570353088.db2.gz NOGIZBRUZCXETN-INIZCTEOSA-N 0 0 397.456 3.675 10 0 GHAERN CCc1csc2nc(C)c(NC(=O)c3ccccc3C(F)(F)F)c(=O)n12 ZINC000064567027 570482152 /nfs/dbraw/zinc/48/21/52/570482152.db2.gz PIZIWLGWOPITSZ-UHFFFAOYSA-N 0 0 381.379 3.898 10 0 GHAERN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2)C2CC2)c1C ZINC000035993299 570506051 /nfs/dbraw/zinc/50/60/51/570506051.db2.gz IRZHOIBQKJVDHE-OAHLLOKOSA-N 0 0 382.460 3.684 10 0 GHAERN CC(C)CNC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036048919 570521437 /nfs/dbraw/zinc/52/14/37/570521437.db2.gz SZYHHKBWRVPHOG-WOJBJXKFSA-N 0 0 386.442 3.593 10 0 GHAERN COc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C[C@H]2CCCO2)cc1OC ZINC000036156203 570553603 /nfs/dbraw/zinc/55/36/03/570553603.db2.gz CAUZHYYMDVQTCY-QGZVFWFLSA-N 0 0 389.492 3.705 10 0 GHAERN COc1cc(OC)cc(C(=O)N2CCC[C@H](OCc3ccc(F)cc3F)C2)c1 ZINC000036315072 570613999 /nfs/dbraw/zinc/61/39/99/570613999.db2.gz GASLPMILTJJVMS-KRWDZBQOSA-N 0 0 391.414 3.803 10 0 GHAERN CCCOC(=O)c1cc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)ccc1Cl ZINC000005431088 570662513 /nfs/dbraw/zinc/66/25/13/570662513.db2.gz ROQWMUVYMUOSQS-ZROIWOOFSA-N 0 0 390.848 3.512 10 0 GHAERN CCC(=O)NCCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1 ZINC000065173398 570721310 /nfs/dbraw/zinc/72/13/10/570721310.db2.gz IKOWRVLQAJZURU-UHFFFAOYSA-N 0 0 385.533 3.540 10 0 GHAERN Cc1ccc(CN2CCc3c(cc(C(=O)N[C@@H](C)c4ccccn4)n3C)C2)cc1 ZINC000065307380 570788692 /nfs/dbraw/zinc/78/86/92/570788692.db2.gz QMWYPHDYTHCQNB-SFHVURJKSA-N 0 0 388.515 3.778 10 0 GHAERN Cc1nc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)nn1-c1c(Cl)cccc1Cl ZINC000102908254 837403195 /nfs/dbraw/zinc/40/31/95/837403195.db2.gz BMAMAXLOCZFZPA-GJZGRUSLSA-N 0 0 395.290 3.666 10 0 GHAERN O=C(c1cscc1Br)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000287507511 837571287 /nfs/dbraw/zinc/57/12/87/837571287.db2.gz OAJGTRXMQAGHBN-ZDUSSCGKSA-N 0 0 395.326 3.806 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1ccccc1COC1CCOCC1 ZINC000156544571 834430507 /nfs/dbraw/zinc/43/05/07/834430507.db2.gz VCOUOVVDIZHBJM-UHFFFAOYSA-N 0 0 379.416 3.685 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCC(Cc3nccn3C)CC2)s1 ZINC000156747334 834536585 /nfs/dbraw/zinc/53/65/85/834536585.db2.gz ICUVPFGRZFCUBQ-UHFFFAOYSA-N 0 0 376.530 3.662 10 0 GHAERN Cc1sc2nc(CN3CCC[C@H]3C[C@H](O)c3ccccc3)[nH]c(=O)c2c1C ZINC000163182461 834628568 /nfs/dbraw/zinc/62/85/68/834628568.db2.gz AMZCJHCHIJUNFZ-IRXDYDNUSA-N 0 0 383.517 3.690 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000110894774 834800644 /nfs/dbraw/zinc/80/06/44/834800644.db2.gz QXPYSKWVFTWACM-MRXNPFEDSA-N 0 0 382.508 3.945 10 0 GHAERN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000068437274 834981150 /nfs/dbraw/zinc/98/11/50/834981150.db2.gz WRHCSMGKDSDVQK-UONOGXRCSA-N 0 0 390.281 3.623 10 0 GHAERN C[C@H](OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)c1c(F)cccc1F ZINC000588616535 835051930 /nfs/dbraw/zinc/05/19/30/835051930.db2.gz YCXMKEWZIKXBGG-KGTBHZDVSA-N 0 0 381.400 3.654 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000157746616 835080433 /nfs/dbraw/zinc/08/04/33/835080433.db2.gz AEMBTMVDLGVPDJ-UHFFFAOYSA-N 0 0 394.450 3.512 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000246798220 835089043 /nfs/dbraw/zinc/08/90/43/835089043.db2.gz AGARPNDYBAWSOF-KURKYZTESA-N 0 0 389.565 3.586 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3ccc(Br)cc3F)CC2)nc1 ZINC000157864212 835129779 /nfs/dbraw/zinc/12/97/79/835129779.db2.gz XYEVTVVIXZHODD-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000246900477 835133191 /nfs/dbraw/zinc/13/31/91/835133191.db2.gz FGOHYORRCNTNCD-DHSIGJKJSA-N 0 0 381.314 3.847 10 0 GHAERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000157875068 835133430 /nfs/dbraw/zinc/13/34/30/835133430.db2.gz FYCBNIJBVDWNIR-SFHVURJKSA-N 0 0 398.551 3.521 10 0 GHAERN CCc1nnc(C2CCN(C(=O)C=C(C)c3ccccc3OC(F)F)CC2)[nH]1 ZINC000588584513 835135661 /nfs/dbraw/zinc/13/56/61/835135661.db2.gz KBJCFLNIYCGNGT-SEYXRHQNSA-N 0 0 390.434 3.778 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CCO2)o1 ZINC000158613993 835463998 /nfs/dbraw/zinc/46/39/98/835463998.db2.gz SYBLLFZDHJKNID-CYBMUJFWSA-N 0 0 394.225 3.567 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)CSc3nncn3C(C)C)C2)n1 ZINC000329681594 835670473 /nfs/dbraw/zinc/67/04/73/835670473.db2.gz WYYDVSANKHZFAB-AWEZNQCLSA-N 0 0 393.582 3.937 10 0 GHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 ZINC000101899550 835720156 /nfs/dbraw/zinc/72/01/56/835720156.db2.gz ZONYGPYTJWLLDL-WEVVVXLNSA-N 0 0 387.439 3.573 10 0 GHAERN Clc1ccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@H]5CO4)no3)no2)cc1 ZINC000329742209 835847946 /nfs/dbraw/zinc/84/79/46/835847946.db2.gz WJHASCPNXZLCCU-YOEHRIQHSA-N 0 0 386.839 3.971 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246268438 836155500 /nfs/dbraw/zinc/15/55/00/836155500.db2.gz AVTAHMUQJYNMDO-QLFBSQMISA-N 0 0 391.302 3.672 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1cc(Br)cs1)C2 ZINC000112744305 836279276 /nfs/dbraw/zinc/27/92/76/836279276.db2.gz QCRBCXDFMFTJTF-UHFFFAOYSA-N 0 0 397.342 3.635 10 0 GHAERN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000247040835 836411617 /nfs/dbraw/zinc/41/16/17/836411617.db2.gz UOFASRUZQKUFHD-WRWLIDTKSA-N 0 0 385.508 3.780 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@H]3c3ccc(C(C)C)cc3)C2)nn1 ZINC000332853927 836767174 /nfs/dbraw/zinc/76/71/74/836767174.db2.gz PCJPUMPPMIWHKM-ACRUOGEOSA-N 0 0 378.520 3.797 10 0 GHAERN Cc1cccc(-c2noc(CS(=O)(=O)Cc3ncc(-c4ccccc4)o3)n2)c1 ZINC000102948635 837247392 /nfs/dbraw/zinc/24/73/92/837247392.db2.gz HWVORGNVSNWSMJ-UHFFFAOYSA-N 0 0 395.440 3.815 10 0 GHAERN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000105244679 837972319 /nfs/dbraw/zinc/97/23/19/837972319.db2.gz MPYJGOYMGOSRNR-VQTJNVASSA-N 0 0 377.573 3.881 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)o1 ZINC000408052028 838003454 /nfs/dbraw/zinc/00/34/54/838003454.db2.gz MVLCICMROMJFDA-AWEZNQCLSA-N 0 0 394.884 3.508 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330192982 838900953 /nfs/dbraw/zinc/90/09/53/838900953.db2.gz AEBGAOLQYAGXQF-KZULUSFZSA-N 0 0 394.928 3.961 10 0 GHAERN O=C([C@H]1CCN(c2ccc(F)c(F)c2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000115364656 839124224 /nfs/dbraw/zinc/12/42/24/839124224.db2.gz ADJDYKJASUMTTG-XJKSGUPXSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)C2)n1 ZINC000116773130 839414644 /nfs/dbraw/zinc/41/46/44/839414644.db2.gz FWIRZNYIYHIXFG-QGZVFWFLSA-N 0 0 386.544 3.522 10 0 GHAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)c1ccc2ccccc2c1 ZINC000332779227 844566143 /nfs/dbraw/zinc/56/61/43/844566143.db2.gz DDZSJYIDCKBISL-YSSFQJQWSA-N 0 0 386.517 3.652 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)CC(C)(C)C1 ZINC000183962641 840723315 /nfs/dbraw/zinc/72/33/15/840723315.db2.gz PNSHWCLVRAHXBI-IAGOWNOFSA-N 0 0 390.572 3.864 10 0 GHAERN CC(C)(CC(=O)N1CCC[C@H](Cc2nnc3ccccn32)C1)c1ccccc1 ZINC000364081410 840727465 /nfs/dbraw/zinc/72/74/65/840727465.db2.gz OUDLHCAUWGJHIL-GOSISDBHSA-N 0 0 376.504 3.878 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@H](c2ccc(Cl)cc2F)C(C)C)c1 ZINC000588420087 841838697 /nfs/dbraw/zinc/83/86/97/841838697.db2.gz QVOHJSULGTZTFY-OCTSTCLRSA-N 0 0 389.858 3.760 10 0 GHAERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000408180903 841864662 /nfs/dbraw/zinc/86/46/62/841864662.db2.gz XFVCTXHGLIAXIH-ZDUSSCGKSA-N 0 0 383.853 3.538 10 0 GHAERN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408182367 841902875 /nfs/dbraw/zinc/90/28/75/841902875.db2.gz JMBTYSVNMALQBN-GSEOLPGOSA-N 0 0 391.943 3.644 10 0 GHAERN Fc1cc2ncnc(N3CCC[C@@H](c4nnc5n4CCCCC5)C3)c2cc1F ZINC000408187980 842102209 /nfs/dbraw/zinc/10/22/09/842102209.db2.gz BQDVULDPICCGNW-CYBMUJFWSA-N 0 0 384.434 3.610 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000153864987 842239324 /nfs/dbraw/zinc/23/93/24/842239324.db2.gz KVGBIMXYGPEQKR-YADHBBJMSA-N 0 0 382.479 3.517 10 0 GHAERN COc1c2cnn(C)c2ncc1C(=O)OC/C=C\c1cccc(C(F)(F)F)c1 ZINC000588429782 842265765 /nfs/dbraw/zinc/26/57/65/842265765.db2.gz ZFICCKDIKBXJTF-XQRVVYSFSA-N 0 0 391.349 3.866 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)/C=C\c2cnc3ccccc3n2)c1 ZINC000588433232 842409736 /nfs/dbraw/zinc/40/97/36/842409736.db2.gz JIALCRXWFRLVON-QXMHVHEDSA-N 0 0 375.428 3.777 10 0 GHAERN O=C(/C=C/c1ccncn1)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000588437015 842590053 /nfs/dbraw/zinc/59/00/53/842590053.db2.gz LSGKFBQRVUBZBL-SQUSKLHYSA-N 0 0 387.418 3.536 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N2CCC(c3nnc4ccccn43)CC2)cc1F ZINC000588444801 842801041 /nfs/dbraw/zinc/80/10/41/842801041.db2.gz HCUOYHGXAQJRPK-SQFISAMPSA-N 0 0 394.450 3.687 10 0 GHAERN Cc1ccccc1-c1nc(C(=O)N2CCC(Cc3nccn3C)CC2)cs1 ZINC000162363816 843239692 /nfs/dbraw/zinc/23/96/92/843239692.db2.gz YHVMOCLOJIRAER-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN COCCOc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1OC ZINC000162542657 843271909 /nfs/dbraw/zinc/27/19/09/843271909.db2.gz HPFYTIYMNYRFNT-YCRPNKLZSA-N 0 0 396.491 3.587 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000162546699 843273146 /nfs/dbraw/zinc/27/31/46/843273146.db2.gz RZSLJGNNNYOYNM-KRWDZBQOSA-N 0 0 379.426 3.937 10 0 GHAERN CCN(Cc1cccc(NC(=O)/C=C\c2ncccc2C)c1)C(=O)C(F)(F)F ZINC000588452044 843308483 /nfs/dbraw/zinc/30/84/83/843308483.db2.gz TZSCTSVGKGZPPQ-KTKRTIGZSA-N 0 0 391.393 3.953 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000588452549 843310803 /nfs/dbraw/zinc/31/08/03/843310803.db2.gz BSCKDVROBHXYEB-KTKRTIGZSA-N 0 0 395.466 3.967 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c12 ZINC000121588476 843464436 /nfs/dbraw/zinc/46/44/36/843464436.db2.gz WTSMFQWORRIXJU-UZUQRXQVSA-N 0 0 391.471 3.965 10 0 GHAERN C[C@@]1(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)CCc2ccccc2C1 ZINC000408240647 843525710 /nfs/dbraw/zinc/52/57/10/843525710.db2.gz FCRKDJCJGQIHFD-XMMPIXPASA-N 0 0 397.563 3.805 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259408 843624466 /nfs/dbraw/zinc/62/44/66/843624466.db2.gz KXWBGLLRPKQJFM-JTSKRJEESA-N 0 0 384.524 3.508 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)cc1 ZINC000330321143 843677369 /nfs/dbraw/zinc/67/73/69/843677369.db2.gz SCEZQTLGCJNBNX-OXJNMPFZSA-N 0 0 384.501 3.810 10 0 GHAERN CCN(CC)C(=O)N1CCC(c2nc(CO[C@@H]3CCCC[C@H]3C)no2)CC1 ZINC000329451507 861457131 /nfs/dbraw/zinc/45/71/31/861457131.db2.gz CSYRVIYEKPXSAQ-NVXWUHKLSA-N 0 0 378.517 3.806 10 0 GHAERN Cc1cccc(C(=O)N2CCCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)c1 ZINC000125099617 843794911 /nfs/dbraw/zinc/79/49/11/843794911.db2.gz JBGAGLIBEPTKIC-QFIPXVFZSA-N 0 0 391.515 3.930 10 0 GHAERN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408407051 843946459 /nfs/dbraw/zinc/94/64/59/843946459.db2.gz PGWUOYOMPFZFEO-YJYMSZOUSA-N 0 0 394.302 3.946 10 0 GHAERN CCOC(=O)C[C@H](OC(=O)/C=C\c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000588473450 844648750 /nfs/dbraw/zinc/64/87/50/844648750.db2.gz BPHHCULDSGBIHD-SVEBXFOSSA-N 0 0 379.334 3.750 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000151656174 845420028 /nfs/dbraw/zinc/42/00/28/845420028.db2.gz YJCRZNYFGQLBEV-JOZWUWCOSA-N 0 0 376.407 3.667 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)C1 ZINC000248960647 845481371 /nfs/dbraw/zinc/48/13/71/845481371.db2.gz MOBBFPQDZJCWLC-LVQVYYBASA-N 0 0 396.274 3.777 10 0 GHAERN C[C@@H](NC(=O)Nc1cc([C@@H]2CCCO2)nn1C)c1cccc(Br)c1 ZINC000333021708 845588496 /nfs/dbraw/zinc/58/84/96/845588496.db2.gz JIRXXFKIWRBLSR-ABAIWWIYSA-N 0 0 393.285 3.917 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccc(S(C)(=O)=O)c3)C2)cc1 ZINC000151739585 845637020 /nfs/dbraw/zinc/63/70/20/845637020.db2.gz LYMHYDJBNZFBGB-HOCLYGCPSA-N 0 0 388.489 3.509 10 0 GHAERN Cc1c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2cnccc21 ZINC000333507330 845651770 /nfs/dbraw/zinc/65/17/70/845651770.db2.gz LIDWKYMOQPZKEX-KTASIVBBSA-N 0 0 387.487 3.632 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)C1 ZINC000329541222 861625282 /nfs/dbraw/zinc/62/52/82/861625282.db2.gz DGSAUOHJQYFJNG-DLBZAZTESA-N 0 0 377.554 3.505 10 0 GHAERN C[C@H]1CN(C(=O)c2cccc(CN3CCCC3=O)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000152171937 846327529 /nfs/dbraw/zinc/32/75/29/846327529.db2.gz SYWPQMISZFXSNR-HRAATJIYSA-N 0 0 396.462 3.550 10 0 GHAERN O=C(Nc1ccccc1SC(F)F)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152543764 847302726 /nfs/dbraw/zinc/30/27/26/847302726.db2.gz VMRPOXYKDHPLDO-UHFFFAOYSA-N 0 0 391.443 3.887 10 0 GHAERN C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000152918727 847903618 /nfs/dbraw/zinc/90/36/18/847903618.db2.gz CPVBIEDXVLSHFO-OXQOHEQNSA-N 0 0 381.476 3.526 10 0 GHAERN CC(=O)N1CCN(c2cccc(NC(=O)/C=C\c3ccccc3Cl)c2)CC1 ZINC000588537700 848010998 /nfs/dbraw/zinc/01/09/98/848010998.db2.gz LAIBPLKOXKJKSL-KTKRTIGZSA-N 0 0 383.879 3.660 10 0 GHAERN COc1cc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c(OC)cc1Cl ZINC000153067866 848081973 /nfs/dbraw/zinc/08/19/73/848081973.db2.gz PVYMVGWLXNCANV-QGZVFWFLSA-N 0 0 380.828 3.864 10 0 GHAERN C[C@H](NC(=O)[C@H](C)OC1CCCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000119896455 848459794 /nfs/dbraw/zinc/45/97/94/848459794.db2.gz MNJKJZPSRDPKJO-KBPBESRZSA-N 0 0 385.501 3.534 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)C2)sc1C ZINC000329657805 861920868 /nfs/dbraw/zinc/92/08/68/861920868.db2.gz NCEBQDHRRVUNLI-ZIAGYGMSSA-N 0 0 392.550 3.741 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CCO[C@@H](c2ccc(C)o2)C1 ZINC000153700669 848933683 /nfs/dbraw/zinc/93/36/83/848933683.db2.gz KLIWKGYOGVOIDP-LJQANCHMSA-N 0 0 385.464 3.675 10 0 GHAERN COc1ccc(Br)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153836418 849054094 /nfs/dbraw/zinc/05/40/94/849054094.db2.gz HKDROUVYONPABO-MRXNPFEDSA-N 0 0 395.253 3.965 10 0 GHAERN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)/C=C\c1cnc2ccccc2n1 ZINC000588569263 849369917 /nfs/dbraw/zinc/36/99/17/849369917.db2.gz MDQUNRQXZVUSCL-BLIJAFNYSA-N 0 0 376.435 3.519 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)C2)c1 ZINC000155521671 849544967 /nfs/dbraw/zinc/54/49/67/849544967.db2.gz BNOWEUPOYYPYKP-ACJLOTCBSA-N 0 0 388.489 3.642 10 0 GHAERN C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@H](c2ccsc2)O1 ZINC000155553832 849553703 /nfs/dbraw/zinc/55/37/03/849553703.db2.gz QJLMUZXUZSEKCU-SRCQZFHVSA-N 0 0 388.514 3.540 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000333682721 850395840 /nfs/dbraw/zinc/39/58/40/850395840.db2.gz AWSZDZMUHCQRIQ-TVFCKZIOSA-N 0 0 390.549 3.513 10 0 GHAERN C[C@@H](Nc1nc2ccccc2nc1N1CCCCC1)c1nnc2n1CCCC2 ZINC000329700881 862153753 /nfs/dbraw/zinc/15/37/53/862153753.db2.gz HDFGHLUXEVKECY-OAHLLOKOSA-N 0 0 377.496 3.721 10 0 GHAERN O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003608132 851128817 /nfs/dbraw/zinc/12/88/17/851128817.db2.gz LRBBIPJQGFJDDA-HXUWFJFHSA-N 0 0 388.398 3.672 10 0 GHAERN CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000329656544 851431077 /nfs/dbraw/zinc/43/10/77/851431077.db2.gz MOVIAQUHVSGUFW-RDJZCZTQSA-N 0 0 377.554 3.620 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)NCC(=O)Nc2cccc3ccccc32)cc1F ZINC000101605229 851725079 /nfs/dbraw/zinc/72/50/79/851725079.db2.gz PXDCVNYMVYACET-CQSZACIVSA-N 0 0 395.434 3.986 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@@H]1CCOC1 ZINC000329739615 862276854 /nfs/dbraw/zinc/27/68/54/862276854.db2.gz NNBPIYPMHUCXKC-ULQDDVLXSA-N 0 0 376.545 3.612 10 0 GHAERN COc1ccc(CCNC(=O)N(C)Cc2ccc(F)cc2)cc1OC(F)F ZINC000101616675 851755828 /nfs/dbraw/zinc/75/58/28/851755828.db2.gz HJKLLODQRLQVRQ-UHFFFAOYSA-N 0 0 382.382 3.820 10 0 GHAERN O=C(Nc1ccccc1F)Nc1cccc2c1CCCN2CC1(O)CCOCC1 ZINC000121355661 851802004 /nfs/dbraw/zinc/80/20/04/851802004.db2.gz GNYZSHNMWSFCDL-UHFFFAOYSA-N 0 0 399.466 3.764 10 0 GHAERN c1nc(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3CN4CCC[C@@H]4CO3)no1)CC2 ZINC000329747801 862287962 /nfs/dbraw/zinc/28/79/62/862287962.db2.gz ZPUICDTWBZKXTK-ZHALLVOQSA-N 0 0 397.523 3.580 10 0 GHAERN Cc1ccc(SCCNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000101775220 851899751 /nfs/dbraw/zinc/89/97/51/851899751.db2.gz AUQDAEWRLYTXDB-KRWDZBQOSA-N 0 0 391.581 3.669 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)n1 ZINC000101777961 851900677 /nfs/dbraw/zinc/90/06/77/851900677.db2.gz DKHSXHFYMFOLBK-HXUWFJFHSA-N 0 0 376.416 3.756 10 0 GHAERN Cc1cccc(CNC(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)n1 ZINC000101797826 851916217 /nfs/dbraw/zinc/91/62/17/851916217.db2.gz QVSPVMZBWDPDAJ-OAQYLSRUSA-N 0 0 385.471 3.866 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000102033529 852102822 /nfs/dbraw/zinc/10/28/22/852102822.db2.gz JMCXQNZKOPVKPL-UHFFFAOYSA-N 0 0 399.838 3.648 10 0 GHAERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)n1 ZINC000334072899 853903727 /nfs/dbraw/zinc/90/37/27/853903727.db2.gz IDPDIUMPMCPXGZ-ILXRZTDVSA-N 0 0 376.482 3.596 10 0 GHAERN O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003608130 862516665 /nfs/dbraw/zinc/51/66/65/862516665.db2.gz LRBBIPJQGFJDDA-FQEVSTJZSA-N 0 0 388.398 3.672 10 0 GHAERN Cn1c(=O)oc2ccc(NC(=O)C(C)(C)c3cccc(Br)c3)cc21 ZINC000102291778 854275398 /nfs/dbraw/zinc/27/53/98/854275398.db2.gz OPZOISAVAOPZKY-UHFFFAOYSA-N 0 0 389.249 3.810 10 0 GHAERN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123532517 854426333 /nfs/dbraw/zinc/42/63/33/854426333.db2.gz RBSFWTWLFMJCSR-IRFCIJBXSA-N 0 0 378.472 3.781 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)CCN2c3ccccc3O[C@@H](C)C2=O)n1 ZINC000328822116 854551277 /nfs/dbraw/zinc/55/12/77/854551277.db2.gz FZZAFHSNPWUPJH-DOTOQJQBSA-N 0 0 399.516 3.709 10 0 GHAERN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000328861350 854583454 /nfs/dbraw/zinc/58/34/54/854583454.db2.gz FGLWIVMRXKWGJG-CQEYOHBHSA-N 0 0 381.497 3.652 10 0 GHAERN C[C@H](NC(=O)NCC1CCC(C)(C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000127205667 854943794 /nfs/dbraw/zinc/94/37/94/854943794.db2.gz JYPQGYDGWFYENS-ZDUSSCGKSA-N 0 0 384.517 3.806 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000190022410 855407673 /nfs/dbraw/zinc/40/76/73/855407673.db2.gz SBNCZKZZWPADNL-OALUTQOASA-N 0 0 383.492 3.877 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C[C@@H]1C ZINC000190105304 855417056 /nfs/dbraw/zinc/41/70/56/855417056.db2.gz DFUZVFAWTOWKBJ-STQMWFEESA-N 0 0 383.286 3.729 10 0 GHAERN CC[C@H](NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1)c1cccs1 ZINC000057243965 855430989 /nfs/dbraw/zinc/43/09/89/855430989.db2.gz XZJQWGZBTFZNBT-INIZCTEOSA-N 0 0 387.553 3.953 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@@H]1c3ccccc3CCC1(C)C)CC2 ZINC000181673018 855583281 /nfs/dbraw/zinc/58/32/81/855583281.db2.gz VUTAQHWPNABPMK-VQIMIIECSA-N 0 0 381.524 3.729 10 0 GHAERN CC(C)[C@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1 ZINC000041787886 856325553 /nfs/dbraw/zinc/32/55/53/856325553.db2.gz QMHCIOZONQXRKY-IBGZPJMESA-N 0 0 399.560 3.853 10 0 GHAERN C[C@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(-n2ccnc2)c1 ZINC000185778003 856426309 /nfs/dbraw/zinc/42/63/09/856426309.db2.gz YECYWIGUCHFFFS-GAJHUEQPSA-N 0 0 388.471 3.774 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cccc3ccccc31)CC2 ZINC000172606732 858390354 /nfs/dbraw/zinc/39/03/54/858390354.db2.gz LFMQOIMHVSRQOE-GOSISDBHSA-N 0 0 377.492 3.711 10 0 GHAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000267424292 859164424 /nfs/dbraw/zinc/16/44/24/859164424.db2.gz QGOZQQLGNFMVQA-FQEVSTJZSA-N 0 0 378.520 3.790 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)c1nnc2n1CCCC2 ZINC000135375527 859498570 /nfs/dbraw/zinc/49/85/70/859498570.db2.gz YLNASRLVRUAAFW-NILFDRSVSA-N 0 0 378.398 3.614 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156039891 859614740 /nfs/dbraw/zinc/61/47/40/859614740.db2.gz JBAYHFLGGJMMQX-RGYTYGDFSA-N 0 0 392.368 3.905 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)CC2 ZINC000161517643 859671224 /nfs/dbraw/zinc/67/12/24/859671224.db2.gz VUFLAFMZKCLXFA-RTBURBONSA-N 0 0 381.524 3.523 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153675428 860144802 /nfs/dbraw/zinc/14/48/02/860144802.db2.gz JNGXRLODEIUANG-QGZVFWFLSA-N 0 0 383.496 3.678 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccncc1 ZINC000017792421 860188202 /nfs/dbraw/zinc/18/82/02/860188202.db2.gz DYZBRCQRFWGOFV-QGZVFWFLSA-N 0 0 387.483 3.964 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCCc3ccc(Cl)cc3Cl)C2)no1 ZINC000170881761 860421116 /nfs/dbraw/zinc/42/11/16/860421116.db2.gz NKAZJEYBQHZGRB-CYBMUJFWSA-N 0 0 397.306 3.892 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(c3nc(C)nc4sc5c(c43)CCC5)C2)n1 ZINC000171986993 860429883 /nfs/dbraw/zinc/42/98/83/860429883.db2.gz JSSPFSDPUSNXAY-OAHLLOKOSA-N 0 0 382.537 3.613 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccccc21)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172369569 860433231 /nfs/dbraw/zinc/43/32/31/860433231.db2.gz BGWBLURUBUZDNZ-QGZVFWFLSA-N 0 0 392.459 3.573 10 0 GHAERN C[C@@H]1CCc2ccccc2N1C(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174249524 860448112 /nfs/dbraw/zinc/44/81/12/860448112.db2.gz BPLHJTMFGJSOIG-OAHLLOKOSA-N 0 0 380.492 3.674 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000173069476 860648270 /nfs/dbraw/zinc/64/82/70/860648270.db2.gz INCLPFNUJFPXOB-XJKSGUPXSA-N 0 0 387.530 3.661 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000102537357 860754816 /nfs/dbraw/zinc/75/48/16/860754816.db2.gz HZYRNBHPRDXNPZ-INIZCTEOSA-N 0 0 375.513 3.628 10 0 GHAERN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(F)cc1Cl ZINC000102928972 860904768 /nfs/dbraw/zinc/90/47/68/860904768.db2.gz BMBACACZLSNHGM-INIZCTEOSA-N 0 0 376.815 3.983 10 0 GHAERN CCCc1nc(CS(=O)(=O)Cc2ncc(-c3ccc(OC)cc3)o2)cs1 ZINC000102948605 860913203 /nfs/dbraw/zinc/91/32/03/860913203.db2.gz UHADZOWCTPVAOD-UHFFFAOYSA-N 0 0 392.502 3.874 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)c2ccccc21 ZINC000329087397 861007217 /nfs/dbraw/zinc/00/72/17/861007217.db2.gz VDHPYPRBZUIMAX-UXEORXRVSA-N 0 0 398.547 3.849 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3C2=O)cnn1-c1cc(C)ccc1C ZINC000329208695 861140914 /nfs/dbraw/zinc/14/09/14/861140914.db2.gz BURCHRGUGCMYKX-AOIWGVFYSA-N 0 0 378.476 3.897 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)n1 ZINC000282565374 863233343 /nfs/dbraw/zinc/23/33/43/863233343.db2.gz YKCWJQMORCGBID-BPCQOVAHSA-N 0 0 377.432 3.656 10 0 GHAERN CCN(CC)c1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179758 863903639 /nfs/dbraw/zinc/90/36/39/863903639.db2.gz VYSJMSVXIOGZKQ-QFIPXVFZSA-N 0 0 389.503 3.912 10 0 GHAERN COC(=O)c1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c(F)cc1F ZINC000103235472 863918472 /nfs/dbraw/zinc/91/84/72/863918472.db2.gz GCSOVBUFHMJKBJ-UHFFFAOYSA-N 0 0 387.386 3.905 10 0 GHAERN COc1ccccc1SC[C@H](C)CNC(=O)Cn1ccc(=O)c2ccccc21 ZINC000103421450 863977374 /nfs/dbraw/zinc/97/73/74/863977374.db2.gz JRQABFAIDLYNHU-MRXNPFEDSA-N 0 0 396.512 3.555 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000103863313 864099941 /nfs/dbraw/zinc/09/99/41/864099941.db2.gz QJBMISSFRKZIRK-LJQANCHMSA-N 0 0 387.867 3.664 10 0 GHAERN CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103942074 864122327 /nfs/dbraw/zinc/12/23/27/864122327.db2.gz YGMHGZVMRZUAPA-UHFFFAOYSA-N 0 0 398.459 3.613 10 0 GHAERN CCN(C)[C@H](C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1 ZINC000104052078 864165878 /nfs/dbraw/zinc/16/58/78/864165878.db2.gz CANNMHZUEQZQHY-IBGZPJMESA-N 0 0 375.476 3.981 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000104264941 864232599 /nfs/dbraw/zinc/23/25/99/864232599.db2.gz YMIOTIIXBOWJDK-UHFFFAOYSA-N 0 0 380.496 3.616 10 0 GHAERN O=C(Cn1cnc2ccccc2c1=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000104415917 864319535 /nfs/dbraw/zinc/31/95/35/864319535.db2.gz ARSUXMCKGYSIRL-UHFFFAOYSA-N 0 0 397.425 3.646 10 0 GHAERN Cc1ccc(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c(C)n1 ZINC000104391516 864333699 /nfs/dbraw/zinc/33/36/99/864333699.db2.gz GIYSMNDXWRQIQU-UHFFFAOYSA-N 0 0 375.432 3.667 10 0 GHAERN Cc1ccc(Cc2nnc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)s2)cc1 ZINC000178392272 864886656 /nfs/dbraw/zinc/88/66/56/864886656.db2.gz HTJFANDXRKBNBG-OXQOHEQNSA-N 0 0 386.521 3.596 10 0 GHAERN COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O ZINC000303247389 865114167 /nfs/dbraw/zinc/11/41/67/865114167.db2.gz MBXWIOPVQGFMJU-JKSUJKDBSA-N 0 0 399.516 3.567 10 0 GHAERN COC(=O)c1sc(N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)nc1Cl ZINC000302185575 865755910 /nfs/dbraw/zinc/75/59/10/865755910.db2.gz HNCSMRWYDNAKHY-ZDUSSCGKSA-N 0 0 397.859 3.628 10 0 GHAERN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248418519 866178431 /nfs/dbraw/zinc/17/84/31/866178431.db2.gz KJXZXSKHHONSQX-VDZJLULYSA-N 0 0 385.508 3.974 10 0 GHAERN O=C(NCc1cscn1)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000101993836 866542941 /nfs/dbraw/zinc/54/29/41/866542941.db2.gz XVGRESVHNYNLIW-UHFFFAOYSA-N 0 0 399.438 3.710 10 0 GHAERN COCCOc1ccc(F)cc1NC(=O)N(C)CCc1ccccc1OC ZINC000105033487 866630065 /nfs/dbraw/zinc/63/00/65/866630065.db2.gz RIUDEIMAUASGHM-UHFFFAOYSA-N 0 0 376.428 3.566 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)n1 ZINC000110893795 866661830 /nfs/dbraw/zinc/66/18/30/866661830.db2.gz FJEWGXUBBTVDGB-OAHLLOKOSA-N 0 0 393.491 3.569 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C(C)(C)C)C3)C2)n1 ZINC000113201462 866751536 /nfs/dbraw/zinc/75/15/36/866751536.db2.gz IKXRRCJEVJRFDE-JKSUJKDBSA-N 0 0 391.581 3.696 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NCCc3csc(CC)n3)C2)n1 ZINC000113611799 866759152 /nfs/dbraw/zinc/75/91/52/866759152.db2.gz LPWNRLHRBOKCPJ-ZDUSSCGKSA-N 0 0 378.567 3.856 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(C2CC2)no1 ZINC000114828865 866772576 /nfs/dbraw/zinc/77/25/76/866772576.db2.gz BWJWOBYFUHTYAZ-KBPBESRZSA-N 0 0 375.498 3.690 10 0 GHAERN Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000170891048 882067511 /nfs/dbraw/zinc/06/75/11/882067511.db2.gz JFDCKAVCPFZZJO-OAHLLOKOSA-N 0 0 389.546 3.529 10 0 GHAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4nccs4)C3)c12 ZINC000170890223 882067869 /nfs/dbraw/zinc/06/78/69/882067869.db2.gz YERGAHJQWLLGIH-CQSZACIVSA-N 0 0 381.505 3.630 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)NCc1cccnc1-n1cncn1 ZINC000171254667 882092068 /nfs/dbraw/zinc/09/20/68/882092068.db2.gz CZLXQRFDGOLRHN-UHFFFAOYSA-N 0 0 398.898 3.828 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N(Cc1ccccc1)Cc1ccccc1 ZINC000171618361 882118111 /nfs/dbraw/zinc/11/81/11/882118111.db2.gz NZDHISFESFRGLO-UHFFFAOYSA-N 0 0 398.470 3.574 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151596480 868040449 /nfs/dbraw/zinc/04/04/49/868040449.db2.gz KBXDZFKOQVFYDK-KUHUBIRLSA-N 0 0 391.309 3.627 10 0 GHAERN CN1C(=O)CC[C@@H](C(=O)N2CC=C(c3cccs3)CC2)[C@@H]1c1ccccc1 ZINC000172092545 882168569 /nfs/dbraw/zinc/16/85/69/882168569.db2.gz WTLOVBISOHOSDT-NQIIRXRSSA-N 0 0 380.513 3.974 10 0 GHAERN O=C(Nc1cccc(-n2cccc2)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171918398 882177958 /nfs/dbraw/zinc/17/79/58/882177958.db2.gz YFJCAEHTVYRYSU-UHFFFAOYSA-N 0 0 394.500 3.919 10 0 GHAERN Cc1cccc([C@H]2CCCCCN2C(=O)NCc2cccnc2-n2cncn2)c1 ZINC000172272654 882192871 /nfs/dbraw/zinc/19/28/71/882192871.db2.gz WYCLQVILNGEXLA-HXUWFJFHSA-N 0 0 390.491 3.798 10 0 GHAERN CCc1ccc(-n2nc(C(=O)N3CCC(c4cc[nH]n4)CC3)c3c2CCC3)cc1 ZINC000125628801 869021073 /nfs/dbraw/zinc/02/10/73/869021073.db2.gz FIACLQGISBAUQC-UHFFFAOYSA-N 0 0 389.503 3.666 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092069566 882255366 /nfs/dbraw/zinc/25/53/66/882255366.db2.gz DIEYXSAPCNINMF-UHFFFAOYSA-N 0 0 379.435 3.833 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)no1 ZINC000173823315 869149827 /nfs/dbraw/zinc/14/98/27/869149827.db2.gz BYVQHZJRFAOZIA-QGZVFWFLSA-N 0 0 375.494 3.598 10 0 GHAERN CC[C@](C)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1nccs1 ZINC000172420142 882275243 /nfs/dbraw/zinc/27/52/43/882275243.db2.gz NNZVZXNOYFOOEJ-FQEVSTJZSA-N 0 0 389.496 3.576 10 0 GHAERN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)NC[C@H](CCO)c3ccccc3)nc2c1 ZINC000172638395 882280875 /nfs/dbraw/zinc/28/08/75/882280875.db2.gz BMRRQDPAKSGOCL-GHTZIAJQSA-N 0 0 392.503 3.884 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000172635339 882281429 /nfs/dbraw/zinc/28/14/29/882281429.db2.gz OXILIBOURYPTGH-LJQANCHMSA-N 0 0 392.503 3.618 10 0 GHAERN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172564575 882295602 /nfs/dbraw/zinc/29/56/02/882295602.db2.gz QXPYCEBUROFQKD-GOSISDBHSA-N 0 0 378.432 3.531 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cc2ccccc2s1 ZINC000172585983 882296964 /nfs/dbraw/zinc/29/69/64/882296964.db2.gz JEDSSQMAGNVFSI-OAHLLOKOSA-N 0 0 398.532 3.740 10 0 GHAERN C[C@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000172792976 882308590 /nfs/dbraw/zinc/30/85/90/882308590.db2.gz SAHMPKXNYFQBGL-LBPRGKRZSA-N 0 0 378.881 3.953 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000172867873 882315598 /nfs/dbraw/zinc/31/55/98/882315598.db2.gz IGAIEJLNHZKDJJ-UHFFFAOYSA-N 0 0 379.504 3.894 10 0 GHAERN CC(C)OCc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172884253 882317852 /nfs/dbraw/zinc/31/78/52/882317852.db2.gz FIEBOKYZZBFGSP-HXUWFJFHSA-N 0 0 381.476 3.640 10 0 GHAERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000173043087 882333428 /nfs/dbraw/zinc/33/34/28/882333428.db2.gz VLTICAQXNLQKHN-LBPRGKRZSA-N 0 0 392.550 3.533 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[S@@](=O)Cc2ccc(Cl)cc2)cc1 ZINC000173141019 882352745 /nfs/dbraw/zinc/35/27/45/882352745.db2.gz XMJIYHIYPKVKNE-SIBVEZHUSA-N 0 0 391.920 3.961 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)nc1 ZINC000173374872 882357768 /nfs/dbraw/zinc/35/77/68/882357768.db2.gz BZHYOGWZXAXNIB-UHFFFAOYSA-N 0 0 382.533 3.919 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)NC2CCN(c3ncccn3)CC2)c1C ZINC000173728732 882369453 /nfs/dbraw/zinc/36/94/53/882369453.db2.gz AYBYUFHARCYWCJ-FQEVSTJZSA-N 0 0 379.508 3.609 10 0 GHAERN CC(=O)Nc1ccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000173656243 882389205 /nfs/dbraw/zinc/38/92/05/882389205.db2.gz XOOYGODQMSVVTR-UHFFFAOYSA-N 0 0 384.455 3.570 10 0 GHAERN COC(=O)CCc1nc(CSCc2ncc(-c3ccccc3Cl)o2)no1 ZINC000173823844 882408177 /nfs/dbraw/zinc/40/81/77/882408177.db2.gz RIYWTKCRVBJFAI-UHFFFAOYSA-N 0 0 393.852 3.917 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c(-c2nc(C3CC3)no2)c1 ZINC000173871215 882411826 /nfs/dbraw/zinc/41/18/26/882411826.db2.gz DSGXPHHMHWQKPF-HNNXBMFYSA-N 0 0 388.427 3.987 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000194538231 870520974 /nfs/dbraw/zinc/52/09/74/870520974.db2.gz JZKMOMQAMRJFOT-DLBZAZTESA-N 0 0 398.532 3.548 10 0 GHAERN O=C(c1cnn(Cc2ccccc2)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174074797 882422339 /nfs/dbraw/zinc/42/23/39/882422339.db2.gz UTRYFFIUCZZPPD-UHFFFAOYSA-N 0 0 378.451 3.787 10 0 GHAERN Cc1noc(C)c1CSCC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174077996 882422624 /nfs/dbraw/zinc/42/26/24/882422624.db2.gz DEGDHRUCGURCGG-UHFFFAOYSA-N 0 0 377.485 3.767 10 0 GHAERN O=C(NCc1cccc(OCC(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114828244 870769353 /nfs/dbraw/zinc/76/93/53/870769353.db2.gz CFCRCKFTMHMJDC-AWEZNQCLSA-N 0 0 381.448 3.876 10 0 GHAERN Cc1cc(NC(=O)NC2CCN(c3ncccn3)CC2)ccc1C(F)(F)F ZINC000174290412 882445661 /nfs/dbraw/zinc/44/56/61/882445661.db2.gz LNNUJZOVRHJXIV-UHFFFAOYSA-N 0 0 379.386 3.594 10 0 GHAERN Cc1cc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccc1 ZINC000103044954 871135970 /nfs/dbraw/zinc/13/59/70/871135970.db2.gz RVOQOHOETMMZRW-UHFFFAOYSA-N 0 0 375.428 3.636 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)CC(F)F)CC1 ZINC000174619672 882487291 /nfs/dbraw/zinc/48/72/91/882487291.db2.gz FCNNGLMYEYSMPF-UHFFFAOYSA-N 0 0 392.471 3.894 10 0 GHAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N[C@@H](c3cccs3)C(C)(C)C)c2)o1 ZINC000174672259 882491890 /nfs/dbraw/zinc/49/18/90/882491890.db2.gz WBQKRLGVIOPXRW-INIZCTEOSA-N 0 0 398.488 3.949 10 0 GHAERN C[C@@H](NC(=O)c1cc2cc(F)ccc2oc1=O)c1nc(-c2cccc(F)c2)no1 ZINC000174756780 882501363 /nfs/dbraw/zinc/50/13/63/882501363.db2.gz LTIMXPMEZFXGKZ-SNVBAGLBSA-N 0 0 397.337 3.612 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1c(F)cccc1Cl ZINC000174939639 882508365 /nfs/dbraw/zinc/50/83/65/882508365.db2.gz CYOFCLIWDJFMPW-ZDUSSCGKSA-N 0 0 389.858 3.604 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(Br)o3)C2)c1 ZINC000175406913 882553215 /nfs/dbraw/zinc/55/32/15/882553215.db2.gz NDSYHBMVROUOJX-NSHDSACASA-N 0 0 380.238 3.689 10 0 GHAERN C[C@@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000175207727 882557590 /nfs/dbraw/zinc/55/75/90/882557590.db2.gz KZKGAMYGEFAKQM-RWBZWWBESA-N 0 0 380.554 3.700 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)N[C@H](C)c3ncc(C)s3)C2)c1 ZINC000175464061 882583395 /nfs/dbraw/zinc/58/33/95/882583395.db2.gz DBJYMKUERSUXDD-KGLIPLIRSA-N 0 0 375.494 3.729 10 0 GHAERN CC(C)COC(=O)N1CCC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1 ZINC000101808160 872276646 /nfs/dbraw/zinc/27/66/46/872276646.db2.gz SOZAPOIEUYVJFQ-UHFFFAOYSA-N 0 0 388.493 3.648 10 0 GHAERN CC[C@@H](NC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21)c1nccs1 ZINC000175802665 882632410 /nfs/dbraw/zinc/63/24/10/882632410.db2.gz JOWNTCBQMZBNAI-NVXWUHKLSA-N 0 0 398.532 3.920 10 0 GHAERN Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCC(n4cncn4)CC3)c2c1 ZINC000175812347 882634838 /nfs/dbraw/zinc/63/48/38/882634838.db2.gz CHYVTUWBXGDAMN-UHFFFAOYSA-N 0 0 375.476 3.798 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)ccc1F ZINC000175817331 882635869 /nfs/dbraw/zinc/63/58/69/882635869.db2.gz VXVNTDGPUYWLCD-GOEBONIOSA-N 0 0 375.404 3.506 10 0 GHAERN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cccc2ncccc21 ZINC000102319868 872898510 /nfs/dbraw/zinc/89/85/10/872898510.db2.gz KXGHWILYRRBSFE-UHFFFAOYSA-N 0 0 378.413 3.618 10 0 GHAERN CCCc1c(C(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000116244634 873366785 /nfs/dbraw/zinc/36/67/85/873366785.db2.gz CBIOVHNEIKKBNV-MGPUTAFESA-N 0 0 396.535 3.514 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000176662218 882723204 /nfs/dbraw/zinc/72/32/04/882723204.db2.gz FEOVVYAITWOEMJ-RDJZCZTQSA-N 0 0 381.455 3.827 10 0 GHAERN CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O[C@@H](C)c2ccccc2)cc1C ZINC000102743985 873525020 /nfs/dbraw/zinc/52/50/20/873525020.db2.gz IZQZTILGVMLROT-MGPUTAFESA-N 0 0 384.501 3.995 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3nc4ccccc4s3)CC2)n1 ZINC000116668222 873614656 /nfs/dbraw/zinc/61/46/56/873614656.db2.gz OGCDYSZBBMVLJV-UHFFFAOYSA-N 0 0 380.517 3.718 10 0 GHAERN COCCn1c(C)c(C)n(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S ZINC000102921218 873881353 /nfs/dbraw/zinc/88/13/53/873881353.db2.gz OFLWZZRBDMGQPS-QGZVFWFLSA-N 0 0 389.521 3.806 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H](c4nccs4)C3)cc2)co1 ZINC000117365613 873968051 /nfs/dbraw/zinc/96/80/51/873968051.db2.gz BLSQYVJSPAHMSA-HNNXBMFYSA-N 0 0 389.502 3.675 10 0 GHAERN COC(=O)N(C)Cc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000117462611 874012326 /nfs/dbraw/zinc/01/23/26/874012326.db2.gz KHDOBJJJDKKBHS-LJQANCHMSA-N 0 0 382.464 3.603 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117612642 874075464 /nfs/dbraw/zinc/07/54/64/874075464.db2.gz HUUQXTDWDIXEJB-SJCJKPOMSA-N 0 0 392.377 3.790 10 0 GHAERN O=C(c1ncccc1OCC(F)(F)F)N1CCC(Cc2ccccn2)CC1 ZINC000177468684 882802828 /nfs/dbraw/zinc/80/28/28/882802828.db2.gz SLUVUQRPGKHFDL-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2cc(F)ccc2F)cc1 ZINC000104560027 874490756 /nfs/dbraw/zinc/49/07/56/874490756.db2.gz SOIALMBHZNBLRZ-UHFFFAOYSA-N 0 0 376.403 3.920 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NCC[C@@H]1c3ccccc3NC1=O)CCC2 ZINC000177834509 882866734 /nfs/dbraw/zinc/86/67/34/882866734.db2.gz NFZQDFZXODZGSY-PBHICJAKSA-N 0 0 398.532 3.850 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178304802 882883552 /nfs/dbraw/zinc/88/35/52/882883552.db2.gz CLSSIOSXVZLSLP-HKUYNNGSSA-N 0 0 384.888 3.781 10 0 GHAERN Cc1cccc(C)c1CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178531021 882900409 /nfs/dbraw/zinc/90/04/09/882900409.db2.gz XZVIRCQGMHXWSE-UHFFFAOYSA-N 0 0 382.479 3.654 10 0 GHAERN COCc1cccc(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000178391006 882909093 /nfs/dbraw/zinc/90/90/93/882909093.db2.gz FEGNCKNPUYUHTM-LJQANCHMSA-N 0 0 387.501 3.948 10 0 GHAERN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1c(C)noc1C ZINC000178929118 882937565 /nfs/dbraw/zinc/93/75/65/882937565.db2.gz WPPOPLDSXGRNKU-GOSISDBHSA-N 0 0 387.455 3.550 10 0 GHAERN O=C(c1ccc(OCC(F)F)nc1)N1CCC(Nc2ccccc2F)CC1 ZINC000120201806 875717875 /nfs/dbraw/zinc/71/78/75/875717875.db2.gz UIFZGPCRUQACSV-UHFFFAOYSA-N 0 0 379.382 3.581 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)C1CCN(C(=O)c2cccs2)CC1 ZINC000179376759 882965778 /nfs/dbraw/zinc/96/57/78/882965778.db2.gz UQGMAONEYCRRTQ-SFHVURJKSA-N 0 0 386.492 3.933 10 0 GHAERN Cc1nc(Cl)ccc1COC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000179114072 882971710 /nfs/dbraw/zinc/97/17/10/882971710.db2.gz YXRMUCGXUULPCP-UHFFFAOYSA-N 0 0 378.881 3.701 10 0 GHAERN Cc1cc(-c2noc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1F ZINC000179975858 883041617 /nfs/dbraw/zinc/04/16/17/883041617.db2.gz OGYOYSALMIVXOZ-ZDUSSCGKSA-N 0 0 380.423 3.920 10 0 GHAERN CN(C(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000180203753 883067782 /nfs/dbraw/zinc/06/77/82/883067782.db2.gz XWKXGWFXYJNLJZ-QGZVFWFLSA-N 0 0 375.831 3.532 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]2Cn2ccnc2)c1 ZINC000180608303 883084164 /nfs/dbraw/zinc/08/41/64/883084164.db2.gz DOBJMHYYMRVKSF-HNNXBMFYSA-N 0 0 389.887 3.972 10 0 GHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000153422449 878308304 /nfs/dbraw/zinc/30/83/04/878308304.db2.gz NMPHAJNWOPVXIS-XHDPSFHLSA-N 0 0 381.373 3.866 10 0 GHAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)C(=O)C2 ZINC000249393181 878654015 /nfs/dbraw/zinc/65/40/15/878654015.db2.gz GJDJYXOLERKAQU-DCGLDWPTSA-N 0 0 395.487 3.622 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N3CC=C(c4ccccc4)CC3)c2)no1 ZINC000122692800 879256460 /nfs/dbraw/zinc/25/64/60/879256460.db2.gz LENLAZKCPRNSHD-UHFFFAOYSA-N 0 0 375.428 3.887 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccc(OC2CCCCC2)cc1 ZINC000135271415 879267791 /nfs/dbraw/zinc/26/77/91/879267791.db2.gz AZMJIVTVLSOIIY-SFHVURJKSA-N 0 0 380.492 3.587 10 0 GHAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)N1CCCC1 ZINC000248718061 880889851 /nfs/dbraw/zinc/88/98/51/880889851.db2.gz LGJKYZYYAYOKOZ-ZACQAIPSSA-N 0 0 380.488 3.522 10 0 GHAERN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CC(=O)Nc2c(C)ccnc21 ZINC000181035564 883118571 /nfs/dbraw/zinc/11/85/71/883118571.db2.gz JKYWNMKRVFDSBZ-UHFFFAOYSA-N 0 0 382.420 3.560 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1C[C@H](C)C[C@H]1c1cccnc1 ZINC000182103652 883205313 /nfs/dbraw/zinc/20/53/13/883205313.db2.gz BGUQWNCCQFVASU-ZIEDNJRCSA-N 0 0 382.460 3.730 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccncc1 ZINC000182404974 883219062 /nfs/dbraw/zinc/21/90/62/883219062.db2.gz PRVLLVKQOCBCJP-SUMWQHHRSA-N 0 0 379.382 3.945 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000182617896 883229137 /nfs/dbraw/zinc/22/91/37/883229137.db2.gz LAOATSAPCPOWHI-GOSISDBHSA-N 0 0 378.457 3.622 10 0 GHAERN Cc1nc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c(-c2ccccc2)o1 ZINC000183610475 883291814 /nfs/dbraw/zinc/29/18/14/883291814.db2.gz DUYLTLRIZRBPSX-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3ccc(F)cc3C2)c2ccc(F)cc2C1 ZINC000184008657 883297064 /nfs/dbraw/zinc/29/70/64/883297064.db2.gz HDSBJEMUOMLZEO-OAQYLSRUSA-N 0 0 399.441 3.526 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184012316 883297912 /nfs/dbraw/zinc/29/79/12/883297912.db2.gz YMRMKMONLZLDQB-AOMKIAJQSA-N 0 0 397.494 3.940 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2C)c2ccc(F)cc2C1 ZINC000184011852 883298190 /nfs/dbraw/zinc/29/81/90/883298190.db2.gz GPGZAGUGHCBROI-QVKFZJNVSA-N 0 0 383.467 3.988 10 0 GHAERN CCC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184039706 883302420 /nfs/dbraw/zinc/30/24/20/883302420.db2.gz PNYRJLBLRIYCJN-UZLBHIALSA-N 0 0 375.488 3.841 10 0 GHAERN O=C(Nc1ccc(F)cc1Br)N1CCCN(c2ccccn2)CC1 ZINC000184075170 883315237 /nfs/dbraw/zinc/31/52/37/883315237.db2.gz PSIGVYGVSHZIGV-UHFFFAOYSA-N 0 0 393.260 3.727 10 0 GHAERN O=C(Nc1cc(Br)ccc1F)N1CCCN(c2ccccn2)CC1 ZINC000184106283 883319237 /nfs/dbraw/zinc/31/92/37/883319237.db2.gz WIYOMRDFZWUSGS-UHFFFAOYSA-N 0 0 393.260 3.727 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)c2ccc(F)cc2C1 ZINC000184111455 883319695 /nfs/dbraw/zinc/31/96/95/883319695.db2.gz BZIQINWMCWIYTC-JOCHJYFZSA-N 0 0 393.462 3.768 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCCN(c2ccccn2)CC1 ZINC000184121625 883322425 /nfs/dbraw/zinc/32/24/25/883322425.db2.gz KFMUPVPDSCSZBD-UHFFFAOYSA-N 0 0 377.448 3.844 10 0 GHAERN CCCN(C)c1ccc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184164243 883326079 /nfs/dbraw/zinc/32/60/79/883326079.db2.gz OIRLMAHOYMUHPR-JOCHJYFZSA-N 0 0 397.494 3.895 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000184059686 883332153 /nfs/dbraw/zinc/33/21/53/883332153.db2.gz OHXHJHUJUNKPKC-CQSZACIVSA-N 0 0 390.871 3.636 10 0 GHAERN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2ccccn2)CC1 ZINC000184227780 883337922 /nfs/dbraw/zinc/33/79/22/883337922.db2.gz SATMSRDBCMVJLL-KRWDZBQOSA-N 0 0 394.302 3.551 10 0 GHAERN COCC(=O)N1CCc2c1cccc2NC(=O)N1CC=C(c2cccs2)CC1 ZINC000184783360 883394485 /nfs/dbraw/zinc/39/44/85/883394485.db2.gz BZMKAOLIWYVUMS-UHFFFAOYSA-N 0 0 397.500 3.605 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000185123340 883422915 /nfs/dbraw/zinc/42/29/15/883422915.db2.gz DLRGFCPAQZETRX-QHCPKHFHSA-N 0 0 390.439 3.577 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N(C)CCc3ccc(F)cc3)C2)c1 ZINC000102463770 883424556 /nfs/dbraw/zinc/42/45/56/883424556.db2.gz LMYKVCKMYLDQPQ-GOSISDBHSA-N 0 0 385.483 3.545 10 0 GHAERN CCCCc1nnc(NC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)s1 ZINC000102524761 883525422 /nfs/dbraw/zinc/52/54/22/883525422.db2.gz LVXYCRJAFBLZPZ-CQSZACIVSA-N 0 0 389.525 3.537 10 0 GHAERN COc1cccc([C@H](C)CC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185522353 883550103 /nfs/dbraw/zinc/55/01/03/883550103.db2.gz SEICONJFIBZLIX-QRQCRPRQSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000185539925 883552681 /nfs/dbraw/zinc/55/26/81/883552681.db2.gz KMCXSVVKPCHZCJ-BUXKBTBVSA-N 0 0 390.405 3.817 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)c2ccc(F)cc2C1 ZINC000185543594 883553820 /nfs/dbraw/zinc/55/38/20/883553820.db2.gz IYFBZMWYSQOVAJ-NRFANRHFSA-N 0 0 380.463 3.775 10 0 GHAERN COc1c(C)cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1C ZINC000185546916 883553876 /nfs/dbraw/zinc/55/38/76/883553876.db2.gz JZKABPDGUJPCSK-HXUWFJFHSA-N 0 0 384.451 3.674 10 0 GHAERN CCCc1csc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)n1 ZINC000185637288 883568670 /nfs/dbraw/zinc/56/86/70/883568670.db2.gz CGEHPJXEJBXRIY-KRWDZBQOSA-N 0 0 390.484 3.850 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000185812916 883576231 /nfs/dbraw/zinc/57/62/31/883576231.db2.gz LSIALNNJUOTBLE-JKSUJKDBSA-N 0 0 389.421 3.696 10 0 GHAERN c1[nH]nc(-c2ccc3c(c2)OCCO3)c1CNCc1ncc(-c2ccccc2)cn1 ZINC000185872831 883597133 /nfs/dbraw/zinc/59/71/33/883597133.db2.gz GALYRMPTDYOQAY-UHFFFAOYSA-N 0 0 399.454 3.595 10 0 GHAERN CN([C@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000186143362 883615290 /nfs/dbraw/zinc/61/52/90/883615290.db2.gz PWDLSEAGZHYMEJ-IBGZPJMESA-N 0 0 387.892 3.727 10 0 GHAERN O=S1(=O)CC[C@H](N[C@@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000186306216 883631030 /nfs/dbraw/zinc/63/10/30/883631030.db2.gz OYYHGIFQPCPGII-RXVVDRJESA-N 0 0 382.460 3.818 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)ccc1F ZINC000186408780 883642681 /nfs/dbraw/zinc/64/26/81/883642681.db2.gz ZFHRAXQBYSLCNY-SOFGYWHQSA-N 0 0 391.389 3.636 10 0 GHAERN O=C(c1occc1COc1ccccc1)N1CCCN(c2ccccn2)CC1 ZINC000186422129 883644720 /nfs/dbraw/zinc/64/47/20/883644720.db2.gz CTAPSWDXWOKBGI-UHFFFAOYSA-N 0 0 377.444 3.606 10 0 GHAERN O=C(CCCc1nc2ccccc2s1)N1CCCN(c2ccccn2)CC1 ZINC000186440232 883646190 /nfs/dbraw/zinc/64/61/90/883646190.db2.gz NECSIWZGIXFWQK-UHFFFAOYSA-N 0 0 380.517 3.753 10 0 GHAERN CN(CCCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186644288 883680624 /nfs/dbraw/zinc/68/06/24/883680624.db2.gz INPZYHINOWBOEC-UHFFFAOYSA-N 0 0 381.480 3.702 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000186835385 883720571 /nfs/dbraw/zinc/72/05/71/883720571.db2.gz VUADRWXSRORJSF-AWEZNQCLSA-N 0 0 378.425 3.588 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@H](c4ccc(F)cc4F)C3)nc21 ZINC000186891438 883727938 /nfs/dbraw/zinc/72/79/38/883727938.db2.gz JYBYQTIECGZOOY-SFHVURJKSA-N 0 0 385.414 3.682 10 0 GHAERN COc1cnccc1[C@H](C)NCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000187083655 883752679 /nfs/dbraw/zinc/75/26/79/883752679.db2.gz LWQSOVSBTONOHZ-INIZCTEOSA-N 0 0 390.487 3.538 10 0 GHAERN O=C(c1cc(Br)ncc1Cl)N1CCC[C@H](c2nccs2)C1 ZINC000187533276 883799637 /nfs/dbraw/zinc/79/96/37/883799637.db2.gz VSAQETCVNOYIPX-VIFPVBQESA-N 0 0 386.702 3.974 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCC(Nc3nccs3)CC2)CCO1 ZINC000187776841 883807722 /nfs/dbraw/zinc/80/77/22/883807722.db2.gz RJGFVYHGQNLINT-SJORKVTESA-N 0 0 380.558 3.713 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)n1 ZINC000188385042 883839134 /nfs/dbraw/zinc/83/91/34/883839134.db2.gz ACTVKQDSTOKVJN-MRXNPFEDSA-N 0 0 399.388 3.969 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188403498 883846753 /nfs/dbraw/zinc/84/67/53/883846753.db2.gz LHVXNXOIBRVEMV-SFHVURJKSA-N 0 0 386.455 3.591 10 0 GHAERN CC(C)c1nnc2n1CCN(Cc1nc3cc(C(F)(F)F)ccc3n1C)[C@H]2C ZINC000188480691 883853269 /nfs/dbraw/zinc/85/32/69/883853269.db2.gz MUHVGKGTGDQOCH-LBPRGKRZSA-N 0 0 392.429 3.884 10 0 GHAERN CCOc1cc(NC(=O)N2CCC(Nc3nccs3)CC2)ccc1OC ZINC000188613992 883866436 /nfs/dbraw/zinc/86/64/36/883866436.db2.gz JWBWKHCWEPJXBB-UHFFFAOYSA-N 0 0 376.482 3.659 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccccc1CC(F)(F)F ZINC000188692912 883871260 /nfs/dbraw/zinc/87/12/60/883871260.db2.gz QZOZJOWKHPJYDQ-INIZCTEOSA-N 0 0 392.377 3.678 10 0 GHAERN C[C@H](O)C[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189563139 883962880 /nfs/dbraw/zinc/96/28/80/883962880.db2.gz RLIOARBOGCZBJZ-ICSRJNTNSA-N 0 0 394.515 3.819 10 0 GHAERN CCS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCOc3c(C)cccc32)c1 ZINC000189597163 883967448 /nfs/dbraw/zinc/96/74/48/883967448.db2.gz JELYPQNGUNGRSF-QGZVFWFLSA-N 0 0 393.892 3.696 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000189644284 883976220 /nfs/dbraw/zinc/97/62/20/883976220.db2.gz ZVAPEXPEBNHSFC-KRWDZBQOSA-N 0 0 384.426 3.787 10 0 GHAERN C=C1c2ccccc2C(=O)N1CCC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189835325 884015999 /nfs/dbraw/zinc/01/59/99/884015999.db2.gz KIZPVAVBJIXYOL-UHFFFAOYSA-N 0 0 388.467 3.598 10 0 GHAERN Cc1ccc([C@](O)(CC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C(F)(F)F)o1 ZINC000190199425 884052403 /nfs/dbraw/zinc/05/24/03/884052403.db2.gz PIHJVLAPXNASKS-ZYSHUDEJSA-N 0 0 397.393 3.622 10 0 GHAERN Cc1sc(=O)n(CCC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1C ZINC000190273671 884063085 /nfs/dbraw/zinc/06/30/85/884063085.db2.gz ROLBKPYXFLNRCB-AWEZNQCLSA-N 0 0 380.460 3.601 10 0 GHAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000190269003 884063304 /nfs/dbraw/zinc/06/33/04/884063304.db2.gz LTRGJYIYUHKZOF-MRXNPFEDSA-N 0 0 393.455 3.529 10 0 GHAERN C[S@@](=O)Cc1cccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000190291233 884064106 /nfs/dbraw/zinc/06/41/06/884064106.db2.gz BZQHIGOIUFVQTQ-YHAMSUFESA-N 0 0 377.456 3.863 10 0 GHAERN COc1ccc(C(=O)CCc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1F ZINC000190384541 884074242 /nfs/dbraw/zinc/07/42/42/884074242.db2.gz KTSVNVRLUILLIB-UGSOOPFHSA-N 0 0 376.428 3.951 10 0 GHAERN O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCC(Nc2nccs2)CC1 ZINC000190415544 884079218 /nfs/dbraw/zinc/07/92/18/884079218.db2.gz HODNGXIWXUJWJY-UHFFFAOYSA-N 0 0 387.896 3.699 10 0 GHAERN CC(C)COc1ccc(CNC(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 ZINC000190597595 884091366 /nfs/dbraw/zinc/09/13/66/884091366.db2.gz AHFUOHPCWTWIKA-MRXNPFEDSA-N 0 0 385.512 3.723 10 0 GHAERN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000190810828 884130164 /nfs/dbraw/zinc/13/01/64/884130164.db2.gz DKBCPKVSSDLBBE-UHFFFAOYSA-N 0 0 381.342 3.761 10 0 GHAERN O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CC2(CCOCC2)c2ccccc21 ZINC000191106789 884154620 /nfs/dbraw/zinc/15/46/20/884154620.db2.gz MHECFTRYHUYZQF-LJQANCHMSA-N 0 0 391.515 3.791 10 0 GHAERN COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC(C)C)c1 ZINC000191713858 884206311 /nfs/dbraw/zinc/20/63/11/884206311.db2.gz BSHUIEAETYNOND-UTKZUKDTSA-N 0 0 397.519 3.518 10 0 GHAERN CCc1cccc(CC)c1NC(=O)N1CCC(Nc2nccc(OC)n2)CC1 ZINC000191797703 884211589 /nfs/dbraw/zinc/21/15/89/884211589.db2.gz YWQFVRAZBLGGPC-UHFFFAOYSA-N 0 0 383.496 3.718 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000192284282 884248588 /nfs/dbraw/zinc/24/85/88/884248588.db2.gz CWKOVGGQEBJJND-HIFRSBDPSA-N 0 0 383.192 3.507 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192307571 884250302 /nfs/dbraw/zinc/25/03/02/884250302.db2.gz DRKUWTKGRQVHBM-LBPRGKRZSA-N 0 0 383.283 3.947 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192571029 884281519 /nfs/dbraw/zinc/28/15/19/884281519.db2.gz KIIKUIQVMPPERR-UHFFFAOYSA-N 0 0 381.863 3.650 10 0 GHAERN CCNC(=O)COc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000192968036 884317419 /nfs/dbraw/zinc/31/74/19/884317419.db2.gz UPALWCDUXFOPGY-UHFFFAOYSA-N 0 0 379.460 3.523 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000193258497 884334585 /nfs/dbraw/zinc/33/45/85/884334585.db2.gz CZGGPVRCMPBTNL-AZUAARDMSA-N 0 0 378.476 3.834 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000193147492 884340310 /nfs/dbraw/zinc/34/03/10/884340310.db2.gz QADJNFBQNIJNTE-SJKOYZFVSA-N 0 0 392.286 3.870 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000193148969 884340926 /nfs/dbraw/zinc/34/09/26/884340926.db2.gz VZKDTNYYQKBHCP-OAHLLOKOSA-N 0 0 383.492 3.836 10 0 GHAERN CC(=O)N1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000193369835 884345494 /nfs/dbraw/zinc/34/54/94/884345494.db2.gz CVVSQZDKLGJQOP-GOSISDBHSA-N 0 0 391.924 3.755 10 0 GHAERN Cc1ccccc1[C@@]1(C)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O ZINC000102716059 884360770 /nfs/dbraw/zinc/36/07/70/884360770.db2.gz VCHWNLYNPRGYFI-OAQYLSRUSA-N 0 0 379.391 3.756 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)n1 ZINC000102726826 884381339 /nfs/dbraw/zinc/38/13/39/884381339.db2.gz PXACUPCKFIXCBB-UHFFFAOYSA-N 0 0 388.427 3.814 10 0 GHAERN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc2ncccc21 ZINC000102860200 884575451 /nfs/dbraw/zinc/57/54/51/884575451.db2.gz CSLYBJCQZCVQPI-IBGZPJMESA-N 0 0 389.499 3.598 10 0 GHAERN Cc1ccccc1CC(C)(C)NC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000102902056 884610243 /nfs/dbraw/zinc/61/02/43/884610243.db2.gz VTKMDGBYHUCPLN-QGZVFWFLSA-N 0 0 377.492 3.957 10 0 GHAERN Fc1ccc(OCc2noc(CN3CCC[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102950509 884652732 /nfs/dbraw/zinc/65/27/32/884652732.db2.gz FFCCFHQZFOYBDH-KRWDZBQOSA-N 0 0 397.406 3.854 10 0 GHAERN O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccoc2)no1 ZINC000105572216 884813114 /nfs/dbraw/zinc/81/31/14/884813114.db2.gz BKVXDTRGSSIVLA-UHFFFAOYSA-N 0 0 375.384 3.839 10 0 GHAERN c1cc(-c2noc(CSc3ncnc4c3cnn4-c3ccccc3)n2)co1 ZINC000105571435 884813286 /nfs/dbraw/zinc/81/32/86/884813286.db2.gz HNMBCKAHVPOYLY-UHFFFAOYSA-N 0 0 376.401 3.751 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1)c1ccccc1 ZINC000105987966 884940583 /nfs/dbraw/zinc/94/05/83/884940583.db2.gz NHNDOXZNTNLLCP-BEVDRBHNSA-N 0 0 394.471 3.705 10 0 GHAERN Cc1csc(CCCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)n1 ZINC000102380404 885111920 /nfs/dbraw/zinc/11/19/20/885111920.db2.gz HLKUHHHDVLYDEP-BXUZGUMPSA-N 0 0 375.469 3.548 10 0 GHAERN CC(=O)N1CCc2cc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)ccc21 ZINC000103315189 885989798 /nfs/dbraw/zinc/98/97/98/885989798.db2.gz VRLHHTISJVGTSF-JOCHJYFZSA-N 0 0 386.455 3.902 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112351666 886260110 /nfs/dbraw/zinc/26/01/10/886260110.db2.gz QHSFPLNVWYRISA-AWEZNQCLSA-N 0 0 391.924 3.577 10 0 GHAERN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000030996023 886273460 /nfs/dbraw/zinc/27/34/60/886273460.db2.gz CFINHJVOBDRHIN-HSZRJFAPSA-N 0 0 387.483 3.531 10 0 GHAERN O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219672 886286703 /nfs/dbraw/zinc/28/67/03/886286703.db2.gz KPNLPKKCVCBSEQ-IBGZPJMESA-N 0 0 398.470 3.677 10 0 GHAERN CNc1snc(C)c1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219770 886287800 /nfs/dbraw/zinc/28/78/00/886287800.db2.gz QHSMERQKABLVEJ-HNNXBMFYSA-N 0 0 381.505 3.903 10 0 GHAERN COc1ccc(CCCNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000114826302 886328140 /nfs/dbraw/zinc/32/81/40/886328140.db2.gz QNRHPBLNSFQRNO-MRXNPFEDSA-N 0 0 389.521 3.682 10 0 GHAERN Cc1c(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cccc1C(=O)N1CCSCC1 ZINC000117638586 886389729 /nfs/dbraw/zinc/38/97/29/886389729.db2.gz PFZZPCFDFQBYRS-QRWLVFNGSA-N 0 0 396.512 3.687 10 0 GHAERN O=C(CCCNC(=O)N1CC=C(c2cccs2)CC1)N1Cc2ccccc2C1 ZINC000118074820 886399517 /nfs/dbraw/zinc/39/95/17/886399517.db2.gz YUGITIPLGVPPDJ-UHFFFAOYSA-N 0 0 395.528 3.869 10 0 GHAERN C[C@H](NC(=O)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000120267898 886511787 /nfs/dbraw/zinc/51/17/87/886511787.db2.gz VBBRWSZFKPJIKH-AFAVFJNCSA-N 0 0 379.382 3.679 10 0 GHAERN O=C(Nc1cc2c(cc1F)NC(=O)CC2)NC1CCN(c2cccs2)CC1 ZINC000120502360 886524283 /nfs/dbraw/zinc/52/42/83/886524283.db2.gz LUBMBYFCIQKLGW-UHFFFAOYSA-N 0 0 388.468 3.562 10 0 GHAERN C[C@@H](c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1)N1CCOCC1 ZINC000332824314 886551253 /nfs/dbraw/zinc/55/12/53/886551253.db2.gz IBXVZOUFKPNIJJ-OXJNMPFZSA-N 0 0 381.476 3.725 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000332912131 886561491 /nfs/dbraw/zinc/56/14/91/886561491.db2.gz ZTYKUMCOOXOQFC-PBHICJAKSA-N 0 0 394.500 3.548 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCCC[C@H]1c1ncon1 ZINC000123759566 886669497 /nfs/dbraw/zinc/66/94/97/886669497.db2.gz LPRWUGVCEINGRS-KIUWMYQTSA-N 0 0 377.876 3.651 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000124216091 886719425 /nfs/dbraw/zinc/71/94/25/886719425.db2.gz GYJJMSBUEJEKIW-UHFFFAOYSA-N 0 0 389.503 3.591 10 0 GHAERN CCCOCc1ccccc1CNC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000124409592 886744338 /nfs/dbraw/zinc/74/43/38/886744338.db2.gz ULXYCTDRISXBNZ-UHFFFAOYSA-N 0 0 384.524 3.511 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCOc2ccc(C)cc2)c2ccccc2F)no1 ZINC000124599247 886769899 /nfs/dbraw/zinc/76/98/99/886769899.db2.gz CSNCCADAOBENGJ-LJQANCHMSA-N 0 0 398.438 3.635 10 0 GHAERN CN1CC[C@@H](CNC(=O)NCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000125664270 886889589 /nfs/dbraw/zinc/88/95/89/886889589.db2.gz HKIJBZIFMIUVEV-NSHDSACASA-N 0 0 384.427 3.585 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000125870047 886907108 /nfs/dbraw/zinc/90/71/08/886907108.db2.gz GRWVJRWIVPCSKZ-NRMKIYEFSA-N 0 0 375.428 3.592 10 0 GHAERN CC(C)(CNC(=O)N1CCC(n2cncn2)CC1)Cc1cccc(Cl)c1 ZINC000127345247 887053297 /nfs/dbraw/zinc/05/32/97/887053297.db2.gz SDHIFPQUBSLIDK-UHFFFAOYSA-N 0 0 375.904 3.547 10 0 GHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(Nc2ccccc2F)CC1 ZINC000128976995 887246741 /nfs/dbraw/zinc/24/67/41/887246741.db2.gz QPOBMLIRWHKMEP-CYBMUJFWSA-N 0 0 376.863 3.778 10 0 GHAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(N2CCCC2)c1 ZINC000129450398 887301454 /nfs/dbraw/zinc/30/14/54/887301454.db2.gz JXZXSJCUWOMNLL-SFHVURJKSA-N 0 0 395.551 3.746 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000131104057 887510162 /nfs/dbraw/zinc/51/01/62/887510162.db2.gz BTIGNKVGWPHSBI-ZFWWWQNUSA-N 0 0 381.423 3.798 10 0 GHAERN CCS(=O)(=O)c1ccc2oc(CN3CC=C(c4cccs4)CC3)nc2c1 ZINC000132427500 887659270 /nfs/dbraw/zinc/65/92/70/887659270.db2.gz PFSKBRMIVPIPJI-UHFFFAOYSA-N 0 0 388.514 3.972 10 0 GHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000133284607 887747228 /nfs/dbraw/zinc/74/72/28/887747228.db2.gz HHISXRKWFYDSJE-OAHLLOKOSA-N 0 0 381.457 3.894 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000134366741 887864206 /nfs/dbraw/zinc/86/42/06/887864206.db2.gz KNEVJVVGKVFNIB-WIYYLYMNSA-N 0 0 391.471 3.798 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134373844 887865543 /nfs/dbraw/zinc/86/55/43/887865543.db2.gz VWAKBRVHIPOGEY-CJNGLKHVSA-N 0 0 387.867 3.714 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134644403 887894494 /nfs/dbraw/zinc/89/44/94/887894494.db2.gz UASJESWTBVVQOS-SFHVURJKSA-N 0 0 379.464 3.590 10 0 GHAERN Cc1nc(C2(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)CCCC2)no1 ZINC000055552782 888200463 /nfs/dbraw/zinc/20/04/63/888200463.db2.gz DFPCSZHTEVSIRN-UHFFFAOYSA-N 0 0 384.411 3.690 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(NC3CC3)s2)cc1 ZINC000053570525 888234778 /nfs/dbraw/zinc/23/47/78/888234778.db2.gz RBVGBJMEVWJPHG-HNNXBMFYSA-N 0 0 390.534 3.577 10 0 GHAERN Cc1nc(C(C)(C)NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc1C ZINC000135627198 888253060 /nfs/dbraw/zinc/25/30/60/888253060.db2.gz QTNSIFIKILOUIY-AWEZNQCLSA-N 0 0 375.519 3.614 10 0 GHAERN Cc1cccc(OC[C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000054165527 888267476 /nfs/dbraw/zinc/26/74/76/888267476.db2.gz XZNICTSWIPYETI-QGZVFWFLSA-N 0 0 398.478 3.570 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccc2c(c1)OCCO2 ZINC000054583906 888279673 /nfs/dbraw/zinc/27/96/73/888279673.db2.gz MBXCUPSIQPXMRZ-UHFFFAOYSA-N 0 0 382.391 3.501 10 0 GHAERN COc1c(F)cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1F ZINC000055947942 888340911 /nfs/dbraw/zinc/34/09/11/888340911.db2.gz FDUOZQVRMRWNNI-UHFFFAOYSA-N 0 0 380.416 3.526 10 0 GHAERN O=C(c1cccc(N2CCCNC2=O)c1)N1CC=C(c2ccccc2F)CC1 ZINC000137336186 888348448 /nfs/dbraw/zinc/34/84/48/888348448.db2.gz WLHNBUAUFNFXIS-UHFFFAOYSA-N 0 0 379.435 3.675 10 0 GHAERN COC(=O)N(C)c1ccc(NC(=O)NC[C@H]2CCN(C)c3ccccc32)cc1 ZINC000056745078 888375871 /nfs/dbraw/zinc/37/58/71/888375871.db2.gz FWTRJZNZXIZCGF-OAHLLOKOSA-N 0 0 382.464 3.634 10 0 GHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)n1 ZINC000062131244 888500328 /nfs/dbraw/zinc/50/03/28/888500328.db2.gz LMYILBIDAZMFDH-UHFFFAOYSA-N 0 0 377.492 3.546 10 0 GHAERN Cc1ccc([C@@](O)(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C(F)(F)F)o1 ZINC000193729102 888519895 /nfs/dbraw/zinc/51/98/95/888519895.db2.gz FSYDMOGJMXGAGD-YLVFBTJISA-N 0 0 388.386 3.882 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)CC(=O)N4C)C2)cc1 ZINC000194137655 888560032 /nfs/dbraw/zinc/56/00/32/888560032.db2.gz SMNNLKPXTHNHAI-RHSMWYFYSA-N 0 0 379.460 3.624 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000194659284 888603897 /nfs/dbraw/zinc/60/38/97/888603897.db2.gz WKMVUNPHOQSJEL-DLBZAZTESA-N 0 0 386.377 3.706 10 0 GHAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000194868943 888627210 /nfs/dbraw/zinc/62/72/10/888627210.db2.gz PMYSYUGYVUJTCO-VQTJNVASSA-N 0 0 398.528 3.591 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ccncc1 ZINC000245392844 888744080 /nfs/dbraw/zinc/74/40/80/888744080.db2.gz BTFYSNZDEHLBPE-CZGNIMDHSA-N 0 0 377.488 3.732 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000245562653 888955316 /nfs/dbraw/zinc/95/53/16/888955316.db2.gz VPZKAZQEEXOMIZ-BPAFIMBUSA-N 0 0 396.512 3.774 10 0 GHAERN CC[C@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245689025 889229386 /nfs/dbraw/zinc/22/93/86/889229386.db2.gz LIIJDBYBKMDRCS-UXHICEINSA-N 0 0 395.503 3.599 10 0 GHAERN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245746641 889617671 /nfs/dbraw/zinc/61/76/71/889617671.db2.gz CSTCKVKWMOLLAB-CGTJXYLNSA-N 0 0 385.895 3.581 10 0 GHAERN Cc1sc2ncc(C(=O)N3[C@H](C)C[C@H](c4ccccc4)[C@H]3C)c(=O)n2c1C ZINC000245867841 889889600 /nfs/dbraw/zinc/88/96/00/889889600.db2.gz IVFQWPDKYUVNDK-MRRJBJDNSA-N 0 0 381.501 3.780 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000246080577 890319541 /nfs/dbraw/zinc/31/95/41/890319541.db2.gz UYADZWNDASFUJK-WMLDXEAASA-N 0 0 393.409 3.621 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246136032 890460298 /nfs/dbraw/zinc/46/02/98/890460298.db2.gz PGFHGLDXHROFNW-DFQSSKMNSA-N 0 0 397.519 3.747 10 0 GHAERN C[C@@H]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1n1ccnc1 ZINC000246330483 891022262 /nfs/dbraw/zinc/02/22/62/891022262.db2.gz GCMWSONYBVTPHH-OAUYIBNBSA-N 0 0 382.291 3.723 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccncc1 ZINC000067997638 891167137 /nfs/dbraw/zinc/16/71/37/891167137.db2.gz WDCWGMTYJXPRCH-RISCZKNCSA-N 0 0 378.259 3.619 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000068304750 891175467 /nfs/dbraw/zinc/17/54/67/891175467.db2.gz VCHFQQVHUOVVHT-HNNXBMFYSA-N 0 0 377.444 3.549 10 0 GHAERN O=Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)cc1 ZINC000068354494 891176927 /nfs/dbraw/zinc/17/69/27/891176927.db2.gz XAZHYSSYLOJEEI-UHFFFAOYSA-N 0 0 378.407 3.875 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N3CCC[C@H](c4nccs4)C3)CC2)cs1 ZINC000068355297 891177058 /nfs/dbraw/zinc/17/70/58/891177058.db2.gz QPOXTPKEFXGVBD-INIZCTEOSA-N 0 0 390.578 3.526 10 0 GHAERN CO[C@@H](C)c1noc(CN2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000246453265 891248250 /nfs/dbraw/zinc/24/82/50/891248250.db2.gz LOQWSKAGQKYELS-UONOGXRCSA-N 0 0 381.908 3.928 10 0 GHAERN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246705253 891300166 /nfs/dbraw/zinc/30/01/66/891300166.db2.gz SBZARHPRMCZINE-JLJPHGGASA-N 0 0 376.428 3.786 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3N3C[C@H](C)O[C@@H](C)C3)CCO2)o1 ZINC000246725130 891301805 /nfs/dbraw/zinc/30/18/05/891301805.db2.gz NSVVTWFFLAJNRX-FIKGOQFSSA-N 0 0 399.491 3.807 10 0 GHAERN C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C[C@H](c2ccsc2)O1 ZINC000246859606 891317749 /nfs/dbraw/zinc/31/77/49/891317749.db2.gz PNIRRVYEWZGQKZ-JRPNMDOOSA-N 0 0 399.438 3.584 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000247055762 891340097 /nfs/dbraw/zinc/34/00/97/891340097.db2.gz VQPWYRXFJUNFFB-NJYVYQBISA-N 0 0 380.488 3.701 10 0 GHAERN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247563274 891385392 /nfs/dbraw/zinc/38/53/92/891385392.db2.gz RWCJIMPNZUFWAV-XUVXKRRUSA-N 0 0 385.508 3.572 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000248610272 891445131 /nfs/dbraw/zinc/44/51/31/891445131.db2.gz HTMVYTFRYXJRNH-SUNYJGFJSA-N 0 0 386.377 3.540 10 0 GHAERN CC[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248644311 891451713 /nfs/dbraw/zinc/45/17/13/891451713.db2.gz ZQFWSLCYMHADOA-ZTNFWEORSA-N 0 0 375.488 3.887 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)cc1 ZINC000248573758 891463177 /nfs/dbraw/zinc/46/31/77/891463177.db2.gz SFUGLTJMQAHEOV-WOJBJXKFSA-N 0 0 389.540 3.707 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc2ccn(C)c21 ZINC000249054037 891491051 /nfs/dbraw/zinc/49/10/51/891491051.db2.gz OPXFLKUNBHTVBO-VQIMIIECSA-N 0 0 377.492 3.605 10 0 GHAERN Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)c2)cs1 ZINC000251530290 891624096 /nfs/dbraw/zinc/62/40/96/891624096.db2.gz DDIQGVJJBJERJS-COLAKMGYSA-N 0 0 384.501 3.727 10 0 GHAERN CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252736277 891731844 /nfs/dbraw/zinc/73/18/44/891731844.db2.gz TWEJTSRLMHTESH-IEBWSBKVSA-N 0 0 378.394 3.624 10 0 GHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000163070527 893810671 /nfs/dbraw/zinc/81/06/71/893810671.db2.gz RSSXWVUTYWMHKS-YOEHRIQHSA-N 0 0 385.899 3.912 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3cc(-c4csc(C)n4)c[nH]3)C2)c1 ZINC000102382942 898007139 /nfs/dbraw/zinc/00/71/39/898007139.db2.gz IMYPOLQNFBUOGO-OAHLLOKOSA-N 0 0 396.516 3.712 10 0 GHAERN CC(C)c1nc(CCNC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cs1 ZINC000102458040 898009853 /nfs/dbraw/zinc/00/98/53/898009853.db2.gz JYXPUSSCFRHDKY-UHFFFAOYSA-N 0 0 383.521 3.836 10 0 GHAERN CN(C)C(=O)C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 ZINC000103877506 898112017 /nfs/dbraw/zinc/11/20/17/898112017.db2.gz XJXANLJDKZKSGZ-SFHVURJKSA-N 0 0 377.916 3.691 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCCc3ccc4c(c3)CC(=O)N4)c21 ZINC000104411635 898144423 /nfs/dbraw/zinc/14/44/23/898144423.db2.gz LSMVTZQYDVMEIW-UHFFFAOYSA-N 0 0 375.472 3.653 10 0 GHAERN CC(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1CCOCC2(CC2)C1 ZINC000333068579 899936362 /nfs/dbraw/zinc/93/63/62/899936362.db2.gz FYZSXEWFZNKIQT-VQTJNVASSA-N 0 0 396.535 3.796 10 0 GHAERN CC(C)(c1noc(-c2nc3ncc(Br)cn3n2)n1)C1CCCCC1 ZINC000333218077 900044483 /nfs/dbraw/zinc/04/44/83/900044483.db2.gz RCCIAYMVTOJCKQ-UHFFFAOYSA-N 0 0 391.273 3.795 10 0 GHAERN CC(C)(c1noc(-c2ccc3c(c2)CCCN3S(C)(=O)=O)n1)C1CCC1 ZINC000333254567 901944598 /nfs/dbraw/zinc/94/45/98/901944598.db2.gz SPGMLGKJRUGIIB-UHFFFAOYSA-N 0 0 375.494 3.527 10 0 GHAERN CN(C)c1ncccc1O[C@@H]1CCN(C(=O)c2scnc2C2CCCC2)C1 ZINC000333404775 902066503 /nfs/dbraw/zinc/06/65/03/902066503.db2.gz FXEQXCVXQQTQOX-OAHLLOKOSA-N 0 0 386.521 3.555 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@H]3c3ccc(C)c(C)c3)O2)n1 ZINC000333716991 902289029 /nfs/dbraw/zinc/28/90/29/902289029.db2.gz NFMNCOMGXSWMCR-QYZOEREBSA-N 0 0 384.480 3.762 10 0 GHAERN O=C(Nc1cccc2cc(Br)cnc21)N1CC[C@@H](O)CC12CCC2 ZINC000333885034 902397784 /nfs/dbraw/zinc/39/77/84/902397784.db2.gz VPGQZPUJRTYBIU-CQSZACIVSA-N 0 0 390.281 3.909 10 0 GHAERN O=C1CC2(CCCCC2)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)N1 ZINC000333909226 902418066 /nfs/dbraw/zinc/41/80/66/902418066.db2.gz WJXAZSGHTLSWTA-QGZVFWFLSA-N 0 0 377.488 3.595 10 0 GHAERN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333925970 902429865 /nfs/dbraw/zinc/42/98/65/902429865.db2.gz VAQJXYGBNQNKKZ-ZVDOUQERSA-N 0 0 378.472 3.913 10 0 GHAERN CC(C)CCO[C@H]1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000176590008 905880959 /nfs/dbraw/zinc/88/09/59/905880959.db2.gz ZWDIKZBHDNVQRF-KRWDZBQOSA-N 0 0 391.899 3.986 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000181379044 906986259 /nfs/dbraw/zinc/98/62/59/906986259.db2.gz MSMSXXWLBQNNJG-DLBZAZTESA-N 0 0 399.495 3.514 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)nn(CC(F)(F)F)c2C)cs1 ZINC000187110226 908038970 /nfs/dbraw/zinc/03/89/70/908038970.db2.gz LRWMWDWSLGBVPB-HNNXBMFYSA-N 0 0 386.443 3.733 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000189070815 908278628 /nfs/dbraw/zinc/27/86/28/908278628.db2.gz HGPLADAJIAPZGJ-LBPRGKRZSA-N 0 0 386.200 3.605 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000189080558 908280631 /nfs/dbraw/zinc/28/06/31/908280631.db2.gz BGGBBRCDAHLRJN-QFBILLFUSA-N 0 0 378.432 3.724 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2csc(C)c2)C1 ZINC000189213847 908297347 /nfs/dbraw/zinc/29/73/47/908297347.db2.gz OXCIQECUNDIKSM-GOEBONIOSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2nc(-c3ccccc3)cs2)cs1 ZINC000189462051 908328227 /nfs/dbraw/zinc/32/82/27/908328227.db2.gz IEOJNVMIPCAYNE-INIZCTEOSA-N 0 0 398.513 3.877 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)cs1 ZINC000190007068 908401099 /nfs/dbraw/zinc/40/10/99/908401099.db2.gz JUWOHKIKEITZTO-BZNIZROVSA-N 0 0 377.897 3.587 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3ccc(F)cc3c2C)C1 ZINC000190008035 908401151 /nfs/dbraw/zinc/40/11/51/908401151.db2.gz HRKPLMMBHFJTRV-JSGCOSHPSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000190009802 908402057 /nfs/dbraw/zinc/40/20/57/908402057.db2.gz QDVMVBKTWDUAFE-SJORKVTESA-N 0 0 389.883 3.832 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000190026878 908406763 /nfs/dbraw/zinc/40/67/63/908406763.db2.gz QNZAXMAJYMIDNO-UXHICEINSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000190026895 908407038 /nfs/dbraw/zinc/40/70/38/908407038.db2.gz QNZAXMAJYMIDNO-WOJBJXKFSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000190075292 908420663 /nfs/dbraw/zinc/42/06/63/908420663.db2.gz RMZLIYKCGPDERJ-DGCLKSJQSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C1 ZINC000190133958 908435730 /nfs/dbraw/zinc/43/57/30/908435730.db2.gz WATXXLCSPFFTLT-NVXWUHKLSA-N 0 0 397.435 3.644 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCSc4c(F)cccc43)CCO2)n1 ZINC000194072512 908914216 /nfs/dbraw/zinc/91/42/16/908914216.db2.gz HKRMDPOTLFQJMR-LSDHHAIUSA-N 0 0 393.509 3.911 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CCO2)n1 ZINC000194324523 908937067 /nfs/dbraw/zinc/93/70/67/908937067.db2.gz GUZNLVTVMFXKHY-WBVHZDCISA-N 0 0 387.505 3.837 10 0 GHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(Br)c1 ZINC000716223322 977821147 /nfs/dbraw/zinc/82/11/47/977821147.db2.gz ROFFFYOBRXPUHL-KRWDZBQOSA-N 0 0 389.293 3.511 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccccc3C[S@](C)=O)C2)cc1 ZINC000184288167 1014573841 /nfs/dbraw/zinc/57/38/41/1014573841.db2.gz IZIFVQHUGDGCNU-ZAPUSCAOSA-N 0 0 386.517 3.984 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N([C@@H](C)C(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185253184 1014577574 /nfs/dbraw/zinc/57/75/74/1014577574.db2.gz OOQCQNYSDFMLGC-VBKZILBWSA-N 0 0 375.488 3.838 10 0 GHAERN CCC(=O)Nc1nc2cc(NS(=O)(=O)Cc3ccccc3)ccc2s1 ZINC000015870021 210177024 /nfs/dbraw/zinc/17/70/24/210177024.db2.gz FNHSKJKFXGPSEO-UHFFFAOYSA-N 0 0 375.475 3.587 10 0 GHAERN C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000015159739 210155120 /nfs/dbraw/zinc/15/51/20/210155120.db2.gz DPTZOOXIEWHODB-AKRZDELNSA-N 0 0 386.488 3.647 10 0 GHAERN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2OC)COC1=O ZINC000001531914 209331743 /nfs/dbraw/zinc/33/17/43/209331743.db2.gz ANFSXHKDCKWWDB-UHFFFAOYSA-N 0 0 394.379 3.932 10 0 biogenic,in-vitro GHAERN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSc2ccccc2)[C@H]1C ZINC000100334193 209243579 /nfs/dbraw/zinc/24/35/79/209243579.db2.gz NPGXSXQWVRRLAU-ZDUSSCGKSA-N 0 0 375.490 3.672 10 0 GHAERN O=C(N1CCN(c2ccnc3cc(Cl)ccc32)CC1)C(Cl)(Cl)Cl ZINC000006094316 209233436 /nfs/dbraw/zinc/23/34/36/209233436.db2.gz JGCSGGCUMJTQTI-UHFFFAOYSA-N 0 0 393.101 3.907 10 0 GHAERN CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000014598288 209172134 /nfs/dbraw/zinc/17/21/34/209172134.db2.gz JRDGTDPBIKUGOL-VQIMIIECSA-N 0 0 378.538 3.512 10 0 GHAERN CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccccc2NCc2ccccc2)C1 ZINC000255187808 211994344 /nfs/dbraw/zinc/99/43/44/211994344.db2.gz GWMROFXRWTUVAT-UHFFFAOYSA-N 0 0 395.503 3.895 10 0 GHAERN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)C3CC3)n2)c1 ZINC000096294058 211331670 /nfs/dbraw/zinc/33/16/70/211331670.db2.gz LJJLJBVQSFUEPD-UHFFFAOYSA-N 0 0 377.444 3.727 10 0 GHAERN Cc1oc(C2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc1C(=O)N(C)C ZINC000096397044 211339726 /nfs/dbraw/zinc/33/97/26/211339726.db2.gz HJXHPEDFUNGGCE-UHFFFAOYSA-N 0 0 388.443 3.544 10 0 GHAERN CC(C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)NCc1ccc(F)cc1Cl ZINC000096396585 211339601 /nfs/dbraw/zinc/33/96/01/211339601.db2.gz NZHABNLJRTWYME-LJQANCHMSA-N 0 0 388.870 3.877 10 0 GHAERN CCn1c(C[C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2cccnc21 ZINC000096124912 211303027 /nfs/dbraw/zinc/30/30/27/211303027.db2.gz CQGRQPBURZDCDF-MRXNPFEDSA-N 0 0 385.471 3.704 10 0 GHAERN Fc1cnc(N2Cc3cc(Oc4cccnc4)ccc3[C@H]2c2cnco2)nc1 ZINC000096087065 211300375 /nfs/dbraw/zinc/30/03/75/211300375.db2.gz MIBFTNJDOKTJPQ-IBGZPJMESA-N 0 0 375.363 3.901 10 0 GHAERN CC(C)(C)OC(=O)n1nc(I)c2cc(F)c(F)cc21 ZINC000095757023 211282740 /nfs/dbraw/zinc/28/27/40/211282740.db2.gz MWTLZOCZPCBQQX-UHFFFAOYSA-N 0 0 380.132 3.702 10 0 GHAERN CC(=O)N(CC(=O)OC(C)(C)C)c1cccc(C(=O)OCc2ccccc2)c1 ZINC000095081165 211218833 /nfs/dbraw/zinc/21/88/33/211218833.db2.gz KJXIZISTEFOQHK-UHFFFAOYSA-N 0 0 383.444 3.738 10 0 GHAERN CNc1nc2ccccc2nc1N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095075764 211218853 /nfs/dbraw/zinc/21/88/53/211218853.db2.gz XLUNZGANKQCKCQ-OAHLLOKOSA-N 0 0 385.512 3.755 10 0 GHAERN CNc1nc2ccccc2nc1N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075763 211218730 /nfs/dbraw/zinc/21/87/30/211218730.db2.gz JZHGVSXVTIKABO-HNNXBMFYSA-N 0 0 385.512 3.897 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(Br)cc2)C1 ZINC000095084703 211218001 /nfs/dbraw/zinc/21/80/01/211218001.db2.gz BJFPFIDXBVQFLE-AWEZNQCLSA-N 0 0 397.313 3.712 10 0 GHAERN CC(=O)Oc1cc(C)c(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000077269738 211128678 /nfs/dbraw/zinc/12/86/78/211128678.db2.gz ANUDIDCCGVOCOU-QGZVFWFLSA-N 0 0 390.480 3.957 10 0 in-vitro GHAERN O=c1c2cc(-c3ccc(F)cc3)nn2cnn1Cc1ccccc1C(F)(F)F ZINC000067260034 211005357 /nfs/dbraw/zinc/00/53/57/211005357.db2.gz WCCBRSSSGVLQBX-UHFFFAOYSA-N 0 0 388.324 3.764 10 0 GHAERN CC1CCN(C(=O)c2cc3c(s2)CC[C@H](C(=O)N2CCC(C)CC2)C3)CC1 ZINC000065272624 210982477 /nfs/dbraw/zinc/98/24/77/210982477.db2.gz NITPDBIJYDTFBS-KRWDZBQOSA-N 0 0 388.577 3.984 10 0 GHAERN COC(=O)c1c2ccc3ccccc3n2c(C(=O)c2ccccc2)c1C(=O)OC ZINC000048523597 210857397 /nfs/dbraw/zinc/85/73/97/210857397.db2.gz SIQFOGGKZOKJBP-UHFFFAOYSA-N 0 0 387.391 3.897 10 0 GHAERN Nc1c(N(Cc2ccccc2)c2ccccn2)ncnc1-n1nnc2ccccc21 ZINC000040799088 210795085 /nfs/dbraw/zinc/79/50/85/210795085.db2.gz BDMZXOIULIAYEE-UHFFFAOYSA-N 0 0 394.442 3.526 10 0 GHAERN Cc1ccc(C(=O)N(C)C2CCCCC2)c(C2CCN(C(=O)C3CC3)CC2)n1 ZINC000034675832 210658519 /nfs/dbraw/zinc/65/85/19/210658519.db2.gz BAMIQSHWSAQNBN-UHFFFAOYSA-N 0 0 383.536 3.911 10 0 GHAERN COc1ccc(NC(=O)c2ccnc(Nc3ccc4c(c3)OCCO4)c2)cc1 ZINC000021881876 210396437 /nfs/dbraw/zinc/39/64/37/210396437.db2.gz VHYUHXMAZXJPNJ-UHFFFAOYSA-N 0 0 377.400 3.857 10 0 GHAERN O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2ccccc2C1 ZINC000021033626 210373947 /nfs/dbraw/zinc/37/39/47/210373947.db2.gz RRWAAAODXRMFTH-UHFFFAOYSA-N 0 0 380.469 3.966 10 0 GHAERN Cc1cccc(NC(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)cc2)c1C ZINC000020369733 210329872 /nfs/dbraw/zinc/32/98/72/210329872.db2.gz KXXVBNBWYJXTAA-SFHVURJKSA-N 0 0 393.487 3.751 10 0 GHAERN O=C(Cc1ccc(Cl)cc1)NC[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000012181807 221162905 /nfs/dbraw/zinc/16/29/05/221162905.db2.gz PJCALFHYUINQBE-GOSISDBHSA-N 0 0 397.837 3.599 10 0 GHAERN COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1[C@H](C(=O)OC)c1ccccc1 ZINC000503990671 533369551 /nfs/dbraw/zinc/36/95/51/533369551.db2.gz OMTBLFCKFVDJFM-NJYVYQBISA-N 0 0 381.472 3.712 10 0 GHAERN C[C@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000065289535 136162618 /nfs/dbraw/zinc/16/26/18/136162618.db2.gz TWHXYVSUCLCMHG-QZTJIDSGSA-N 0 0 396.535 3.548 10 0 GHAERN Cc1scc2nc(C)nc(N3CCC(C(=O)NCc4ccccc4F)CC3)c12 ZINC000065301532 136162923 /nfs/dbraw/zinc/16/29/23/136162923.db2.gz DTFYFXZHKQCVAG-UHFFFAOYSA-N 0 0 398.507 3.980 10 0 GHAERN Cc1ccc(Cn2c3nnc(-c4cccc(O)c4)n3c3ccccc3c2=O)cc1 ZINC000006781171 570284094 /nfs/dbraw/zinc/28/40/94/570284094.db2.gz CQIDWFRYZBHJOM-UHFFFAOYSA-N 0 0 382.423 3.774 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)[C@H](NS(=O)(=O)c1cccs1)C(C)C ZINC000006818361 570284930 /nfs/dbraw/zinc/28/49/30/570284930.db2.gz RLFBSPWOAVDYSD-OAHLLOKOSA-N 0 0 386.926 3.652 10 0 GHAERN O=C([C@H](Cc1ccccc1)n1cccc1)N1CCN(c2ccccc2F)CC1 ZINC000004910861 570417281 /nfs/dbraw/zinc/41/72/81/570417281.db2.gz MMVLTSHPVUABJC-QFIPXVFZSA-N 0 0 377.463 3.760 10 0 GHAERN CC(C)NC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000036054730 570524133 /nfs/dbraw/zinc/52/41/33/570524133.db2.gz JDAJZTFOEXHVBE-RBUKOAKNSA-N 0 0 388.870 3.860 10 0 GHAERN O=C(CCc1c[nH]c2ccccc12)NC[C@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000011871279 570588865 /nfs/dbraw/zinc/58/88/65/570588865.db2.gz DLGHTKWYQLVOFB-LJQANCHMSA-N 0 0 398.466 3.677 10 0 GHAERN O=S(=O)(c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001509348 570588936 /nfs/dbraw/zinc/58/89/36/570588936.db2.gz RWZKQHNSSCRPHI-UHFFFAOYSA-N 0 0 391.297 3.731 10 0 GHAERN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC[C@H]4CCCO4)cc3)ccc21 ZINC000065026850 570649823 /nfs/dbraw/zinc/64/98/23/570649823.db2.gz TUMPAPGXRYLSCJ-HXUWFJFHSA-N 0 0 378.472 3.562 10 0 GHAERN Cc1ccccc1NC(=O)CCC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000065274121 570776444 /nfs/dbraw/zinc/77/64/44/570776444.db2.gz OKCQMRPEIKBLCW-UHFFFAOYSA-N 0 0 379.508 3.995 10 0 GHAERN CCOc1ccc(OCC)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000156688383 834502994 /nfs/dbraw/zinc/50/29/94/834502994.db2.gz BSUWPTTVNOEKTD-UHFFFAOYSA-N 0 0 386.496 3.704 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@H](C)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000156763558 834544930 /nfs/dbraw/zinc/54/49/30/834544930.db2.gz RZPRKQQYLNZXKK-AWEZNQCLSA-N 0 0 389.521 3.675 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc([S@@](C)=O)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000245464177 834616023 /nfs/dbraw/zinc/61/60/23/834616023.db2.gz HSGOEYZCSMVWJC-YHOLXWODSA-N 0 0 376.453 3.557 10 0 GHAERN O=C(c1n[nH]c2ccc(Cl)cc21)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329295570 834785226 /nfs/dbraw/zinc/78/52/26/834785226.db2.gz SMFIHBKVJZLPNV-SECBINFHSA-N 0 0 397.788 3.978 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c1)c1ccccc1 ZINC000157327643 834869155 /nfs/dbraw/zinc/86/91/55/834869155.db2.gz WIJNTLZLCUZYNU-FQEVSTJZSA-N 0 0 389.459 3.832 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C3CC3)CC2)nc1 ZINC000157471463 834932913 /nfs/dbraw/zinc/93/29/13/834932913.db2.gz CNDKHTXNNLXBQL-UHFFFAOYSA-N 0 0 381.524 3.519 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000158216215 835276612 /nfs/dbraw/zinc/27/66/12/835276612.db2.gz JFRDETWUNWUYQY-HNNXBMFYSA-N 0 0 385.468 3.939 10 0 GHAERN O=C(CCc1ccccc1O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000101520968 835298990 /nfs/dbraw/zinc/29/89/90/835298990.db2.gz YUEWMXFSSMFCGU-SFHVURJKSA-N 0 0 390.277 3.687 10 0 GHAERN Clc1ccc(SCCc2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)cc1 ZINC000329707427 835735509 /nfs/dbraw/zinc/73/55/09/835735509.db2.gz KMMJKRMNYBGTHA-HOCLYGCPSA-N 0 0 379.913 3.984 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3cccc(C(=O)NCc4ccco4)c3)CCO2)o1 ZINC000159193671 835755497 /nfs/dbraw/zinc/75/54/97/835755497.db2.gz BDBSKPYJIRCWIT-OAQYLSRUSA-N 0 0 380.444 3.685 10 0 GHAERN COC(=O)c1cccc(NC(=O)/C=C\c2ccnc(Cl)c2)c1Br ZINC000588590478 835797334 /nfs/dbraw/zinc/79/73/34/835797334.db2.gz GMDUKSMGHBXLGN-WAYWQWQTSA-N 0 0 395.640 3.936 10 0 GHAERN C[C@@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000329790151 835979702 /nfs/dbraw/zinc/97/97/02/835979702.db2.gz SVPYXCGSTRZIEC-OAHLLOKOSA-N 0 0 384.501 3.629 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCC2 ZINC000247008175 836212930 /nfs/dbraw/zinc/21/29/30/836212930.db2.gz KFHJHVWIZYXWBS-UBHSHLNASA-N 0 0 378.398 3.614 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccnc(OC3CCCC3)c1)C2 ZINC000112742621 836279540 /nfs/dbraw/zinc/27/95/40/836279540.db2.gz NVQYCXNGRCTFCE-UHFFFAOYSA-N 0 0 397.523 3.528 10 0 GHAERN O=C(NCCCc1nc2ccccc2[nH]1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177365 837272156 /nfs/dbraw/zinc/27/21/56/837272156.db2.gz QAQMRXUEZHHWLN-JOCHJYFZSA-N 0 0 385.471 3.979 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC[C@H](c4nnc[nH]4)C3)sc2C1 ZINC000408426172 844330047 /nfs/dbraw/zinc/33/00/47/844330047.db2.gz RDMISXCBAHUBGJ-STQMWFEESA-N 0 0 388.541 3.824 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)c1cccnc1SCC1CCCCC1)CC2 ZINC000115387361 839126706 /nfs/dbraw/zinc/12/67/06/839126706.db2.gz ZFVFAYRCHAVIPP-MRXNPFEDSA-N 0 0 399.564 3.653 10 0 GHAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119117724 840044112 /nfs/dbraw/zinc/04/41/12/840044112.db2.gz NRMQLBUQBFMGSB-HTAPYJJXSA-N 0 0 399.466 3.850 10 0 GHAERN O=C(C=Cc1ccnc(Cl)c1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000588392257 840370608 /nfs/dbraw/zinc/37/06/08/840370608.db2.gz HIXJOQUVTAPFFV-JJEJIETFSA-N 0 0 393.878 3.940 10 0 GHAERN O=C(NCc1ccnc(N2CCCCCC2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000332795833 844555002 /nfs/dbraw/zinc/55/50/02/844555002.db2.gz IWJPQDZOKQFULZ-YKSBVNFPSA-N 0 0 391.515 3.819 10 0 GHAERN Cc1noc([C@H](C)N2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)n1 ZINC000106132482 840646686 /nfs/dbraw/zinc/64/66/86/840646686.db2.gz SDVAMVPNSHYBNM-AWEZNQCLSA-N 0 0 385.899 3.767 10 0 GHAERN C[C@H]1C[C@H](C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)CC(C)(C)C1 ZINC000183962624 840721928 /nfs/dbraw/zinc/72/19/28/840721928.db2.gz PNSHWCLVRAHXBI-IRXDYDNUSA-N 0 0 390.572 3.864 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Br)ccc32)no1 ZINC000332804516 844569720 /nfs/dbraw/zinc/56/97/20/844569720.db2.gz GDFBGXQBCQORLL-HUUCEWRRSA-N 0 0 391.269 3.675 10 0 GHAERN COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000332852100 844594499 /nfs/dbraw/zinc/59/44/99/844594499.db2.gz LJVMMQKXXPRWHY-NBMJBFSESA-N 0 0 380.492 3.500 10 0 GHAERN O=C(NCc1ccc(Br)s1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408128984 841072665 /nfs/dbraw/zinc/07/26/65/841072665.db2.gz MRIFKPYYPFLEAM-MCIONIFRSA-N 0 0 387.343 3.736 10 0 GHAERN CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]34CCOc3ccccc34)cn2)CC1 ZINC000332891962 844612362 /nfs/dbraw/zinc/61/23/62/844612362.db2.gz OEEXSUDDHLGUIJ-HYBUGGRVSA-N 0 0 391.515 3.675 10 0 GHAERN O=C(NCc1ccccc1Br)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408147741 841155922 /nfs/dbraw/zinc/15/59/22/841155922.db2.gz IBTYUFOIBBCGML-OIISXLGYSA-N 0 0 381.314 3.674 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N[C@H]3CCOc4c(C)cccc43)cc21 ZINC000189696417 841232971 /nfs/dbraw/zinc/23/29/71/841232971.db2.gz ADFSFNVYPFJFOG-SFHVURJKSA-N 0 0 394.475 3.732 10 0 GHAERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000332929799 841606255 /nfs/dbraw/zinc/60/62/55/841606255.db2.gz BKYVBRVYVLTJHI-QCSYZSNVSA-N 0 0 379.520 3.782 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408186970 842040645 /nfs/dbraw/zinc/04/06/45/842040645.db2.gz KDOUHMCZYIKYNC-FMSQNYNMSA-N 0 0 383.300 3.960 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408192602 842245626 /nfs/dbraw/zinc/24/56/26/842245626.db2.gz OEKQGCVOZGJDAA-LASHMREHSA-N 0 0 392.927 3.895 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000588433815 842430051 /nfs/dbraw/zinc/43/00/51/842430051.db2.gz IQKHQCVLCGKBEH-SREVYHEPSA-N 0 0 391.855 3.806 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(F)c(Cl)cc1Cl ZINC000588434069 842453092 /nfs/dbraw/zinc/45/30/92/842453092.db2.gz TZGJEWPFBPHNQF-PLNGDYQASA-N 0 0 377.243 3.943 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000588434770 842514574 /nfs/dbraw/zinc/51/45/74/842514574.db2.gz YCCHBBJOFRECLZ-PLNGDYQASA-N 0 0 391.855 3.806 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc3ccccc3c(=O)[nH]1)CCCC2 ZINC000279134283 842629531 /nfs/dbraw/zinc/62/95/31/842629531.db2.gz FKAGFOHYYPRUAJ-LJQANCHMSA-N 0 0 376.460 3.530 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1nc(C(F)(F)F)cs1 ZINC000279157928 842659897 /nfs/dbraw/zinc/65/98/97/842659897.db2.gz JZMUSNXUHXUUJZ-PGUXBMHVSA-N 0 0 377.432 3.560 10 0 GHAERN CC(=O)N1CC[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000408353810 842753681 /nfs/dbraw/zinc/75/36/81/842753681.db2.gz DPPWWOWLHPWUTA-CQSZACIVSA-N 0 0 391.924 3.524 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000162727058 842856344 /nfs/dbraw/zinc/85/63/44/842856344.db2.gz FOUFLGWNFDLXQV-UHFFFAOYSA-N 0 0 384.480 3.778 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H](C)c3noc(-c4ccccc4)n3)nc21 ZINC000163028734 842945924 /nfs/dbraw/zinc/94/59/24/842945924.db2.gz UDESELIYFIFJHJ-CQSZACIVSA-N 0 0 375.432 3.731 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)nc21 ZINC000163028619 842946400 /nfs/dbraw/zinc/94/64/00/842946400.db2.gz UDESELIYFIFJHJ-AWEZNQCLSA-N 0 0 375.432 3.731 10 0 GHAERN COc1cccc(-c2nc(C)c(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)[nH]2)c1 ZINC000161886411 843158258 /nfs/dbraw/zinc/15/82/58/843158258.db2.gz VGPHVVZQSJJUJP-GOSISDBHSA-N 0 0 381.432 3.509 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)OC1CCN(CC(F)F)CC1)O[C@@H](C)C2 ZINC000588448310 843185316 /nfs/dbraw/zinc/18/53/16/843185316.db2.gz RLRHVFZGHYGTNU-WSNITJDQSA-N 0 0 395.446 3.695 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)OC1CCN(CC(F)F)CC1)O[C@H](C)C2 ZINC000588448314 843185563 /nfs/dbraw/zinc/18/55/63/843185563.db2.gz RLRHVFZGHYGTNU-ZRUQZJFASA-N 0 0 395.446 3.695 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cnn(-c3ccccc3)c2C2CC2)CC1 ZINC000162504085 843267256 /nfs/dbraw/zinc/26/72/56/843267256.db2.gz TZMDHZQLVUTDLX-UHFFFAOYSA-N 0 0 389.503 3.578 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000588451901 843307469 /nfs/dbraw/zinc/30/74/69/843307469.db2.gz MUEDAODWRVEGGJ-SREVYHEPSA-N 0 0 391.393 3.897 10 0 GHAERN COc1ccc(Cn2ncc(C)c2NC(=O)/C=C\c2ncccc2C)cc1OC ZINC000588452431 843308729 /nfs/dbraw/zinc/30/87/29/843308729.db2.gz YYORBCILAOQVCJ-NTMALXAHSA-N 0 0 392.459 3.612 10 0 GHAERN O=C(Nc1nc2ccccc2s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112383705 843348797 /nfs/dbraw/zinc/34/87/97/843348797.db2.gz QDERCAYRRZAQJU-UHFFFAOYSA-N 0 0 386.502 3.738 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408265885 843671174 /nfs/dbraw/zinc/67/11/74/843671174.db2.gz VEARXCMCLBAEPD-IIAWOOMASA-N 0 0 389.462 3.588 10 0 GHAERN O=C(N[C@H]1CCO[C@H](c2cccs2)C1)N1CCC2(C1)Oc1ccccc1O2 ZINC000333050900 843918676 /nfs/dbraw/zinc/91/86/76/843918676.db2.gz BNHCRRKEULUDRS-YOEHRIQHSA-N 0 0 386.473 3.551 10 0 GHAERN O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cnc(-c2ccccc2)nc1 ZINC000333326524 844709920 /nfs/dbraw/zinc/70/99/20/844709920.db2.gz LYXASUTUNVQBQK-UHFFFAOYSA-N 0 0 385.411 3.543 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000151656640 845420125 /nfs/dbraw/zinc/42/01/25/845420125.db2.gz JAYWBKLTJNYKTN-HNNXBMFYSA-N 0 0 398.898 3.814 10 0 GHAERN CC(C)Cc1ccc(CCC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000151671657 845469415 /nfs/dbraw/zinc/46/94/15/845469415.db2.gz YBGSXBKHLHWVHB-UNMCSNQZSA-N 0 0 383.536 3.523 10 0 GHAERN C[C@H]1CCc2sc(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)cc2C1 ZINC000026152827 845476017 /nfs/dbraw/zinc/47/60/17/845476017.db2.gz CNYBLZFUOZJECS-WFASDCNBSA-N 0 0 375.515 3.521 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Sc2ccccc2Cl)C1 ZINC000248968556 845482064 /nfs/dbraw/zinc/48/20/64/845482064.db2.gz OSOMKWXWHIOAHZ-ZKYQVNSYSA-N 0 0 381.885 3.501 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000248988877 845487086 /nfs/dbraw/zinc/48/70/86/845487086.db2.gz WHBQHUBMBYFITO-XWPNQZOQSA-N 0 0 377.444 3.623 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(CN4CCCC4=O)cc3)c21 ZINC000103129649 845664545 /nfs/dbraw/zinc/66/45/45/845664545.db2.gz JOVPFPRYSAYRFE-UHFFFAOYSA-N 0 0 375.472 3.571 10 0 GHAERN COC(=O)c1cc(F)ccc1CSc1nnc(-c2ccncc2)n1C1CC1 ZINC000103349720 845709420 /nfs/dbraw/zinc/70/94/20/845709420.db2.gz NDWCKOLFIFWRCB-UHFFFAOYSA-N 0 0 384.436 3.893 10 0 GHAERN C/C=C\c1ccc(OCC(=O)N(C)c2cccc(Br)n2)c(OC)c1 ZINC000588495639 846092097 /nfs/dbraw/zinc/09/20/97/846092097.db2.gz IHTBXVMJKUICDL-XQRVVYSFSA-N 0 0 391.265 3.928 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000333531574 846229565 /nfs/dbraw/zinc/22/95/65/846229565.db2.gz YDPFFNYURAZUHW-MCIONIFRSA-N 0 0 380.476 3.852 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)cnn1-c1ccc(Cl)cc1 ZINC000329570686 861688442 /nfs/dbraw/zinc/68/84/42/861688442.db2.gz QKBILZLQNKKEOS-JQFCIGGWSA-N 0 0 384.867 3.934 10 0 GHAERN COc1cccc(/C=C(\C(=O)O[C@H](C)CCCC(F)(F)F)n2nnnc2C)c1 ZINC000588510114 846770641 /nfs/dbraw/zinc/77/06/41/846770641.db2.gz HBELRNDJBZZLOV-PILJQMSFSA-N 0 0 398.385 3.653 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000118670263 847033511 /nfs/dbraw/zinc/03/35/11/847033511.db2.gz DUGLFSOHSBQVMZ-GOSISDBHSA-N 0 0 384.911 3.727 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000045440048 847098315 /nfs/dbraw/zinc/09/83/15/847098315.db2.gz PTCIEOXXUUDDGU-IAGOWNOFSA-N 0 0 397.441 3.584 10 0 GHAERN C[C@@H]1CN(C(=O)NC2CCN(c3cccs3)CC2)C[C@@H](c2ccsc2)O1 ZINC000152560897 847314406 /nfs/dbraw/zinc/31/44/06/847314406.db2.gz NXGLUEVQIJUGFS-PBHICJAKSA-N 0 0 391.562 3.950 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000152600231 847399476 /nfs/dbraw/zinc/39/94/76/847399476.db2.gz IWLJREQANZVTQE-UHFFFAOYSA-N 0 0 395.507 3.693 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3nc(-c4ccoc4)no3)C2)cc1 ZINC000152655780 847480983 /nfs/dbraw/zinc/48/09/83/847480983.db2.gz ICYLGOALYWJSQJ-PBHICJAKSA-N 0 0 381.432 3.675 10 0 GHAERN CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@H]1CCCN(c2cccnn2)C1 ZINC000329634591 861855404 /nfs/dbraw/zinc/85/54/04/861855404.db2.gz XPJIWPPVIFXZNE-SFHVURJKSA-N 0 0 391.519 3.996 10 0 GHAERN CC1(C)CO[C@@H](c2ccccc2)CN1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000066897561 847974403 /nfs/dbraw/zinc/97/44/03/847974403.db2.gz DYLGUKCDKUTMJT-MRXNPFEDSA-N 0 0 395.528 3.825 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccnc2-c2csc(C)c2)c1 ZINC000588545950 848208507 /nfs/dbraw/zinc/20/85/07/848208507.db2.gz HMTHJDWKIMZXNS-WAYWQWQTSA-N 0 0 378.457 3.525 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccnc2-c2ccc(C)s2)c1 ZINC000588546011 848211346 /nfs/dbraw/zinc/21/13/46/848211346.db2.gz HFRVHEOCKDLQRQ-VURMDHGXSA-N 0 0 378.457 3.525 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cnn1-c1cccc(C)c1 ZINC000329647918 861898563 /nfs/dbraw/zinc/89/85/63/861898563.db2.gz AUMJMGGLGVAYLD-GOSISDBHSA-N 0 0 379.464 3.973 10 0 GHAERN O=C(c1csc([C@@H]2CCCO2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000153555819 848647945 /nfs/dbraw/zinc/64/79/45/848647945.db2.gz NQGCSQDQCXEGRM-KRWDZBQOSA-N 0 0 375.469 3.850 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1Cl ZINC000154153631 849196265 /nfs/dbraw/zinc/19/62/65/849196265.db2.gz HDDOJDUCAAPVNX-INIZCTEOSA-N 0 0 378.812 3.633 10 0 GHAERN Cc1nc2sc3c(c2c(N2CCC([C@H](O)c4nccn4C)CC2)n1)CCCC3 ZINC000154882133 849393135 /nfs/dbraw/zinc/39/31/35/849393135.db2.gz BAXBRMGSZJNQLL-SFHVURJKSA-N 0 0 397.548 3.562 10 0 GHAERN Cc1cccc(F)c1-n1nc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2c1CCC2 ZINC000333754635 850076805 /nfs/dbraw/zinc/07/68/05/850076805.db2.gz OCMFPUGTVMTREZ-HJPURHCSSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333828097 851217805 /nfs/dbraw/zinc/21/78/05/851217805.db2.gz KZGBFJQBTRTRNB-CVDGIAQOSA-N 0 0 386.540 3.544 10 0 GHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)[C@H](C)c1ccccc1C(F)(F)F ZINC000164059282 851221779 /nfs/dbraw/zinc/22/17/79/851221779.db2.gz VGNXTAWJHOGHRZ-UONOGXRCSA-N 0 0 395.429 3.836 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCCc2cnn(-c3ccccc3)c2)cc1C ZINC000101606267 851725534 /nfs/dbraw/zinc/72/55/34/851725534.db2.gz LJMKFMVGCUOIQX-UHFFFAOYSA-N 0 0 392.503 3.882 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1F ZINC000101748285 851866754 /nfs/dbraw/zinc/86/67/54/851866754.db2.gz UBDBIZWRKWLPRG-AWEZNQCLSA-N 0 0 379.476 3.629 10 0 GHAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000101776498 851899450 /nfs/dbraw/zinc/89/94/50/851899450.db2.gz HSFRYCUZOXOARK-OAQYLSRUSA-N 0 0 383.492 3.755 10 0 GHAERN Cc1nc([C@@H]2CCCN2c2nnc(-c3cc4c(s3)CCCCC4)n2C)no1 ZINC000329807210 862335111 /nfs/dbraw/zinc/33/51/11/862335111.db2.gz BHTXYYUGMZIXBO-AWEZNQCLSA-N 0 0 384.509 3.845 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)cccc1N1CCNC1=O ZINC000164609970 853614463 /nfs/dbraw/zinc/61/44/63/853614463.db2.gz AEPYSHFRQSHBAX-UYAOXDASSA-N 0 0 397.519 3.669 10 0 GHAERN CC(C)n1cc(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000122971227 854317397 /nfs/dbraw/zinc/31/73/97/854317397.db2.gz PHKZSBWNBISEAU-KRWDZBQOSA-N 0 0 375.494 3.579 10 0 GHAERN O=C(CC[C@@H]1CCCCO1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330092290 862569136 /nfs/dbraw/zinc/56/91/36/862569136.db2.gz YMCJUCOOQXXBRT-SELNLUPBSA-N 0 0 395.503 3.966 10 0 GHAERN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)C1 ZINC000328873739 854592254 /nfs/dbraw/zinc/59/22/54/854592254.db2.gz YZHSGAUCJZAIKE-LFDJNIOPSA-N 0 0 390.572 3.716 10 0 GHAERN COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC2(CCCCC2)CC1 ZINC000188577040 854879914 /nfs/dbraw/zinc/87/99/14/854879914.db2.gz DFCIIJQHJIKSIR-UHFFFAOYSA-N 0 0 379.522 3.675 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127570046 855024309 /nfs/dbraw/zinc/02/43/09/855024309.db2.gz VHPAKBGEFCAWKW-AEGPPILISA-N 0 0 379.291 3.627 10 0 GHAERN C[C@@H](C(=O)NCC1CCCCC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692205 855132429 /nfs/dbraw/zinc/13/24/29/855132429.db2.gz PWLOJCNVWRVAFR-WIUDPPPLSA-N 0 0 392.384 3.844 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105712413 855135861 /nfs/dbraw/zinc/13/58/61/855135861.db2.gz KVLBMFJCGZIUBU-CEXHIMGSSA-N 0 0 387.461 3.729 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)C[C@@H]1C ZINC000190685423 855499447 /nfs/dbraw/zinc/49/94/47/855499447.db2.gz YSDCQEKCPPOUHD-JSGCOSHPSA-N 0 0 384.879 3.597 10 0 GHAERN CC(C)CCO[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000180998021 855516372 /nfs/dbraw/zinc/51/63/72/855516372.db2.gz SHKQYSPYBJJPHU-AYOQOUSVSA-N 0 0 382.451 3.641 10 0 GHAERN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000155722035 862780411 /nfs/dbraw/zinc/78/04/11/862780411.db2.gz LFUBRZKUOWSMSP-RGYTYGDFSA-N 0 0 392.368 3.905 10 0 GHAERN COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccccc2C)c2nccn2C)c1 ZINC000045595612 856741103 /nfs/dbraw/zinc/74/11/03/856741103.db2.gz DSQRJDCETCUSQK-JXFKEZNVSA-N 0 0 378.476 3.887 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H](c1ccccc1)c1ccccn1 ZINC000046571388 856872012 /nfs/dbraw/zinc/87/20/12/856872012.db2.gz GMHWGWPWNKPEET-VLSFKVKESA-N 0 0 397.478 3.893 10 0 GHAERN CN(C(=O)c1ccc2[nH]c3c(c2c1)CCCC3)[C@H]1CCCN(c2cccnn2)C1 ZINC000136365812 857294414 /nfs/dbraw/zinc/29/44/14/857294414.db2.gz VHUXCJSPAUQFEL-KRWDZBQOSA-N 0 0 389.503 3.578 10 0 GHAERN CCCCc1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000014660823 857397865 /nfs/dbraw/zinc/39/78/65/857397865.db2.gz PAMDIBHKINZILX-UHFFFAOYSA-N 0 0 390.484 3.511 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)OCC(=O)N2 ZINC000129924109 858337946 /nfs/dbraw/zinc/33/79/46/858337946.db2.gz SMZWBBKWIPAZOH-QGZVFWFLSA-N 0 0 378.428 3.584 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067388050 858610759 /nfs/dbraw/zinc/61/07/59/858610759.db2.gz PXSBLXVFBVJQIG-UYAOXDASSA-N 0 0 398.528 3.884 10 0 GHAERN Cc1nc(S(=O)(=O)CC(=O)N2[C@H](C)CCC[C@H]2C)n(C2CCCCC2)c1C ZINC000072055654 858788916 /nfs/dbraw/zinc/78/89/16/858788916.db2.gz KZALKBYXEMSXRM-HUUCEWRRSA-N 0 0 395.569 3.568 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C12CCCC2 ZINC000133719685 858816644 /nfs/dbraw/zinc/81/66/44/858816644.db2.gz WBYSHRCCMSVQDV-UXHICEINSA-N 0 0 385.508 3.797 10 0 GHAERN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCC(c2cc[nH]n2)CC1 ZINC000125361844 858919336 /nfs/dbraw/zinc/91/93/36/858919336.db2.gz ULVASGXOKSYDQC-UHFFFAOYSA-N 0 0 395.484 3.929 10 0 GHAERN O=C(N[C@H]1CCCc2occc21)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000332998881 859043911 /nfs/dbraw/zinc/04/39/11/859043911.db2.gz GDOOPIUXEGQWNO-WMZOPIPTSA-N 0 0 396.491 3.515 10 0 GHAERN Cc1cccc(-c2noc(CN3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920619 860064643 /nfs/dbraw/zinc/06/46/43/860064643.db2.gz BMFMSPLPZTXNIG-GOSISDBHSA-N 0 0 395.438 3.580 10 0 GHAERN COc1ccccc1C1(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)CCCC1 ZINC000171352603 860424675 /nfs/dbraw/zinc/42/46/75/860424675.db2.gz JBMOJPGLJDMAAD-IBGZPJMESA-N 0 0 382.508 3.787 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CCO2)c1 ZINC000171918872 860430201 /nfs/dbraw/zinc/43/02/01/860430201.db2.gz JAFDBRRLOUXMDI-LEWJYISDSA-N 0 0 382.508 3.533 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(c3nc(C)nc4sc5c(c43)CCC5)C2)n1 ZINC000171986997 860430266 /nfs/dbraw/zinc/43/02/66/860430266.db2.gz JSSPFSDPUSNXAY-HNNXBMFYSA-N 0 0 382.537 3.613 10 0 GHAERN Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1 ZINC000173778996 860443430 /nfs/dbraw/zinc/44/34/30/860443430.db2.gz ZEGDNPKCLHXLPO-GOSISDBHSA-N 0 0 381.476 3.726 10 0 GHAERN CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc2s1 ZINC000173906065 860444436 /nfs/dbraw/zinc/44/44/36/860444436.db2.gz JOPGMTBVTCCODL-OAHLLOKOSA-N 0 0 388.537 3.532 10 0 GHAERN C[C@H]1CCc2ccccc2N1C(=O)CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000174249533 860448201 /nfs/dbraw/zinc/44/82/01/860448201.db2.gz BPLHJTMFGJSOIG-HNNXBMFYSA-N 0 0 380.492 3.674 10 0 GHAERN COCc1ccc(CNC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000102553037 860772112 /nfs/dbraw/zinc/77/21/12/860772112.db2.gz WUCVNMARSBAEJO-UHFFFAOYSA-N 0 0 383.423 3.669 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940619 860910513 /nfs/dbraw/zinc/91/05/13/860910513.db2.gz RZSQBSWACATIRN-IBGZPJMESA-N 0 0 390.443 3.648 10 0 GHAERN O=C1[C@H](N2CC[C@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058031 860981380 /nfs/dbraw/zinc/98/13/80/860981380.db2.gz TXAOTHNPTAPWHI-WMLDXEAASA-N 0 0 386.883 3.585 10 0 GHAERN COc1cc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@]3(C)O)[nH]c2cc1OC ZINC000329061344 860985018 /nfs/dbraw/zinc/98/50/18/860985018.db2.gz NNPFXTPDTHAXFB-REDKUUPNSA-N 0 0 386.492 3.731 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)Cc2nc3c(s2)CCCC3)CC1=O ZINC000176852335 863227405 /nfs/dbraw/zinc/22/74/05/863227405.db2.gz OFSBYXFIZOMYQC-WBVHZDCISA-N 0 0 397.544 3.590 10 0 GHAERN CC(C)COC1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000103156373 863896385 /nfs/dbraw/zinc/89/63/85/863896385.db2.gz FBJBPABXTAQXGC-UHFFFAOYSA-N 0 0 383.407 3.670 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3cc(Cl)c4c(c3)OCCO4)c21 ZINC000103129154 863926515 /nfs/dbraw/zinc/92/65/15/863926515.db2.gz HQAJCWTVESRTLV-UHFFFAOYSA-N 0 0 384.863 3.802 10 0 GHAERN O=C(Cn1ccc(=O)c2ccccc21)Nc1nnc(CC2CCCCC2)s1 ZINC000103420626 863977687 /nfs/dbraw/zinc/97/76/87/863977687.db2.gz WMYRULFGGNLQSO-UHFFFAOYSA-N 0 0 382.489 3.615 10 0 GHAERN COC(=O)c1cc(F)ccc1CN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000103466613 863996344 /nfs/dbraw/zinc/99/63/44/863996344.db2.gz ABLCIELMYSYKNJ-UHFFFAOYSA-N 0 0 383.366 3.854 10 0 GHAERN O=S(=O)(c1cccc2ncccc21)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103496977 864037988 /nfs/dbraw/zinc/03/79/88/864037988.db2.gz VIIMBHFAWGBLAI-SFHVURJKSA-N 0 0 388.876 3.650 10 0 GHAERN C[C@H](CC(=O)N(Cc1ccco1)C1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000103750545 864082269 /nfs/dbraw/zinc/08/22/69/864082269.db2.gz AQYWCMIZWLPAID-OAHLLOKOSA-N 0 0 393.480 3.942 10 0 GHAERN COc1ccc(N(C(=O)c2ccc(-n3cnnn3)cc2Cl)[C@H](C)C2CC2)cc1 ZINC000103782777 864092774 /nfs/dbraw/zinc/09/27/74/864092774.db2.gz XBIOVDYHKSDCPT-CYBMUJFWSA-N 0 0 397.866 3.770 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccccc1SCc1nc(C)no1 ZINC000104458630 864326208 /nfs/dbraw/zinc/32/62/08/864326208.db2.gz MQBYCNSWOBKLTP-UHFFFAOYSA-N 0 0 397.500 3.994 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178652461 865171678 /nfs/dbraw/zinc/17/16/78/865171678.db2.gz IBPQSGZDTMTXER-AVRDEDQJSA-N 0 0 381.476 3.711 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H](C)c1ccc3ccccc3c1)CC2 ZINC000249461122 866681640 /nfs/dbraw/zinc/68/16/40/866681640.db2.gz QXRZNYZWKVWYGG-MAODMQOUSA-N 0 0 382.504 3.862 10 0 GHAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000114741406 866770297 /nfs/dbraw/zinc/77/02/97/866770297.db2.gz MWMRUMBVDYHVPR-LLVKDONJSA-N 0 0 392.424 3.610 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)Cc1coc3cc(C)c(C(C)C)cc13)CC2 ZINC000114864766 866774844 /nfs/dbraw/zinc/77/48/44/866774844.db2.gz JIBRQIQULUICSO-MRXNPFEDSA-N 0 0 380.492 3.692 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)o1 ZINC000173591369 866808100 /nfs/dbraw/zinc/80/81/00/866808100.db2.gz WFKXJEUMRYBKGD-IRXDYDNUSA-N 0 0 388.489 3.743 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc(-c2ncon2)c1 ZINC000170632268 882042084 /nfs/dbraw/zinc/04/20/84/882042084.db2.gz ZQBFXSMTCZDDPB-UHFFFAOYSA-N 0 0 375.388 3.748 10 0 GHAERN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151216938 867058165 /nfs/dbraw/zinc/05/81/65/867058165.db2.gz NAJZDAUFQNRPSE-KSFYIVLOSA-N 0 0 399.512 3.954 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170672801 882046406 /nfs/dbraw/zinc/04/64/06/882046406.db2.gz AAZZWUQYWGOTKQ-ZGKFYVQTSA-N 0 0 375.476 3.632 10 0 GHAERN COc1ccccc1[C@H]1CCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000170837472 882058972 /nfs/dbraw/zinc/05/89/72/882058972.db2.gz FQAHESLASUWAMF-VQIMIIECSA-N 0 0 379.460 3.668 10 0 GHAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000170891074 882067195 /nfs/dbraw/zinc/06/71/95/882067195.db2.gz VKTIOXBUYFESCA-AEFFLSMTSA-N 0 0 385.533 3.612 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171170253 882086353 /nfs/dbraw/zinc/08/63/53/882086353.db2.gz OTZPXPPFALAHBD-NRFANRHFSA-N 0 0 382.479 3.815 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000171895084 882147235 /nfs/dbraw/zinc/14/72/35/882147235.db2.gz CPLDXIDWOCOENW-UHFFFAOYSA-N 0 0 396.760 3.656 10 0 GHAERN CC[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1nc(C)cs1 ZINC000171720627 882156372 /nfs/dbraw/zinc/15/63/72/882156372.db2.gz YCJCXBUBDAIGJN-KRWDZBQOSA-N 0 0 392.569 3.727 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000171767258 882160180 /nfs/dbraw/zinc/16/01/80/882160180.db2.gz CVNMIKJMTIULMO-GJZGRUSLSA-N 0 0 387.270 3.994 10 0 GHAERN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCOC2(CCCCC2)C1 ZINC000180980703 868223792 /nfs/dbraw/zinc/22/37/92/868223792.db2.gz ISYKRNCATDYSLM-ROUUACIJSA-N 0 0 380.435 3.540 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000172054643 882165726 /nfs/dbraw/zinc/16/57/26/882165726.db2.gz BBRGJHBNRQQITQ-YCRPNKLZSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)NCc3coc(-c4cccs4)n3)CC2)n1 ZINC000172053729 882165745 /nfs/dbraw/zinc/16/57/45/882165745.db2.gz FKIDCKVIKVDQGO-UHFFFAOYSA-N 0 0 397.504 3.575 10 0 GHAERN Cc1ccc2cccc(NC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)c2n1 ZINC000172062052 882165972 /nfs/dbraw/zinc/16/59/72/882165972.db2.gz AMJPYMPGBZVFMR-QGZVFWFLSA-N 0 0 386.459 3.997 10 0 GHAERN Cc1c(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)oc2ccccc12 ZINC000172078178 882167702 /nfs/dbraw/zinc/16/77/02/882167702.db2.gz NNYGUPUTNVSINP-UHFFFAOYSA-N 0 0 382.485 3.971 10 0 GHAERN COc1cc2c(cc1OC)C(=O)N[C@H](c1c(Cl)n(C)nc1-c1ccccc1)N2 ZINC000172096154 882168682 /nfs/dbraw/zinc/16/86/82/882168682.db2.gz NNGMJRUXXMKYJF-LJQANCHMSA-N 0 0 398.850 3.612 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000173822498 869116800 /nfs/dbraw/zinc/11/68/00/869116800.db2.gz ALFUPYWKHOUQND-ZDUSSCGKSA-N 0 0 389.399 3.738 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000172638287 882281323 /nfs/dbraw/zinc/28/13/23/882281323.db2.gz JGQFPQLABSQZOV-XLIONFOSSA-N 0 0 388.895 3.589 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000172639856 882282633 /nfs/dbraw/zinc/28/26/33/882282633.db2.gz KVXKSUUTJQQOFC-AZUAARDMSA-N 0 0 388.895 3.589 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000172639851 882282779 /nfs/dbraw/zinc/28/27/79/882282779.db2.gz KVXKSUUTJQQOFC-ICSRJNTNSA-N 0 0 388.895 3.589 10 0 GHAERN CN(Cc1csc2ccccc12)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172523185 882293172 /nfs/dbraw/zinc/29/31/72/882293172.db2.gz NKXFBCGHYHPHCV-UHFFFAOYSA-N 0 0 392.440 3.548 10 0 GHAERN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172497648 882289105 /nfs/dbraw/zinc/28/91/05/882289105.db2.gz XMROGMNKVXJLQD-VXLXPWSCSA-N 0 0 386.517 3.514 10 0 GHAERN Cc1nc(C[C@H]2CCCN(Cc3cc(Br)cc4c3OCC4)C2)no1 ZINC000153826593 869352839 /nfs/dbraw/zinc/35/28/39/869352839.db2.gz LZIWEDYEODOILQ-CYBMUJFWSA-N 0 0 392.297 3.530 10 0 GHAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cc2ccccc2s1 ZINC000172560734 882295097 /nfs/dbraw/zinc/29/50/97/882295097.db2.gz CZRFEBZXZSILAW-GFCCVEGCSA-N 0 0 392.440 3.767 10 0 GHAERN O=C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172750175 882305552 /nfs/dbraw/zinc/30/55/52/882305552.db2.gz GBVGQDZJEPQEQI-UHFFFAOYSA-N 0 0 391.515 3.776 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000172890143 882321653 /nfs/dbraw/zinc/32/16/53/882321653.db2.gz JVRSNZJYMSOUGH-UHFFFAOYSA-N 0 0 378.432 3.603 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2cc(OC)c(OC)cc2F)cc1 ZINC000172904777 882323568 /nfs/dbraw/zinc/32/35/68/882323568.db2.gz XGTMUEOQGKRKKY-GOSISDBHSA-N 0 0 388.439 3.627 10 0 GHAERN COc1ccccc1C/C(C)=C/C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000114651566 869706162 /nfs/dbraw/zinc/70/61/62/869706162.db2.gz HFJJZXOWLODLFX-ARKBFRDHSA-N 0 0 395.434 3.920 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)n1 ZINC000173964666 869977575 /nfs/dbraw/zinc/97/75/75/869977575.db2.gz LDRXXCKZTHZMMY-IRXDYDNUSA-N 0 0 389.565 3.621 10 0 GHAERN C[C@@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)c1nc(C2CCCCC2)no1 ZINC000173463043 882363898 /nfs/dbraw/zinc/36/38/98/882363898.db2.gz AQCCFAAOVHLJCS-CJNGLKHVSA-N 0 0 397.479 3.604 10 0 GHAERN O=C(NCCc1nc(C(F)(F)F)cs1)N1CCC(Cc2ccccn2)CC1 ZINC000173552116 882378421 /nfs/dbraw/zinc/37/84/21/882378421.db2.gz BENFHSIPFRWMAN-UHFFFAOYSA-N 0 0 398.454 3.764 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cc1 ZINC000173582030 882382785 /nfs/dbraw/zinc/38/27/85/882382785.db2.gz LYSXYEQLPVVVHT-QJXUFPCYSA-N 0 0 385.467 3.999 10 0 GHAERN O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cnc(-c2ccccc2)nc1 ZINC000186915942 870242560 /nfs/dbraw/zinc/24/25/60/870242560.db2.gz LBLYRTVSRUVTNS-UONOGXRCSA-N 0 0 385.411 3.543 10 0 GHAERN COc1cccc(Cl)c1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000173701405 882393986 /nfs/dbraw/zinc/39/39/86/882393986.db2.gz BDXRXJLSPJGYJL-UHFFFAOYSA-N 0 0 378.900 3.603 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3C)CC2)cc1 ZINC000173796905 882404738 /nfs/dbraw/zinc/40/47/38/882404738.db2.gz SVPVOTQOOMIQMS-UHFFFAOYSA-N 0 0 393.487 3.517 10 0 GHAERN CNC(=O)c1ccc(CSCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000173819244 882406629 /nfs/dbraw/zinc/40/66/29/882406629.db2.gz QZDQGNURMACPQY-FQEVSTJZSA-N 0 0 398.528 3.652 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)[C@]3(C)CCCc4ccccc43)C2)c1 ZINC000102383853 882416291 /nfs/dbraw/zinc/41/62/91/882416291.db2.gz JNJLILXEIMOSSF-HOYKHHGWSA-N 0 0 378.516 3.932 10 0 GHAERN Cc1ccc(N2CCCN([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)nn1 ZINC000106073281 870616853 /nfs/dbraw/zinc/61/68/53/870616853.db2.gz BOTJDOZWGQSYDI-HNNXBMFYSA-N 0 0 398.898 3.762 10 0 GHAERN Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174089505 882425589 /nfs/dbraw/zinc/42/55/89/882425589.db2.gz NSRGMHLJMMKGLU-UHFFFAOYSA-N 0 0 399.495 3.708 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 ZINC000109670363 870647951 /nfs/dbraw/zinc/64/79/51/870647951.db2.gz QTQMCWUGQBCFEA-MRXNPFEDSA-N 0 0 382.508 3.806 10 0 GHAERN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1n[nH]c2cccc(F)c21 ZINC000174323374 882450847 /nfs/dbraw/zinc/45/08/47/882450847.db2.gz DFWCAHUCQJYAFI-UHFFFAOYSA-N 0 0 385.786 3.977 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)O[C@@H](c2ccccc2)c2cccnc2)C1 ZINC000102969576 870870138 /nfs/dbraw/zinc/87/01/38/870870138.db2.gz NSHFAQDJDGNGHQ-WMQCIHAUSA-N 0 0 380.488 3.999 10 0 GHAERN CN(C)C(=O)c1cc(N[C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)ccc1F ZINC000367368390 870998243 /nfs/dbraw/zinc/99/82/43/870998243.db2.gz SUKHAEIZYLQJJC-LEWJYISDSA-N 0 0 395.478 3.618 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c2ccccc21 ZINC000248502837 871030912 /nfs/dbraw/zinc/03/09/12/871030912.db2.gz UKQRKXRVYQBRGR-YSGRDPCXSA-N 0 0 378.476 3.515 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000175237679 882561193 /nfs/dbraw/zinc/56/11/93/882561193.db2.gz KLJIDWHFIFUHJP-UYAOXDASSA-N 0 0 384.545 3.976 10 0 GHAERN COc1cccc(Cc2nnc(SCc3ccc(-n4ccnc4)nc3)o2)c1 ZINC000175259985 882562369 /nfs/dbraw/zinc/56/23/69/882562369.db2.gz SONTTXUQNZZGQG-UHFFFAOYSA-N 0 0 379.445 3.542 10 0 GHAERN O=C(NCc1cc(F)cc(F)c1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000175654590 882569459 /nfs/dbraw/zinc/56/94/59/882569459.db2.gz PVJQPOBJMXNXKB-INIZCTEOSA-N 0 0 399.441 3.791 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000127421447 872081187 /nfs/dbraw/zinc/08/11/87/872081187.db2.gz RNGSNIQHLCETEX-OAQYLSRUSA-N 0 0 383.536 3.887 10 0 GHAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000114935598 872113977 /nfs/dbraw/zinc/11/39/77/872113977.db2.gz APQITABHMSHEMX-RHSMWYFYSA-N 0 0 391.924 3.659 10 0 GHAERN C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000175569946 882598635 /nfs/dbraw/zinc/59/86/35/882598635.db2.gz KDHJKNVNHLEDGY-AEFFLSMTSA-N 0 0 384.524 3.763 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175617884 882605628 /nfs/dbraw/zinc/60/56/28/882605628.db2.gz XQCSPEYILCWLST-MSOLQXFVSA-N 0 0 394.556 3.878 10 0 GHAERN CC[C@H](NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)c1nccs1 ZINC000175802406 882632712 /nfs/dbraw/zinc/63/27/12/882632712.db2.gz DVZHDRVMFHXPNS-GUYCJALGSA-N 0 0 375.494 3.811 10 0 GHAERN O=C(Nc1ccccc1CN1CCSCC1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000175791286 882628059 /nfs/dbraw/zinc/62/80/59/882628059.db2.gz JHNYKZUOGHCQRN-WOJBJXKFSA-N 0 0 399.564 3.737 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCCCn2c(C)nc3ccccc32)C1 ZINC000102125494 872616580 /nfs/dbraw/zinc/61/65/80/872616580.db2.gz NCLOZGLOXTVPKL-WMZOPIPTSA-N 0 0 385.508 3.563 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000175807912 882634615 /nfs/dbraw/zinc/63/46/15/882634615.db2.gz JKULSGBNLHBJHH-AREMUKBSSA-N 0 0 376.453 3.638 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CCc3nc4c(cccc4C)[nH]3)cc2)n1 ZINC000175819003 882636216 /nfs/dbraw/zinc/63/62/16/882636216.db2.gz CXSIQOPMDLTDOU-UHFFFAOYSA-N 0 0 387.443 3.501 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000176242536 882648717 /nfs/dbraw/zinc/64/87/17/882648717.db2.gz WKJNKQCQDQFVRL-WUKNDPDISA-N 0 0 384.520 3.786 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000115159421 873049994 /nfs/dbraw/zinc/04/99/94/873049994.db2.gz ZHXXOJDORUHSGC-IBGZPJMESA-N 0 0 382.485 3.634 10 0 GHAERN COCCCCCNC(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 ZINC000176344333 882681301 /nfs/dbraw/zinc/68/13/01/882681301.db2.gz XIHKGIGQYRWLHH-UHFFFAOYSA-N 0 0 396.875 3.517 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000176569087 882714503 /nfs/dbraw/zinc/71/45/03/882714503.db2.gz RHFVDBQDKSJKEV-YPAWHYETSA-N 0 0 398.478 3.811 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)c3cccnc3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102744484 873526387 /nfs/dbraw/zinc/52/63/87/873526387.db2.gz FINQZGZJTWKTLU-CHWSQXEVSA-N 0 0 379.382 3.966 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(-c4ccco4)nc3C)CC2)n1 ZINC000116667929 873614592 /nfs/dbraw/zinc/61/45/92/873614592.db2.gz DHKVSGADCDTKPG-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000176855908 882744477 /nfs/dbraw/zinc/74/44/77/882744477.db2.gz RGIUGDBZDLCLFN-OAHLLOKOSA-N 0 0 386.471 3.567 10 0 GHAERN Cn1ccnc1-c1cccc(NC(=O)C(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000176954386 882752986 /nfs/dbraw/zinc/75/29/86/882752986.db2.gz LULLTWKXAMVRCN-KRWDZBQOSA-N 0 0 396.516 3.991 10 0 GHAERN COc1cc(F)c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1F ZINC000176961120 882755025 /nfs/dbraw/zinc/75/50/25/882755025.db2.gz VFZGZVJXYZYBMS-UHFFFAOYSA-N 0 0 380.416 3.526 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)n1 ZINC000116999769 873804759 /nfs/dbraw/zinc/80/47/59/873804759.db2.gz IPBIDCPWVWNOHY-UHFFFAOYSA-N 0 0 393.491 3.529 10 0 GHAERN O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000018832754 873988743 /nfs/dbraw/zinc/98/87/43/873988743.db2.gz VCFNABDRLVBTDX-UHFFFAOYSA-N 0 0 388.870 3.690 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000177357910 882789638 /nfs/dbraw/zinc/78/96/38/882789638.db2.gz HAHDBJXAVLWTPI-HIFRSBDPSA-N 0 0 386.452 3.572 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000177357925 882789714 /nfs/dbraw/zinc/78/97/14/882789714.db2.gz HAHDBJXAVLWTPI-UKRRQHHQSA-N 0 0 386.452 3.572 10 0 GHAERN CC(C)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 ZINC000004288764 874193749 /nfs/dbraw/zinc/19/37/49/874193749.db2.gz XHKPZEWCLKOCGQ-QHCPKHFHSA-N 0 0 393.487 3.692 10 0 GHAERN COc1ccccc1[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000177505865 882808238 /nfs/dbraw/zinc/80/82/38/882808238.db2.gz BSJWVFYQOBQBEY-DENIHFKCSA-N 0 0 390.487 3.855 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2)cc1)c1cccs1 ZINC000177746059 882822189 /nfs/dbraw/zinc/82/21/89/882822189.db2.gz ROVRHBIOCRIBDX-KRWDZBQOSA-N 0 0 380.473 3.502 10 0 GHAERN Cc1nnc([C@H](NC(=O)NCc2ccccc2OC2CCC2)c2ccccc2)[nH]1 ZINC000118587030 874560963 /nfs/dbraw/zinc/56/09/63/874560963.db2.gz MIMBDPVJKJCVFA-HXUWFJFHSA-N 0 0 391.475 3.633 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407769 882852072 /nfs/dbraw/zinc/85/20/72/882852072.db2.gz OTKKQNYAMZXPTG-ZWKOTPCHSA-N 0 0 398.507 3.715 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000177971871 882852736 /nfs/dbraw/zinc/85/27/36/882852736.db2.gz IVSAZGWJCZIOPE-UHFFFAOYSA-N 0 0 394.446 3.836 10 0 GHAERN O=C(Cc1csc(N2CCCC2=O)n1)OCCc1ccccc1C(F)(F)F ZINC000105776468 875457924 /nfs/dbraw/zinc/45/79/24/875457924.db2.gz JFKIVSUDEBCZFN-UHFFFAOYSA-N 0 0 398.406 3.617 10 0 GHAERN CC(C)N(CCc1nccs1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000178919243 882935438 /nfs/dbraw/zinc/93/54/38/882935438.db2.gz FPGFHWNLXHGCOD-UHFFFAOYSA-N 0 0 391.562 3.537 10 0 GHAERN C[C@H](CCc1ccc(O)cc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179405136 882970686 /nfs/dbraw/zinc/97/06/86/882970686.db2.gz VOEIUXDEPDPVBW-MRXNPFEDSA-N 0 0 398.478 3.521 10 0 GHAERN COc1cc(C)c([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000179144189 882975442 /nfs/dbraw/zinc/97/54/42/882975442.db2.gz KKAFBYQBMKBTGY-FOIQADDNSA-N 0 0 388.464 3.758 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(N4CCCC4=O)cc3)CCO2)o1 ZINC000179186905 882978012 /nfs/dbraw/zinc/97/80/12/882978012.db2.gz JEGVIKUONIELHN-OXQOHEQNSA-N 0 0 397.475 3.559 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2ncc(Br)s2)c2ccccc2)[nH]1 ZINC000179223135 882981160 /nfs/dbraw/zinc/98/11/60/882981160.db2.gz BWQQQJXFLVOPEI-ZANVPECISA-N 0 0 378.299 3.772 10 0 GHAERN COc1ccc2[nH]cc(C3=CCN(C(=O)C[C@@H](O)c4ccccc4)CC3)c2c1 ZINC000179694390 883018795 /nfs/dbraw/zinc/01/87/95/883018795.db2.gz INQUYGYYQFPBJQ-JOCHJYFZSA-N 0 0 376.456 3.916 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179753385 883026618 /nfs/dbraw/zinc/02/66/18/883026618.db2.gz YSYQDLDNERHKSJ-UHFFFAOYSA-N 0 0 380.964 3.812 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F ZINC000179798480 883027010 /nfs/dbraw/zinc/02/70/10/883027010.db2.gz SXOLHOPQGXEPED-IBGZPJMESA-N 0 0 394.450 3.873 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cccc1N(C)C ZINC000180174495 883064201 /nfs/dbraw/zinc/06/42/01/883064201.db2.gz JPBVNOCUUKLAFS-MRXNPFEDSA-N 0 0 378.480 3.515 10 0 GHAERN O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCC[C@H](c2nccs2)C1 ZINC000180503699 883078471 /nfs/dbraw/zinc/07/84/71/883078471.db2.gz STFJTEZQYMDRHA-NSHDSACASA-N 0 0 391.859 3.536 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000121906434 878033300 /nfs/dbraw/zinc/03/33/00/878033300.db2.gz XEMXBQGELODEPA-HOCLYGCPSA-N 0 0 381.432 3.675 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(N4CCOC4=O)cc3)C2)cc1 ZINC000122014091 878226065 /nfs/dbraw/zinc/22/60/65/878226065.db2.gz BDAKBGQNTZHVJA-QAPCUYQASA-N 0 0 380.444 3.670 10 0 GHAERN O=C(c1cncc(I)c1)N1CC=C(c2cccs2)CC1 ZINC000122235803 878572487 /nfs/dbraw/zinc/57/24/87/878572487.db2.gz OQLRQMKFOOVPFM-UHFFFAOYSA-N 0 0 396.253 3.677 10 0 GHAERN O[C@@]12CCCC[C@@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)CC2 ZINC000093585064 878814237 /nfs/dbraw/zinc/81/42/37/878814237.db2.gz YDAUWMQEOOCMEY-DNVCBOLYSA-N 0 0 390.325 3.966 10 0 GHAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103517702 881264572 /nfs/dbraw/zinc/26/45/72/881264572.db2.gz UZWRMEFWDMVWIH-UHFFFAOYSA-N 0 0 389.418 3.762 10 0 GHAERN Cc1nc([C@@H](NC(=O)[C@@H](C)Oc2cccc(C=O)c2)c2ccc(Cl)cc2)no1 ZINC000181285490 883132146 /nfs/dbraw/zinc/13/21/46/883132146.db2.gz RFBIXHPJSJWFJM-XIKOKIGWSA-N 0 0 399.834 3.517 10 0 GHAERN O=C(N[C@H]1CCCOc2cc(F)ccc21)c1cccc(CN2CCCC2=O)c1 ZINC000181635535 883169380 /nfs/dbraw/zinc/16/93/80/883169380.db2.gz ASLZBEHOBYBFHU-IBGZPJMESA-N 0 0 382.435 3.592 10 0 GHAERN CS(=O)(=O)C[C@H](NCc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000181773616 883183807 /nfs/dbraw/zinc/18/38/07/883183807.db2.gz IYEGHAJGPFNOTB-KRWDZBQOSA-N 0 0 390.892 3.871 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC[C@H](CCO)c1ccccc1 ZINC000182658590 883230227 /nfs/dbraw/zinc/23/02/27/883230227.db2.gz GMLVSONACXWHJK-VQTJNVASSA-N 0 0 384.524 3.819 10 0 GHAERN COc1ccccc1C(=O)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000183797688 883289212 /nfs/dbraw/zinc/28/92/12/883289212.db2.gz ZKPFIYDIJCDPEP-QGZVFWFLSA-N 0 0 389.455 3.674 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@@H]3c3cccnc3)CC2)nc1 ZINC000183587948 883290045 /nfs/dbraw/zinc/29/00/45/883290045.db2.gz FPZUQYWOLGQTRV-FXAWDEMLSA-N 0 0 379.508 3.547 10 0 GHAERN O=C(N[C@H](CC1CCC1)c1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000183624288 883291836 /nfs/dbraw/zinc/29/18/36/883291836.db2.gz WBPOADBHPWSROO-OAQYLSRUSA-N 0 0 396.535 3.696 10 0 GHAERN Cc1ccc(C(=O)CCCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034954 883301198 /nfs/dbraw/zinc/30/11/98/883301198.db2.gz MDAMDBLKAKDZBY-SIKLNZKXSA-N 0 0 393.531 3.770 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2cc3ccccc3o2)c2ccc(F)cc2C1 ZINC000184030103 883301629 /nfs/dbraw/zinc/30/16/29/883301629.db2.gz ITDOEGCPHNOGPA-HXUWFJFHSA-N 0 0 395.434 3.865 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCCSCC(C)C)c2ccc(F)cc2C1 ZINC000184035983 883301782 /nfs/dbraw/zinc/30/17/82/883301782.db2.gz MHGNUWGQJQBVDW-IBGZPJMESA-N 0 0 395.544 3.698 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC(C)(C)c2ccccc2)c2ccc(F)cc2C1 ZINC000184030332 883301909 /nfs/dbraw/zinc/30/19/09/883301909.db2.gz UGYPWKZNHNGCLX-NRFANRHFSA-N 0 0 397.494 3.896 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)nc2Cl)c2ccc(F)cc2C1 ZINC000184163551 883325831 /nfs/dbraw/zinc/32/58/31/883325831.db2.gz YTGAVPXRRRYACZ-OAHLLOKOSA-N 0 0 396.249 3.751 10 0 GHAERN O=C(Nc1ccc(Cl)cc1OC(F)F)NC1CCN(c2ncccn2)CC1 ZINC000184395772 883348337 /nfs/dbraw/zinc/34/83/37/883348337.db2.gz GLLZCHOTPXXDOZ-UHFFFAOYSA-N 0 0 397.813 3.522 10 0 GHAERN CCOc1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184826490 883384933 /nfs/dbraw/zinc/38/49/33/883384933.db2.gz HFDGVGHZZKEDHN-HXUWFJFHSA-N 0 0 385.439 3.839 10 0 GHAERN CC(C)[C@@H](NC(=O)C=Cc1ccc2ccccc2c1)c1nc(-c2nc[nH]n2)no1 ZINC000184794880 883394594 /nfs/dbraw/zinc/39/45/94/883394594.db2.gz KFRBUCAFFQOXQC-XSFOEPMVSA-N 0 0 388.431 3.535 10 0 GHAERN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc1C ZINC000185064689 883416221 /nfs/dbraw/zinc/41/62/21/883416221.db2.gz WSWYDUCTUVTYEO-SFHVURJKSA-N 0 0 375.476 3.812 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000185131101 883423169 /nfs/dbraw/zinc/42/31/69/883423169.db2.gz PQFHPYWTKSNPKM-LSDHHAIUSA-N 0 0 397.508 3.957 10 0 GHAERN CCOc1ccccc1CCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185509893 883547293 /nfs/dbraw/zinc/54/72/93/883547293.db2.gz XTEGMFUBVYAZLQ-OAQYLSRUSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(Cl)c2F)c2ccc(F)cc2C1 ZINC000185507585 883547645 /nfs/dbraw/zinc/54/76/45/883547645.db2.gz KWRYJONDODXTNM-QGZVFWFLSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2ccc(C)c(C)c2)c2ccc(F)cc2C1 ZINC000185535726 883551814 /nfs/dbraw/zinc/55/18/14/883551814.db2.gz OSPOWNDZMLBIBO-JOCHJYFZSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)c2ccc(F)cc2C1 ZINC000185538390 883552585 /nfs/dbraw/zinc/55/25/85/883552585.db2.gz YVIYRWALFHWXOM-IBGZPJMESA-N 0 0 376.378 3.636 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C2(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000185539002 883552895 /nfs/dbraw/zinc/55/28/95/883552895.db2.gz HVEKTXITYGHOLV-OAQYLSRUSA-N 0 0 380.463 3.758 10 0 GHAERN CC(C)(C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000185547660 883553902 /nfs/dbraw/zinc/55/39/02/883553902.db2.gz ONJMOZAXKARPAU-UHFFFAOYSA-N 0 0 379.504 3.761 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)/C=C(\C)c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185544442 883553918 /nfs/dbraw/zinc/55/39/18/883553918.db2.gz IKCFQKDBUYIJEE-PAGBRTJLSA-N 0 0 384.426 3.978 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2ccccc2OC(C)C)c2ccc(F)cc2C1 ZINC000185555635 883555381 /nfs/dbraw/zinc/55/53/81/883555381.db2.gz BVHAHJFZPCGBTO-NRFANRHFSA-N 0 0 398.478 3.765 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2nccc3ccccc32)c2ccc(F)cc2C1 ZINC000185556605 883555560 /nfs/dbraw/zinc/55/55/60/883555560.db2.gz IPBVEWCWIKAUET-FQEVSTJZSA-N 0 0 377.419 3.597 10 0 GHAERN c1cc(-c2nnc3ccc(N4CCC(Cc5ccccn5)CC4)nn32)cs1 ZINC000186028252 883606255 /nfs/dbraw/zinc/60/62/55/883606255.db2.gz MRINNSYGBZRBBQ-UHFFFAOYSA-N 0 0 376.489 3.707 10 0 GHAERN CC(C)n1cc(Br)cc1C(=O)N1CCCN(c2ccccn2)CC1 ZINC000186410580 883643205 /nfs/dbraw/zinc/64/32/05/883643205.db2.gz COCMDMLKVRKGLJ-UHFFFAOYSA-N 0 0 391.313 3.579 10 0 GHAERN Cc1nc(CCC(=O)N2CCCN(c3ccccn3)CC2)oc1-c1ccccc1 ZINC000186435334 883644785 /nfs/dbraw/zinc/64/47/85/883644785.db2.gz XQVVTCSKPFXHCI-UHFFFAOYSA-N 0 0 390.487 3.717 10 0 GHAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186587194 883665857 /nfs/dbraw/zinc/66/58/57/883665857.db2.gz VHHLOPBUGFXBNF-UHFFFAOYSA-N 0 0 390.447 3.514 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)ccc2NC1=O ZINC000186626388 883677495 /nfs/dbraw/zinc/67/74/95/883677495.db2.gz ZEXDMGIIHIMTPO-GFCCVEGCSA-N 0 0 386.402 3.964 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2NC1=O ZINC000186665036 883684505 /nfs/dbraw/zinc/68/45/05/883684505.db2.gz LZHUCOAWSAYSTE-UHFFFAOYSA-N 0 0 394.353 3.884 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@@H](c3ccccc3)C(C)(C)CO)ccc2NC1=O ZINC000186677379 883686250 /nfs/dbraw/zinc/68/62/50/883686250.db2.gz KFMUUDHXCYKTOI-SFHVURJKSA-N 0 0 396.491 3.588 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCCOc4cc(F)ccc43)ccc2NC1=O ZINC000186680955 883686344 /nfs/dbraw/zinc/68/63/44/883686344.db2.gz CIVOXYZCWWXNHU-QGZVFWFLSA-N 0 0 384.411 3.838 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc(C)n3)CC2)cs1 ZINC000186729079 883697249 /nfs/dbraw/zinc/69/72/49/883697249.db2.gz KGADCRBSZIHWDG-SFHVURJKSA-N 0 0 385.537 3.670 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(OC4COC4)cc3)C2)cc1 ZINC000187207648 883766029 /nfs/dbraw/zinc/76/60/29/883766029.db2.gz ZDPHTJMDZAWAPJ-DOTOQJQBSA-N 0 0 382.460 3.883 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC(Nc2nccs2)CC1 ZINC000187819199 883808346 /nfs/dbraw/zinc/80/83/46/883808346.db2.gz DYKICWOXIZSZRC-MSOLQXFVSA-N 0 0 386.521 3.649 10 0 GHAERN Cc1coc2ccc(NC(=O)N3CCCN(Cc4noc(C5CC5)n4)CC3)cc12 ZINC000187923513 883812054 /nfs/dbraw/zinc/81/20/54/883812054.db2.gz WLUADDJQVSXEKK-UHFFFAOYSA-N 0 0 395.463 3.741 10 0 GHAERN O=C(c1cccs1)N1CCC(c2nc(COc3cccc(F)c3)no2)CC1 ZINC000188115703 883826708 /nfs/dbraw/zinc/82/67/08/883826708.db2.gz VIVQMFWYBJUJHB-UHFFFAOYSA-N 0 0 387.436 3.869 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000188317854 883835775 /nfs/dbraw/zinc/83/57/75/883835775.db2.gz AZKQNFQFKAIEKL-UHFFFAOYSA-N 0 0 399.926 3.688 10 0 GHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc(Br)ncc1Cl ZINC000188901465 883884437 /nfs/dbraw/zinc/88/44/37/883884437.db2.gz OIUYWHORCSMZHM-QWHCGFSZSA-N 0 0 383.677 3.608 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Nc3nccs3)CC2)cnc1Br ZINC000189331179 883937148 /nfs/dbraw/zinc/93/71/48/883937148.db2.gz MJZSOUUZDYIDGV-UHFFFAOYSA-N 0 0 396.314 3.717 10 0 GHAERN NC(=O)c1ccc(F)c(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000189570347 883963136 /nfs/dbraw/zinc/96/31/36/883963136.db2.gz PNZZMSTXFRELQA-GFCCVEGCSA-N 0 0 377.366 3.614 10 0 GHAERN O=C(c1ccc(N2CCCC2=O)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189803826 884011725 /nfs/dbraw/zinc/01/17/25/884011725.db2.gz XJGOTFIPMFBDPB-UHFFFAOYSA-N 0 0 376.456 3.522 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000190008147 884042472 /nfs/dbraw/zinc/04/24/72/884042472.db2.gz NCVFNIZLDDWDOW-HFBAOOFYSA-N 0 0 397.397 3.879 10 0 GHAERN CCN(CC)C(=O)c1ccc(CNC(=O)N[C@H]2CCOc3c(C)cccc32)cc1 ZINC000190012058 884042527 /nfs/dbraw/zinc/04/25/27/884042527.db2.gz KHCPBTJQILQMHW-FQEVSTJZSA-N 0 0 395.503 3.800 10 0 GHAERN CN(C(=O)c1ccccc1NC(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)C1CCCCC1 ZINC000190022364 884043722 /nfs/dbraw/zinc/04/37/22/884043722.db2.gz RXTKNBPEUSPSOV-AHRSYUTCSA-N 0 0 385.508 3.780 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000190025155 884044074 /nfs/dbraw/zinc/04/40/74/884044074.db2.gz BGGBBRCDAHLRJN-LPHOPBHVSA-N 0 0 378.432 3.724 10 0 GHAERN O=C(NCc1ccccc1OC(F)F)N1CCC(Nc2nccs2)CC1 ZINC000190111220 884046833 /nfs/dbraw/zinc/04/68/33/884046833.db2.gz SLDNTUJVSJMIQW-UHFFFAOYSA-N 0 0 382.436 3.531 10 0 GHAERN O=C(CCc1nc(-c2ccco2)no1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190264510 884061338 /nfs/dbraw/zinc/06/13/38/884061338.db2.gz SIONOUMILHCUEH-CYBMUJFWSA-N 0 0 387.386 3.947 10 0 GHAERN C[S@](=O)Cc1cccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000190291287 884065604 /nfs/dbraw/zinc/06/56/04/884065604.db2.gz BZQHIGOIUFVQTQ-DXPJPUQTSA-N 0 0 377.456 3.863 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000190361589 884070863 /nfs/dbraw/zinc/07/08/63/884070863.db2.gz WHAAIOYBJWFHRJ-BJLQDIEVSA-N 0 0 397.519 3.937 10 0 GHAERN O=C(CCc1ccccc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190393994 884074879 /nfs/dbraw/zinc/07/48/79/884074879.db2.gz WYUYTEYJQWQZNR-UHFFFAOYSA-N 0 0 394.338 3.941 10 0 GHAERN O=C(Cc1ccc(Br)s1)N1CCC(Nc2nccs2)CC1 ZINC000190401990 884076228 /nfs/dbraw/zinc/07/62/28/884076228.db2.gz RDDVKMQWCKTRQD-UHFFFAOYSA-N 0 0 386.340 3.613 10 0 GHAERN C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190402697 884076982 /nfs/dbraw/zinc/07/69/82/884076982.db2.gz DDVOKPKQSVXNRV-NSHDSACASA-N 0 0 383.876 3.806 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190417347 884078960 /nfs/dbraw/zinc/07/89/60/884078960.db2.gz VYJPUTLDIKJWAM-IBGZPJMESA-N 0 0 396.516 3.510 10 0 GHAERN Cn1c2ccccc2nc1[C@H](NC(=O)c1ccc2c(c1)NC(=O)C2)c1ccccc1 ZINC000191002970 884145452 /nfs/dbraw/zinc/14/54/52/884145452.db2.gz OXQYMLLKMYOOEM-JOCHJYFZSA-N 0 0 396.450 3.587 10 0 GHAERN O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191207445 884163863 /nfs/dbraw/zinc/16/38/63/884163863.db2.gz BOAKOJFMQCFMNZ-OAHLLOKOSA-N 0 0 395.409 3.531 10 0 GHAERN C[C@H](Oc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1)c1ccccc1 ZINC000191801156 884211573 /nfs/dbraw/zinc/21/15/73/884211573.db2.gz HVXUBXAONJABMC-KRWDZBQOSA-N 0 0 376.460 3.895 10 0 GHAERN COc1cccc(Cl)c1CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000191886909 884215997 /nfs/dbraw/zinc/21/59/97/884215997.db2.gz CBUUQSCZAAOPSW-UHFFFAOYSA-N 0 0 392.908 3.579 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC000192371385 884254368 /nfs/dbraw/zinc/25/43/68/884254368.db2.gz LRPBMMYCIVEVLI-GZBFAFLISA-N 0 0 378.498 3.698 10 0 GHAERN COc1c(C)ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1C ZINC000193039503 884322748 /nfs/dbraw/zinc/32/27/48/884322748.db2.gz AEKOYPNOYJXPFR-MRXNPFEDSA-N 0 0 379.464 3.766 10 0 GHAERN Cn1cnnc1[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000193062299 884324050 /nfs/dbraw/zinc/32/40/50/884324050.db2.gz PGCGEOWLGBJWOV-IYNGYCSASA-N 0 0 398.816 3.907 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1ccco1)Cc1ccco1 ZINC000193261621 884334643 /nfs/dbraw/zinc/33/46/43/884334643.db2.gz ACRYHCNTKTXICL-SFHVURJKSA-N 0 0 379.416 3.710 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152280437 884699871 /nfs/dbraw/zinc/69/98/71/884699871.db2.gz GLIKHMOKWGXRJX-FUHWJXTLSA-N 0 0 397.523 3.702 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(C)s1 ZINC000103305651 884935431 /nfs/dbraw/zinc/93/54/31/884935431.db2.gz GLHBNXFOFXFDEJ-CYBMUJFWSA-N 0 0 397.495 3.545 10 0 GHAERN CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000105986001 884940668 /nfs/dbraw/zinc/94/06/68/884940668.db2.gz BDYUKDWSFWXBCJ-LJQANCHMSA-N 0 0 394.450 3.955 10 0 GHAERN COC(=O)CC[C@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)c1ccccc1 ZINC000105988502 884942228 /nfs/dbraw/zinc/94/22/28/884942228.db2.gz DKKPSMZEFXDRRA-FQEVSTJZSA-N 0 0 385.508 3.509 10 0 GHAERN CN(C)c1noc([C@@H]2CCCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)C2)n1 ZINC000248818302 885053584 /nfs/dbraw/zinc/05/35/84/885053584.db2.gz AXAPRFZTMVMQPW-KLORUHCESA-N 0 0 386.540 3.838 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179893 885987073 /nfs/dbraw/zinc/98/70/73/885987073.db2.gz XPFFBZPLXMBKQI-JOCHJYFZSA-N 0 0 398.470 3.560 10 0 GHAERN CNC(=O)c1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1Cl ZINC000114810504 886326914 /nfs/dbraw/zinc/32/69/14/886326914.db2.gz ZMXUUBBNIHNDTH-LLVKDONJSA-N 0 0 378.885 3.568 10 0 GHAERN COc1cc(F)c([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000114832298 886330493 /nfs/dbraw/zinc/33/04/93/886330493.db2.gz JWUIEZCYQJBTCK-STQMWFEESA-N 0 0 393.484 3.950 10 0 GHAERN COCCCOc1ccccc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117002859 886377150 /nfs/dbraw/zinc/37/71/50/886377150.db2.gz CBOQELQJGJKOAR-UHFFFAOYSA-N 0 0 398.507 3.596 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 ZINC000117668408 886389839 /nfs/dbraw/zinc/38/98/39/886389839.db2.gz CSUIESRHZBJPQE-LIRRHRJNSA-N 0 0 387.501 3.903 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4ccnc4)c3)CCO2)o1 ZINC000120735594 886529576 /nfs/dbraw/zinc/52/95/76/886529576.db2.gz XKEMZCOLYCREAK-JXFKEZNVSA-N 0 0 380.448 3.618 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@H]1CC(C)(C)Oc3ccccc31)CCC2 ZINC000332862034 886553960 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Cc1ccc(N2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)nc1 ZINC000127405488 887060908 /nfs/dbraw/zinc/06/09/08/887060908.db2.gz FWCFUNQMGMMJJZ-UHFFFAOYSA-N 0 0 381.373 3.947 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1nc2ccccc2[nH]1 ZINC000127852544 887110971 /nfs/dbraw/zinc/11/09/71/887110971.db2.gz FWHJLVHHENOBJS-HXUWFJFHSA-N 0 0 394.523 3.658 10 0 GHAERN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(OCc4ccccc4)c3)[C@@H]2C1 ZINC000128022258 887136112 /nfs/dbraw/zinc/13/61/12/887136112.db2.gz CPOZOPVEHZSOJT-CEMLEFRQSA-N 0 0 381.472 3.674 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN[C@@H]3CCCC[C@H]3n3cccn3)s2)cc1 ZINC000128032110 887138354 /nfs/dbraw/zinc/13/83/54/887138354.db2.gz TYZDGJGWZSWCSX-IAGOWNOFSA-N 0 0 396.520 3.569 10 0 GHAERN Cc1cccc2c(CCNC(=O)C[C@@H]3Sc4ccccc4NC3=O)c[nH]c21 ZINC000128534215 887200717 /nfs/dbraw/zinc/20/07/17/887200717.db2.gz VIQFSHUJRXPCQO-SFHVURJKSA-N 0 0 379.485 3.638 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000129195283 887269117 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10 0 GHAERN CNC(=O)c1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1Cl ZINC000131951703 887593880 /nfs/dbraw/zinc/59/38/80/887593880.db2.gz LCUCSIZCNWBONV-UHFFFAOYSA-N 0 0 392.912 3.552 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000105152694 887720410 /nfs/dbraw/zinc/72/04/10/887720410.db2.gz BEVWBYPFMZJBJN-UHFFFAOYSA-N 0 0 376.504 3.991 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000133373837 887754515 /nfs/dbraw/zinc/75/45/15/887754515.db2.gz NASDLTQMMPKOOA-OAHLLOKOSA-N 0 0 393.443 3.628 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cnc(-c4ccc5c(c4)OCO5)s3)CCO2)o1 ZINC000133855130 887810548 /nfs/dbraw/zinc/81/05/48/887810548.db2.gz UCKFYEFWTUNUQZ-KRWDZBQOSA-N 0 0 398.440 3.654 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(CN3CCCC3=O)c2)C12CCCC2 ZINC000134049328 887830559 /nfs/dbraw/zinc/83/05/59/887830559.db2.gz UYLWYCGWRBTAFI-WOJBJXKFSA-N 0 0 384.520 3.619 10 0 GHAERN COc1ccc(CCCCCC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000134308527 887858775 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O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194046623 888549583 /nfs/dbraw/zinc/54/95/83/888549583.db2.gz ULRMJLMSKSYMEP-PZJWPPBQSA-N 0 0 390.487 3.603 10 0 GHAERN CC(C)(C)[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000194422556 888585276 /nfs/dbraw/zinc/58/52/76/888585276.db2.gz ZMSSAPUDIJPSJJ-GOSISDBHSA-N 0 0 385.487 3.671 10 0 GHAERN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC(OC2CCCC2)CC1 ZINC000195399659 888659906 /nfs/dbraw/zinc/65/99/06/888659906.db2.gz ZVUXIFCAXMZCPL-FMIVXFBMSA-N 0 0 382.504 3.777 10 0 GHAERN O=C(NC1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1)c1ccsc1 ZINC000064991571 888711767 /nfs/dbraw/zinc/71/17/67/888711767.db2.gz DOHSKPYDIBVTCY-UHFFFAOYSA-N 0 0 392.908 3.662 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000245386127 888744309 /nfs/dbraw/zinc/74/43/09/888744309.db2.gz KGEJWTXSPQFNTE-XKGZKEIXSA-N 0 0 382.485 3.526 10 0 GHAERN C[C@H](CNC(=O)N[C@H]1CCO[C@H]1c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000245625667 889088747 /nfs/dbraw/zinc/08/87/47/889088747.db2.gz QDQTUCFCGWSADY-MNEFBYGVSA-N 0 0 392.459 3.670 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000245920784 890017863 /nfs/dbraw/zinc/01/78/63/890017863.db2.gz HAULDCHQKRKYDN-HLRQEUIKSA-N 0 0 389.499 3.649 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCS[C@@H]4CCCC[C@H]43)o2)o1 ZINC000246100653 890369754 /nfs/dbraw/zinc/36/97/54/890369754.db2.gz IJQRHYSNHKDAST-ZYHUDNBSSA-N 0 0 384.299 3.952 10 0 GHAERN Cc1sc2nc([C@H](C)N3CCC[C@@H](c4nncn4C4CC4)C3)nc(N)c2c1C ZINC000246104649 890381780 /nfs/dbraw/zinc/38/17/80/890381780.db2.gz PAHPZRXIIBXGRI-GXTWGEPZSA-N 0 0 397.552 3.757 10 0 GHAERN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246203199 890686605 /nfs/dbraw/zinc/68/66/05/890686605.db2.gz UTNMIXBUGRIVBJ-PWIZWCRZSA-N 0 0 382.460 3.558 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N[C@@H]3[C@H]4CCc5ccccc5[C@@H]34)CC2)cs1 ZINC000246324997 891013963 /nfs/dbraw/zinc/01/39/63/891013963.db2.gz KSHORIBHSQWXCN-PWRODBHTSA-N 0 0 381.545 3.508 10 0 GHAERN CCCN1Cc2cccc(NC(=O)c3cccc(CN4CCCC4=O)c3)c2C1 ZINC000066514757 891122750 /nfs/dbraw/zinc/12/27/50/891122750.db2.gz MDTVGLIADMCOFO-UHFFFAOYSA-N 0 0 377.488 3.787 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000068230059 891172105 /nfs/dbraw/zinc/17/21/05/891172105.db2.gz HPMXPHRYWNCTIJ-HNNXBMFYSA-N 0 0 378.428 3.814 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)c1 ZINC000069293897 891197913 /nfs/dbraw/zinc/19/79/13/891197913.db2.gz AJDSPMZQAJTVFV-KRWDZBQOSA-N 0 0 398.854 3.636 10 0 GHAERN CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000069723354 891205087 /nfs/dbraw/zinc/20/50/87/891205087.db2.gz OJJWLQIEXFZOQV-WOJBJXKFSA-N 0 0 390.491 3.530 10 0 GHAERN Cc1ccc(C(=O)N[C@H](CC(=O)NCc2cscn2)c2ccccc2)cc1 ZINC000105581084 891266284 /nfs/dbraw/zinc/26/62/84/891266284.db2.gz NWOBMXFWFBQQJK-LJQANCHMSA-N 0 0 379.485 3.629 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1nccs1 ZINC000246472487 891270116 /nfs/dbraw/zinc/27/01/16/891270116.db2.gz GBKCEBZXXKEBDB-ZACQAIPSSA-N 0 0 387.505 3.583 10 0 GHAERN CC(C)NC(=O)CSc1ccccc1C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246728154 891301192 /nfs/dbraw/zinc/30/11/92/891301192.db2.gz OMAMCXMRMBMNCB-WOIUINJBSA-N 0 0 394.540 3.619 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246882826 891319215 /nfs/dbraw/zinc/31/92/15/891319215.db2.gz DPNBKRBCFYKOTQ-ZWKOPEQDSA-N 0 0 375.213 3.806 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246882807 891319286 /nfs/dbraw/zinc/31/92/86/891319286.db2.gz DPNBKRBCFYKOTQ-BIMULSAOSA-N 0 0 375.213 3.806 10 0 GHAERN Cc1c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)cnn1CCO[C@H]1CCCCO1 ZINC000248146602 891412908 /nfs/dbraw/zinc/41/29/08/891412908.db2.gz ZTXQKZHNCSUHOG-AGHHOFFYSA-N 0 0 397.519 3.753 10 0 GHAERN Cc1c(-c2cc(CN3C[C@@H](c4ccccc4Cl)OC[C@H]3C)on2)cnn1C ZINC000248644008 891450293 /nfs/dbraw/zinc/45/02/93/891450293.db2.gz ZZHCBLVXOVQRDL-XCLFUZPHSA-N 0 0 386.883 3.999 10 0 GHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000248637712 891450410 /nfs/dbraw/zinc/45/04/10/891450410.db2.gz LAYOXMZGRYRRNU-TYCQWZJGSA-N 0 0 390.499 3.721 10 0 GHAERN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1 ZINC000248841286 891475031 /nfs/dbraw/zinc/47/50/31/891475031.db2.gz QUIQVYAVMBYIDP-SVMVAKDDSA-N 0 0 388.508 3.500 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249171403 891499879 /nfs/dbraw/zinc/49/98/79/891499879.db2.gz LGJPBHFVPAUORE-QGTPRVQTSA-N 0 0 388.851 3.791 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000253554940 891880286 /nfs/dbraw/zinc/88/02/86/891880286.db2.gz WRAZLMIXQKGFNU-KBAYOESNSA-N 0 0 391.471 3.675 10 0 GHAERN O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000262175419 892238199 /nfs/dbraw/zinc/23/81/99/892238199.db2.gz PNCPEGIHTKNNFP-SCLBCKFNSA-N 0 0 391.265 3.791 10 0 GHAERN C[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000152209161 895019123 /nfs/dbraw/zinc/01/91/23/895019123.db2.gz VTNIOZWIZSEQNH-CHWSQXEVSA-N 0 0 379.917 3.563 10 0 GHAERN Cc1noc(CCNC(=O)Nc2cccc(COCCc3ccccc3)c2)n1 ZINC000105021203 898179948 /nfs/dbraw/zinc/17/99/48/898179948.db2.gz RVVKUXNXKCWESE-UHFFFAOYSA-N 0 0 380.448 3.502 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccoc2)CC1)N(Cc1ccco1)C1CCCC1 ZINC000105106462 898191040 /nfs/dbraw/zinc/19/10/40/898191040.db2.gz BTUVOWJZOKILMY-UHFFFAOYSA-N 0 0 385.464 3.632 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000105195200 898201585 /nfs/dbraw/zinc/20/15/85/898201585.db2.gz XEFNKTZSPHXPQB-QGZVFWFLSA-N 0 0 396.491 3.764 10 0 GHAERN O=C(N[C@H]1CCSc2c(F)cccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000111823615 898832970 /nfs/dbraw/zinc/83/29/70/898832970.db2.gz DTPCQFJNCZFEMV-UONOGXRCSA-N 0 0 379.482 3.602 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@H]3CCSc4ccc(Cl)cc43)C2)cn1 ZINC000116524889 899281086 /nfs/dbraw/zinc/28/10/86/899281086.db2.gz NMJXDCFAQFCRGT-WBMJQRKESA-N 0 0 376.913 3.810 10 0 GHAERN C[S@@](=O)c1ccc(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000333317077 902001833 /nfs/dbraw/zinc/00/18/33/902001833.db2.gz WGXSZQDEHDZJKQ-UZTOHYMASA-N 0 0 383.513 3.919 10 0 GHAERN Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000334015846 902503654 /nfs/dbraw/zinc/50/36/54/902503654.db2.gz YTOGDPSQLOYFBQ-BVGQSLNGSA-N 0 0 384.480 3.563 10 0 GHAERN CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000334070062 902538049 /nfs/dbraw/zinc/53/80/49/902538049.db2.gz GPHXKKUPCGSVHU-QUSNUVHPSA-N 0 0 392.462 3.723 10 0 GHAERN CCOCCOCCOC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000103644255 904397067 /nfs/dbraw/zinc/39/70/67/904397067.db2.gz PLAGPSOSQQRCKG-HZPDHXFCSA-N 0 0 375.490 3.942 10 0 GHAERN CCc1nc(C2(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)CCCC2)no1 ZINC000175156356 905464924 /nfs/dbraw/zinc/46/49/24/905464924.db2.gz NTJLFIFCBKRJJF-UHFFFAOYSA-N 0 0 384.411 3.554 10 0 GHAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179352800 906480414 /nfs/dbraw/zinc/48/04/14/906480414.db2.gz XJPCZKFLOPAHIU-SFHVURJKSA-N 0 0 398.898 3.557 10 0 GHAERN C[C@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccc(Br)cc1 ZINC000181384722 906987263 /nfs/dbraw/zinc/98/72/63/906987263.db2.gz BDGATQDRXZHYRQ-IUODEOHRSA-N 0 0 377.286 3.815 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183064475 907319176 /nfs/dbraw/zinc/31/91/76/907319176.db2.gz AYELTWBGEVYREV-CQSZACIVSA-N 0 0 382.390 3.649 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc2F)n1 ZINC000184326411 907561931 /nfs/dbraw/zinc/56/19/31/907561931.db2.gz KNQSPZSERQUPOU-KRWDZBQOSA-N 0 0 383.431 3.505 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000186351152 907911768 /nfs/dbraw/zinc/91/17/68/907911768.db2.gz FBTXRLSSEBNSNI-KRWDZBQOSA-N 0 0 396.426 3.677 10 0 GHAERN COc1cc(C(=O)N(C)C)ccc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000189080400 908280515 /nfs/dbraw/zinc/28/05/15/908280515.db2.gz JCOAYRVBNRBMAN-INIZCTEOSA-N 0 0 388.493 3.531 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccs3)CCCCC2)C1 ZINC000189088029 908281422 /nfs/dbraw/zinc/28/14/22/908281422.db2.gz QELQBHOJYWXFBW-LSDHHAIUSA-N 0 0 375.494 3.630 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000189140896 908287889 /nfs/dbraw/zinc/28/78/89/908287889.db2.gz CFLSBMJBBQCGNN-QFBILLFUSA-N 0 0 387.443 3.955 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000189418021 908318766 /nfs/dbraw/zinc/31/87/66/908318766.db2.gz GKRCFMQBGGDQIQ-DZGCQCFKSA-N 0 0 399.476 3.859 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2ccc(C)s2)C1 ZINC000189493699 908333562 /nfs/dbraw/zinc/33/35/62/908333562.db2.gz PSSLCKDJAOQGNA-DZGCQCFKSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2csc3ccccc23)C1 ZINC000190042432 908409985 /nfs/dbraw/zinc/40/99/85/908409985.db2.gz VIKHRJUKIOFQAV-RDJZCZTQSA-N 0 0 385.489 3.904 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000190049168 908413166 /nfs/dbraw/zinc/41/31/66/908413166.db2.gz RHTPKHVAHXGDQW-TZMCWYRMSA-N 0 0 375.812 3.688 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(COc3ccccc3)cc2)C1 ZINC000190066421 908417757 /nfs/dbraw/zinc/41/77/57/908417757.db2.gz YVLXCWWOUNXTBG-UXHICEINSA-N 0 0 393.443 3.559 10 0 GHAERN C[C@H]1CCN(C(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)CC12CCC2 ZINC000284548906 911921987 /nfs/dbraw/zinc/92/19/87/911921987.db2.gz ACNROAAUIATSGQ-NBHGPNQESA-N 0 0 381.520 3.562 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)N1CCC([C@@H]2CCCOC2)CC1 ZINC000371671889 924764297 /nfs/dbraw/zinc/76/42/97/924764297.db2.gz RGXSUXVIYFQAMR-GOSISDBHSA-N 0 0 396.487 3.835 10 0 GHAERN CS(=O)(=O)Cc1ccc(C(=O)N2CCC3(CC2)C2CC4CC(C2)CC3C4)o1 ZINC000372750291 925680046 /nfs/dbraw/zinc/68/00/46/925680046.db2.gz JYDNHFQRJRKTLC-UHFFFAOYSA-N 0 0 391.533 3.503 10 0 GHAERN Cc1ccc2oc(C(=O)Nc3nnc(NCc4ccccc4)s3)cc(=O)c2c1 ZINC000011689972 209878821 /nfs/dbraw/zinc/87/88/21/209878821.db2.gz YDCXIMCULJSFCE-UHFFFAOYSA-N 0 0 392.440 3.817 10 0 GHAERN CCC1(COP(OCC2(CC)COC2)OCC2(CC)COC2)COC1 ZINC000001692463 209336519 /nfs/dbraw/zinc/33/65/19/209336519.db2.gz GILSVABNEXQUBY-UHFFFAOYSA-N 0 0 376.430 3.543 10 0 GHAERN CCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(O)c3)N2C1=O ZINC000001661610 209335364 /nfs/dbraw/zinc/33/53/64/209335364.db2.gz IDGCPAFIELNTPI-PZJWPPBQSA-N 0 0 389.455 3.952 10 0 GHAERN O=C(/C=C/c1c2ccccn2nc1-c1ccccc1)N1CCCC[C@@H]1CCO ZINC000001486608 209330675 /nfs/dbraw/zinc/33/06/75/209330675.db2.gz OPLOPFHUHFGKMJ-JXOMPUQVSA-N 0 0 375.472 3.778 10 0 in-man GHAERN C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001466591 209329911 /nfs/dbraw/zinc/32/99/11/209329911.db2.gz YBDAJJHEMXCMCU-VIFPVBQESA-N 0 0 396.752 3.982 10 0 GHAERN CC(C)[C@@H](CO)Nc1nc2c(ncn2C(C)C)c(Sc2cccc(N)c2)n1 ZINC000098087654 209243760 /nfs/dbraw/zinc/24/37/60/209243760.db2.gz NLQYQPZBKDUXKS-OAHLLOKOSA-N 0 0 386.525 3.569 10 0 GHAERN Nc1nc2c(ncn2C2CCCC2)c(OCc2cc(Br)cs2)n1 ZINC000090601942 209237670 /nfs/dbraw/zinc/23/76/70/209237670.db2.gz ICPRDIBZPUOZDL-UHFFFAOYSA-N 0 0 394.298 3.927 10 0 GHAERN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccc2c(c1)OCO2 ZINC000007345164 212072957 /nfs/dbraw/zinc/07/29/57/212072957.db2.gz LPLFPCZBUZERGS-UHFFFAOYSA-N 0 0 383.473 3.987 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1)C1CCC1 ZINC000096277850 211329410 /nfs/dbraw/zinc/32/94/10/211329410.db2.gz OINJMRCBELPPHM-KRWDZBQOSA-N 0 0 391.427 3.665 10 0 GHAERN Cc1oc(C2CCN(C(=O)c3ccccc3)CC2)nc1C(=O)N1CCCCC1 ZINC000096396948 211339080 /nfs/dbraw/zinc/33/90/80/211339080.db2.gz BLFASIMTIVSKFY-UHFFFAOYSA-N 0 0 381.476 3.629 10 0 GHAERN Fc1cnc(N2Cc3cc(Oc4cccnc4)ccc3[C@@H]2c2cnco2)nc1 ZINC000096087066 211301291 /nfs/dbraw/zinc/30/12/91/211301291.db2.gz MIBFTNJDOKTJPQ-LJQANCHMSA-N 0 0 375.363 3.901 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H](C[S@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084283 211218824 /nfs/dbraw/zinc/21/88/24/211218824.db2.gz QEITVLLVUUXOTD-GWQKEKGPSA-N 0 0 395.912 3.648 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H](COc2nc3ccccc3nc2NC2CC2)C1 ZINC000095084070 211218501 /nfs/dbraw/zinc/21/85/01/211218501.db2.gz HCNXWVZRXGAVAC-AWEZNQCLSA-N 0 0 384.480 3.840 10 0 GHAERN O=C1CN(S(=O)(=O)C2=Cc3ccccc3CC2)c2cccc3cccc(c32)N1 ZINC000089857930 211186055 /nfs/dbraw/zinc/18/60/55/211186055.db2.gz LRDPZEDLCFHQBN-UHFFFAOYSA-N 0 0 390.464 3.915 10 0 GHAERN Cc1ccc(S(=O)(=O)n2ccc3c2ncc(Cl)c3Br)cc1 ZINC000079033997 211152715 /nfs/dbraw/zinc/15/27/15/211152715.db2.gz UOUXYCQYVQVYCQ-UHFFFAOYSA-N 0 0 385.670 3.998 10 0 GHAERN Cc1cc(-c2c(-c3ccccc3)ncn2CCc2nn[nH]n2)c(C)n1C(C)C ZINC000067769743 211021902 /nfs/dbraw/zinc/02/19/02/211021902.db2.gz MYFPKDGUZSZKKF-UHFFFAOYSA-N 0 0 375.480 3.972 10 0 GHAERN CC[C@H](c1nc2ccccc2c(=O)n1CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000044928635 210819972 /nfs/dbraw/zinc/81/99/72/210819972.db2.gz BAVMRFBONRPKFT-LJQANCHMSA-N 0 0 389.455 3.800 10 0 GHAERN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCN(c2cccc(F)c2)C1=O ZINC000037575376 210742952 /nfs/dbraw/zinc/74/29/52/210742952.db2.gz GYJLXUMCHHQJRF-MRXNPFEDSA-N 0 0 380.341 3.514 10 0 GHAERN CCCn1nc(-c2ccccc2OC)cc1C(=O)NCCOc1ccccc1 ZINC000034902777 210670485 /nfs/dbraw/zinc/67/04/85/210670485.db2.gz SPXINKJRXPJUOZ-UHFFFAOYSA-N 0 0 379.460 3.778 10 0 GHAERN C/C=C\COC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000033936583 210656016 /nfs/dbraw/zinc/65/60/16/210656016.db2.gz UEZMJPVWNRMXLC-GEXIGZQTSA-N 0 0 383.444 3.986 10 0 GHAERN Cc1ccc(/C=C/C(=O)N2CCC(CNC(=O)/C=C\c3ccc(C)o3)CC2)o1 ZINC000033332713 210646130 /nfs/dbraw/zinc/64/61/30/210646130.db2.gz VJHIILOYKSELMY-FKJILZIQSA-N 0 0 382.460 3.571 10 0 GHAERN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@H](C(=O)OC)c1ccccc1 ZINC000503990667 533370183 /nfs/dbraw/zinc/37/01/83/533370183.db2.gz OMTBLFCKFVDJFM-HBMCJLEFSA-N 0 0 381.472 3.712 10 0 GHAERN CSc1ccccc1N1C(=O)CN(Cc2c(C)nc3sccn23)C[C@H]1C ZINC000055109397 132443789 /nfs/dbraw/zinc/44/37/89/132443789.db2.gz WMYFSLBJWQSIHA-CYBMUJFWSA-N 0 0 386.546 3.663 10 0 GHAERN Cc1noc2nc(CCC(=O)Nc3cccc(F)c3)nc(N3CCCCC3)c12 ZINC000065056297 136158951 /nfs/dbraw/zinc/15/89/51/136158951.db2.gz QCRCEOGFGIQVMQ-UHFFFAOYSA-N 0 0 383.427 3.627 10 0 GHAERN CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227879 136160530 /nfs/dbraw/zinc/16/05/30/136160530.db2.gz XNUCWVACGYIADM-GDBMZVCRSA-N 0 0 383.496 3.530 10 0 GHAERN Cc1cc2c(nc(-c3cccnc3)nc2N2CCN(c3ccccn3)CC2)s1 ZINC000072260905 136167763 /nfs/dbraw/zinc/16/77/63/136167763.db2.gz VINCJGZADCKOQX-UHFFFAOYSA-N 0 0 388.500 3.783 10 0 GHAERN CC(C)c1cc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)OCC(=O)N3C)no1 ZINC000095528176 535370265 /nfs/dbraw/zinc/37/02/65/535370265.db2.gz SCJXUWNQBDUOME-OAHLLOKOSA-N 0 0 384.436 3.522 10 0 GHAERN CCN1CC2(CCN(c3ncnc4[nH]ccc43)CC2)C[C@H](c2ccccc2)C1=O ZINC000096165197 535443340 /nfs/dbraw/zinc/44/33/40/535443340.db2.gz GXHZVDSCJLYRJY-LJQANCHMSA-N 0 0 389.503 3.581 10 0 GHAERN COc1ccc(NC(=O)/C=C/c2c3c(ccc2Br)OCO3)cc1 ZINC000048545702 570251157 /nfs/dbraw/zinc/25/11/57/570251157.db2.gz RJTKSBVLJQMVHK-RMKNXTFCSA-N 0 0 376.206 3.838 10 0 GHAERN Cc1c(C(=O)NC(C)(C)C)n(Cc2ccc(F)cc2)c(C)c1N1CCOCC1 ZINC000035472923 570365561 /nfs/dbraw/zinc/36/55/61/570365561.db2.gz BYZAMKHEWPLGBA-UHFFFAOYSA-N 0 0 387.499 3.657 10 0 GHAERN CCOC(=O)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ZINC000002034187 570376586 /nfs/dbraw/zinc/37/65/86/570376586.db2.gz HKGLNEXDSSLWOA-UHFFFAOYSA-N 0 0 387.865 3.702 10 0 GHAERN O=C(NC1CCCCC1)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920778 570547723 /nfs/dbraw/zinc/54/77/23/570547723.db2.gz DPIQXKOZWOHLPJ-IBGZPJMESA-N 0 0 388.483 3.776 10 0 GHAERN O=C(OCc1ccccc1)[C@H](CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000035315339 570551581 /nfs/dbraw/zinc/55/15/81/570551581.db2.gz IZGCKWHDNJEEAX-QHCPKHFHSA-N 0 0 375.468 3.793 10 0 in-vitro GHAERN Cc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000006818504 570620402 /nfs/dbraw/zinc/62/04/02/570620402.db2.gz UAEVSNBAZGSUCX-SFHVURJKSA-N 0 0 386.498 3.715 10 0 GHAERN Clc1ccc(OCc2nc(CN3CCC(n4cncn4)CC3)cs2)cc1 ZINC000156586077 834442890 /nfs/dbraw/zinc/44/28/90/834442890.db2.gz SHCCYGUDLGAZHD-UHFFFAOYSA-N 0 0 389.912 3.804 10 0 GHAERN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3nc(C)cs3)CC2)c(OC)c1 ZINC000156677492 834498680 /nfs/dbraw/zinc/49/86/80/834498680.db2.gz JAOXRXXVFLADSL-CQSZACIVSA-N 0 0 389.521 3.675 10 0 GHAERN O=C(c1ncn(-c2ccccc2)n1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000156840427 834596436 /nfs/dbraw/zinc/59/64/36/834596436.db2.gz ADLPYUMKKORLHH-GOSISDBHSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066984316 834732038 /nfs/dbraw/zinc/73/20/38/834732038.db2.gz SJHSQRIZIRMYBU-HZPDHXFCSA-N 0 0 389.462 3.542 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 ZINC000157256561 834823496 /nfs/dbraw/zinc/82/34/96/834823496.db2.gz HODOGKROXJIRLN-UHFFFAOYSA-N 0 0 382.386 3.647 10 0 GHAERN CCCOc1nc2ccccc2cc1/C=C\C(=O)NCc1nnc(C2CC2)o1 ZINC000588613422 834895329 /nfs/dbraw/zinc/89/53/29/834895329.db2.gz UHKSFAKMMYIENV-KTKRTIGZSA-N 0 0 378.432 3.614 10 0 GHAERN O=C(c1cc(F)cc2cccnc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000157491083 834946603 /nfs/dbraw/zinc/94/66/03/834946603.db2.gz LLSATFPOKBZAEL-UHFFFAOYSA-N 0 0 383.467 3.629 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccccc1Br ZINC000049080517 834980324 /nfs/dbraw/zinc/98/03/24/834980324.db2.gz ZIBVPHUCWKQFCG-WFASDCNBSA-N 0 0 391.265 3.524 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000111825468 834998465 /nfs/dbraw/zinc/99/84/65/834998465.db2.gz PVIDGOHPKXKECI-GOEBONIOSA-N 0 0 375.494 3.841 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCCOc3ccc(F)cc3F)CC2)nc1 ZINC000157751071 835074092 /nfs/dbraw/zinc/07/40/92/835074092.db2.gz QVTWMRSJISTWLF-UHFFFAOYSA-N 0 0 389.446 3.612 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)NC3CCN(c4ccc(C)cn4)CC3)cs2)o1 ZINC000157935494 835157245 /nfs/dbraw/zinc/15/72/45/835157245.db2.gz LUIGOPOFBRDVDM-UHFFFAOYSA-N 0 0 396.516 3.743 10 0 GHAERN Cc1csc(C2CCN(C(=O)CCN3C(=O)CCc4ccccc43)CC2)n1 ZINC000158292542 835307663 /nfs/dbraw/zinc/30/76/63/835307663.db2.gz KURKIIVTRZHJEE-UHFFFAOYSA-N 0 0 383.517 3.527 10 0 GHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408452265 844039663 /nfs/dbraw/zinc/03/96/63/844039663.db2.gz MFSDDZLHWKQZBH-DJJJIMSYSA-N 0 0 383.879 3.504 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)cc1 ZINC000329677015 835654452 /nfs/dbraw/zinc/65/44/52/835654452.db2.gz PVKDBACYPNNOKA-JYLXEMOASA-N 0 0 383.492 3.939 10 0 GHAERN CCCc1cnc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)s1 ZINC000187723114 835657756 /nfs/dbraw/zinc/65/77/56/835657756.db2.gz HTXHXFUGXHRCHE-UHFFFAOYSA-N 0 0 388.541 3.672 10 0 GHAERN Fc1ccc(C2(c3nc([C@@H]4CN5CCC[C@@H]5CO4)no3)CCCC2)c(F)c1 ZINC000329748451 835861105 /nfs/dbraw/zinc/86/11/05/835861105.db2.gz ZZGYEJHAUADZAU-PBHICJAKSA-N 0 0 375.419 3.744 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@H]1CCSc2c(F)cccc21 ZINC000246215432 836035404 /nfs/dbraw/zinc/03/54/04/836035404.db2.gz CNUNHLJZWFCLLV-MRAWALMUSA-N 0 0 382.526 3.717 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@@H](C)c4ccccc43)C2)nn1 ZINC000332712890 836487161 /nfs/dbraw/zinc/48/71/61/836487161.db2.gz OBQXMSBESCWDMM-SYNHAJSKSA-N 0 0 379.508 3.692 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000332895398 836936388 /nfs/dbraw/zinc/93/63/88/836936388.db2.gz ZJOCXQTUTFCSSO-WLRLJWMZSA-N 0 0 376.504 3.808 10 0 GHAERN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@H]1C(=O)Nc1nccs1 ZINC000102985959 837253143 /nfs/dbraw/zinc/25/31/43/837253143.db2.gz JIJFOMQRGGWWLA-KGLIPLIRSA-N 0 0 397.422 3.809 10 0 GHAERN COCCCOc1cccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000177137169 837930982 /nfs/dbraw/zinc/93/09/82/837930982.db2.gz IWOJAXZCTNWSRC-UHFFFAOYSA-N 0 0 398.507 3.596 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000179785670 838442259 /nfs/dbraw/zinc/44/22/59/838442259.db2.gz HCFMQNGVSGELRY-RBUKOAKNSA-N 0 0 377.444 3.914 10 0 GHAERN Cc1cc(-c2noc(CN[C@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1F ZINC000179975876 838482918 /nfs/dbraw/zinc/48/29/18/838482918.db2.gz OGYOYSALMIVXOZ-CYBMUJFWSA-N 0 0 380.423 3.920 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181736748 838626487 /nfs/dbraw/zinc/62/64/87/838626487.db2.gz DJGPFDCGKDOBBJ-IRXDYDNUSA-N 0 0 385.512 3.945 10 0 GHAERN Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000408028418 838693702 /nfs/dbraw/zinc/69/37/02/838693702.db2.gz RWJZQPAVKZJACR-KRWDZBQOSA-N 0 0 393.940 3.787 10 0 GHAERN CC1CCN(C(=O)c2ccc(N3CCC[C@@H]3[C@@H]3CCCC[C@]3(C)O)nc2)CC1 ZINC000408033697 838978516 /nfs/dbraw/zinc/97/85/16/838978516.db2.gz APTVDDRQVLNWQW-MZKRTTBSSA-N 0 0 385.552 3.864 10 0 GHAERN O=C(N1CCC(Nc2cccnn2)CC1)C1(c2cccc(F)c2)CCCCC1 ZINC000114861888 839038758 /nfs/dbraw/zinc/03/87/58/839038758.db2.gz NOGHHJCTQYDBSQ-UHFFFAOYSA-N 0 0 382.483 3.921 10 0 GHAERN O=C(NC1CCCCC1)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000408112601 840950274 /nfs/dbraw/zinc/95/02/74/840950274.db2.gz MIJAHVORUPRQEK-JKSUJKDBSA-N 0 0 389.462 3.542 10 0 GHAERN c1ncn([C@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)n1 ZINC000301269842 841157944 /nfs/dbraw/zinc/15/79/44/841157944.db2.gz QMYMOGWDHHRNRR-AWEZNQCLSA-N 0 0 380.521 3.881 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCC(=O)N2CCCc3ccccc32)cc1 ZINC000332912141 844624909 /nfs/dbraw/zinc/62/49/09/844624909.db2.gz ZVBYAEVIPBLRFM-NFBKMPQASA-N 0 0 392.499 3.558 10 0 GHAERN Cc1nc([C@@H](C)NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cs1 ZINC000332914645 844626292 /nfs/dbraw/zinc/62/62/92/844626292.db2.gz QJGPMENJPHLIDY-KCJUWKMLSA-N 0 0 384.427 3.551 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000190114664 841293840 /nfs/dbraw/zinc/29/38/40/841293840.db2.gz AXJMOCWEOJKOLQ-LPHOPBHVSA-N 0 0 399.495 3.752 10 0 GHAERN Cc1nc([C@@H]2CN(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CCO2)no1 ZINC000408155859 841302813 /nfs/dbraw/zinc/30/28/13/841302813.db2.gz XBFODQQYSPYGLL-SFHVURJKSA-N 0 0 383.492 3.941 10 0 GHAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247172411 841574097 /nfs/dbraw/zinc/57/40/97/841574097.db2.gz YRBJHDLWDYJZNH-SIXWZSSISA-N 0 0 395.341 3.717 10 0 GHAERN Cc1nc2n(n1)CCC[C@H]2NC(=O)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000408277039 842010382 /nfs/dbraw/zinc/01/03/82/842010382.db2.gz MXRPVEBEOHQCOM-GOSISDBHSA-N 0 0 387.434 3.589 10 0 GHAERN Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1-c1nnnn1C1CC1 ZINC000588426008 842054974 /nfs/dbraw/zinc/05/49/74/842054974.db2.gz USOVTYSPCITVPB-KHPPLWFESA-N 0 0 399.451 3.535 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCN(C(=O)c3ccsc3)CC2)c2ccccc2O1 ZINC000408289186 842093514 /nfs/dbraw/zinc/09/35/14/842093514.db2.gz BSSVTYUIVPTHOS-QGZVFWFLSA-N 0 0 399.516 3.518 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCn1ccc2cc(Cl)ccc21 ZINC000588433717 842426191 /nfs/dbraw/zinc/42/61/91/842426191.db2.gz DHFHXMUVYOJUBE-PLNGDYQASA-N 0 0 391.899 3.882 10 0 GHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000328847236 842576119 /nfs/dbraw/zinc/57/61/19/842576119.db2.gz YAVCKBUYHRBNCF-RTBURBONSA-N 0 0 380.444 3.804 10 0 GHAERN COc1ccc(CCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Br ZINC000127788855 842696020 /nfs/dbraw/zinc/69/60/20/842696020.db2.gz DBASZYQQCLZVOQ-BEFAXECRSA-N 0 0 396.325 3.544 10 0 GHAERN Cc1nn(-c2ccc(Br)cc2)c(NC(=O)/C=C\c2ccncn2)c1C ZINC000588439059 842735165 /nfs/dbraw/zinc/73/51/65/842735165.db2.gz DNDGNZXSZBXROY-YVMONPNESA-N 0 0 398.264 3.694 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1F ZINC000588440166 842743530 /nfs/dbraw/zinc/74/35/30/842743530.db2.gz FFTZMCOSUYUHQN-WTQUMQLASA-N 0 0 388.483 3.535 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)no1 ZINC000329373053 861340975 /nfs/dbraw/zinc/34/09/75/861340975.db2.gz KMZNEPZUQPFSDX-JSGCOSHPSA-N 0 0 392.868 3.848 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000184585397 842853409 /nfs/dbraw/zinc/85/34/09/842853409.db2.gz KPYGDSCMUAFHHH-UGSOOPFHSA-N 0 0 397.313 3.925 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1F ZINC000588446591 842868579 /nfs/dbraw/zinc/86/85/79/842868579.db2.gz CWCAZZJLGKQTNM-WVUXNXBLSA-N 0 0 389.858 3.681 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000162826449 842871756 /nfs/dbraw/zinc/87/17/56/842871756.db2.gz RAVIHGPVYRMBHA-OXJNMPFZSA-N 0 0 377.488 3.689 10 0 GHAERN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CC=C(c2ccccc2F)CC1 ZINC000162836792 842879756 /nfs/dbraw/zinc/87/97/56/842879756.db2.gz LRXGEGPQGHBGOM-CQSZACIVSA-N 0 0 385.405 3.509 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1=O ZINC000328954814 843132134 /nfs/dbraw/zinc/13/21/34/843132134.db2.gz NAPSWPASRCFCIT-SQGPQFPESA-N 0 0 394.519 3.650 10 0 GHAERN COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3Cn3ccnc3)c2c1 ZINC000161867276 843165646 /nfs/dbraw/zinc/16/56/46/843165646.db2.gz CHFWECAMNAAZOT-INIZCTEOSA-N 0 0 376.460 3.622 10 0 GHAERN CC[C@@H](CSc1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000162262524 843218340 /nfs/dbraw/zinc/21/83/40/843218340.db2.gz ILSPIDTYGGZPRU-SFHVURJKSA-N 0 0 397.544 3.621 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000162504485 843267118 /nfs/dbraw/zinc/26/71/18/843267118.db2.gz ZBQYEFDECJBWKD-UHFFFAOYSA-N 0 0 396.466 3.628 10 0 GHAERN Cc1[nH]c2ccc(C(=O)N3CCCN(C(=O)c4cccs4)CC3)cc2c1C ZINC000112307050 843352430 /nfs/dbraw/zinc/35/24/30/843352430.db2.gz LONZJYBTDKRDFR-UHFFFAOYSA-N 0 0 381.501 3.835 10 0 GHAERN C[C@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000112430640 843355483 /nfs/dbraw/zinc/35/54/83/843355483.db2.gz PILJJQGGKKMOSQ-ZDUSSCGKSA-N 0 0 393.459 3.645 10 0 GHAERN Cc1ccc(N(C)C2CCN(c3nc(C)nc4sc5c(c43)CCC5)CC2)nn1 ZINC000329438672 861424978 /nfs/dbraw/zinc/42/49/78/861424978.db2.gz MLEUQLMCWYLZPC-UHFFFAOYSA-N 0 0 394.548 3.692 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)NC(c2ccccc2C)c2ccccc2C)c1 ZINC000588457392 843532007 /nfs/dbraw/zinc/53/20/07/843532007.db2.gz HZNTUKAXRHTTDM-SEYXRHQNSA-N 0 0 399.494 3.977 10 0 GHAERN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]2CCC[C@H]21 ZINC000330297324 843563890 /nfs/dbraw/zinc/56/38/90/843563890.db2.gz GULOIIGWYANLPX-IFXJQAMLSA-N 0 0 388.464 3.641 10 0 GHAERN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@H]2CCC[C@@H]21 ZINC000330297325 843564301 /nfs/dbraw/zinc/56/43/01/843564301.db2.gz GULOIIGWYANLPX-KUHUBIRLSA-N 0 0 388.464 3.641 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408265887 843671070 /nfs/dbraw/zinc/67/10/70/843671070.db2.gz VEARXCMCLBAEPD-IJEWVQPXSA-N 0 0 389.462 3.588 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@H]4CCC[C@H]43)cc2)cc1 ZINC000330336546 843727136 /nfs/dbraw/zinc/72/71/36/843727136.db2.gz ZNTOZOVWABZHFD-OXQOHEQNSA-N 0 0 384.501 3.810 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)ccc1Cl ZINC000124893392 843745328 /nfs/dbraw/zinc/74/53/28/843745328.db2.gz SVOOWSGOYBZLSP-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN Cc1nc2cc(Cl)c(NC(=O)N3CCC(c4nncn4C)CC3)cc2s1 ZINC000408405322 843900701 /nfs/dbraw/zinc/90/07/01/843900701.db2.gz QLPSORBFXVXCNM-UHFFFAOYSA-N 0 0 390.900 3.798 10 0 GHAERN C[C@@H]1CCc2sc(C(=O)N[C@H]3CCS(=O)(=O)c4ccccc43)cc2C1 ZINC000026152820 845476202 /nfs/dbraw/zinc/47/62/02/845476202.db2.gz CNYBLZFUOZJECS-DOMZBBRYSA-N 0 0 375.515 3.521 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000248988874 845486874 /nfs/dbraw/zinc/48/68/74/845486874.db2.gz WHBQHUBMBYFITO-XFWGSAIBSA-N 0 0 377.444 3.623 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000151776438 845705250 /nfs/dbraw/zinc/70/52/50/845705250.db2.gz CVVVCKJJNYPCFD-CRAIPNDOSA-N 0 0 393.487 3.997 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329558287 861653665 /nfs/dbraw/zinc/65/36/65/861653665.db2.gz CFBQUKCYDIQYMT-CVEARBPZSA-N 0 0 377.554 3.585 10 0 GHAERN COc1cccc(CNC(=O)/C(=C\c2ccc(O)c(OC)c2)c2ccccc2)n1 ZINC000588500300 846299633 /nfs/dbraw/zinc/29/96/33/846299633.db2.gz JLCSTHPYZKTZMB-UYRXBGFRSA-N 0 0 390.439 3.661 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000152206943 846390385 /nfs/dbraw/zinc/39/03/85/846390385.db2.gz XBGLJOUSYMROKP-MRXNPFEDSA-N 0 0 377.535 3.562 10 0 GHAERN O=C(Nc1cccc(N2CCCCCC2)c1)NC1CCN(c2ncccn2)CC1 ZINC000152236270 846474186 /nfs/dbraw/zinc/47/41/86/846474186.db2.gz NJILTUNTECGASS-UHFFFAOYSA-N 0 0 394.523 3.648 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000152337533 846715831 /nfs/dbraw/zinc/71/58/31/846715831.db2.gz DUBBVMUSYVGYRO-QAPCUYQASA-N 0 0 381.476 3.855 10 0 GHAERN CC(C)c1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)n(-c2ncccn2)n1 ZINC000333558554 846926201 /nfs/dbraw/zinc/92/62/01/846926201.db2.gz VXFMMIWAOPISBW-JXSLOMFPSA-N 0 0 380.496 3.686 10 0 GHAERN CCCc1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000152491584 847193767 /nfs/dbraw/zinc/19/37/67/847193767.db2.gz TVJDJNXXAPCSDG-YVEFUNNKSA-N 0 0 380.286 3.747 10 0 GHAERN O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000152493650 847196002 /nfs/dbraw/zinc/19/60/02/847196002.db2.gz PSGKPPRTRWEBQT-QGZVFWFLSA-N 0 0 394.500 3.765 10 0 GHAERN Clc1ccc([C@@H]2OCC[C@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333630763 847584551 /nfs/dbraw/zinc/58/45/51/847584551.db2.gz GNNYJRQXSIAOMH-HZMVEIRTSA-N 0 0 375.856 3.504 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC[C@@H](C(F)(F)F)NC3=O)C2)sc1C ZINC000329635215 861854492 /nfs/dbraw/zinc/85/44/92/861854492.db2.gz XNTQKRMVQHBNRM-AGIUHOORSA-N 0 0 389.443 3.763 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000117027104 848076333 /nfs/dbraw/zinc/07/63/33/848076333.db2.gz GHONURGYZIHDTR-APWZRJJASA-N 0 0 395.551 3.957 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)cc(C)c1F ZINC000135825873 848644083 /nfs/dbraw/zinc/64/40/83/848644083.db2.gz XVJJNJPOHDCXDW-UHFFFAOYSA-N 0 0 375.488 3.679 10 0 GHAERN COC(=O)/C(=C/c1ccc(-c2ccccc2OC)cc1)CN1CCC(=O)CC1 ZINC000588566213 848902027 /nfs/dbraw/zinc/90/20/27/848902027.db2.gz OVIYKJAPCDLAHQ-XDJHFCHBSA-N 0 0 379.456 3.584 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000153727344 848957692 /nfs/dbraw/zinc/95/76/92/848957692.db2.gz ILBZWRGMZVSZGD-CTNGQTDRSA-N 0 0 396.535 3.552 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CCO2)o1 ZINC000153806021 849035047 /nfs/dbraw/zinc/03/50/47/849035047.db2.gz WHKWXZSVZXFUAQ-FQEVSTJZSA-N 0 0 397.475 3.738 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000153822581 849039370 /nfs/dbraw/zinc/03/93/70/849039370.db2.gz YGUGXHGCJSDECL-UHFFFAOYSA-N 0 0 379.441 3.658 10 0 GHAERN CCn1c([C@H]2COCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000329672136 862003715 /nfs/dbraw/zinc/00/37/15/862003715.db2.gz SJAZZYCUKXMTAM-MEDUHNTESA-N 0 0 397.306 3.816 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155943341 849711399 /nfs/dbraw/zinc/71/13/99/849711399.db2.gz WSBUEEWATXYPSJ-GDBMZVCRSA-N 0 0 393.553 3.527 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2ccnc(N3CCCC3)c2)cc1C ZINC000101606346 851725577 /nfs/dbraw/zinc/72/55/77/851725577.db2.gz NOLVJXDOFUBJMR-UHFFFAOYSA-N 0 0 382.508 3.649 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2cnn(Cc3ccccc3)c2)cc1C ZINC000101608067 851727821 /nfs/dbraw/zinc/72/78/21/851727821.db2.gz JMJWSHCLWGNIQF-UHFFFAOYSA-N 0 0 392.503 3.898 10 0 GHAERN Brc1ccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333867540 851792282 /nfs/dbraw/zinc/79/22/82/851792282.db2.gz TWECFWYBYHINMF-QXSJWSMHSA-N 0 0 390.281 3.639 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccccc2Br)CC1 ZINC000101734964 851858494 /nfs/dbraw/zinc/85/84/94/851858494.db2.gz LKIAVKVLYLAUGA-CYBMUJFWSA-N 0 0 396.329 3.854 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1C ZINC000101748834 851866470 /nfs/dbraw/zinc/86/64/70/851866470.db2.gz DVLRWRVHNRXVPL-UHFFFAOYSA-N 0 0 383.370 3.683 10 0 GHAERN CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000101976910 852062752 /nfs/dbraw/zinc/06/27/52/852062752.db2.gz IDVIBTZUAPXENK-DYESRHJHSA-N 0 0 383.492 3.707 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C)no1 ZINC000329862956 862380770 /nfs/dbraw/zinc/38/07/70/862380770.db2.gz YUVOVEYXNVXQJZ-SMDDNHRTSA-N 0 0 384.509 3.701 10 0 GHAERN CCOC(=O)C(C)(C)n1cc(NC(=O)N2CC=C(c3ccccc3)CC2)cn1 ZINC000164462293 853086687 /nfs/dbraw/zinc/08/66/87/853086687.db2.gz YAQZWBLZJPQLTL-UHFFFAOYSA-N 0 0 382.464 3.503 10 0 GHAERN CC1CCC(N2C[C@H](C(=O)N[C@@H]3CCO[C@H](c4cccs4)C3)CC2=O)CC1 ZINC000333953494 853266613 /nfs/dbraw/zinc/26/66/13/853266613.db2.gz DJIUGQRCZPVWJX-TVLITYMTSA-N 0 0 390.549 3.512 10 0 GHAERN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000334015641 853322229 /nfs/dbraw/zinc/32/22/29/853322229.db2.gz YPEVETSAHYTFLM-BQFCYCMXSA-N 0 0 380.419 3.867 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N1CCSC[C@H]1c1nccs1 ZINC000334063187 853844426 /nfs/dbraw/zinc/84/44/26/853844426.db2.gz BXYHEVVGLVSTGR-HZSPNIEDSA-N 0 0 395.575 3.924 10 0 GHAERN CC[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCO1 ZINC000330066978 862548451 /nfs/dbraw/zinc/54/84/51/862548451.db2.gz FEANODRICARQGX-QPXQOZNCSA-N 0 0 395.503 3.822 10 0 GHAERN CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCOC2(CCCCC2)C1 ZINC000328709323 854517351 /nfs/dbraw/zinc/51/73/51/854517351.db2.gz QRTDYFZJUWHTFG-IRXDYDNUSA-N 0 0 376.545 3.756 10 0 GHAERN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328734658 854541621 /nfs/dbraw/zinc/54/16/21/854541621.db2.gz IMSVFMLTGYEYBO-INIZCTEOSA-N 0 0 378.538 3.921 10 0 GHAERN O=C([C@H]1CCCc2sccc21)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000328834489 854568565 /nfs/dbraw/zinc/56/85/65/854568565.db2.gz SAZLEYFWFRROIO-DLBZAZTESA-N 0 0 395.484 3.818 10 0 GHAERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000124598933 854631173 /nfs/dbraw/zinc/63/11/73/854631173.db2.gz IKHCZENTLYCBDW-KUDFPVQQSA-N 0 0 392.471 3.542 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(c1ccnc(N[C@@H]3CCCO[C@@H]3C(C)C)n1)C2 ZINC000330142905 862610589 /nfs/dbraw/zinc/61/05/89/862610589.db2.gz QUVLORMQEZVRBD-OXQOHEQNSA-N 0 0 398.555 3.512 10 0 GHAERN O=[S@@](Cc1csc(-c2cccs2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105666274 855130197 /nfs/dbraw/zinc/13/01/97/855130197.db2.gz UWBOPNKFYHUWIG-XMMPIXPASA-N 0 0 377.472 3.964 10 0 GHAERN Cc1cccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1Br ZINC000190495551 855327169 /nfs/dbraw/zinc/32/71/69/855327169.db2.gz BADUQSXYOWWHCJ-CRAIPNDOSA-N 0 0 381.314 3.594 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000190144678 855419786 /nfs/dbraw/zinc/41/97/86/855419786.db2.gz WXCINKAVBXXTAN-GOEBONIOSA-N 0 0 396.274 3.923 10 0 GHAERN CC(C)[C@@H](C(=O)N[C@H]1CCCc2c(O)cccc21)S(=O)(=O)C1CCCCC1 ZINC000190269266 855433373 /nfs/dbraw/zinc/43/33/73/855433373.db2.gz RHSRQGYBOZXMJB-ICSRJNTNSA-N 0 0 393.549 3.658 10 0 GHAERN CC(C)[C@H](C(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)C1CCCCC1 ZINC000190269250 855433553 /nfs/dbraw/zinc/43/35/53/855433553.db2.gz RHSRQGYBOZXMJB-UYAOXDASSA-N 0 0 393.549 3.658 10 0 GHAERN Cc1ccc(Cl)cc1CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000190526260 855478137 /nfs/dbraw/zinc/47/81/37/855478137.db2.gz MDQFMHUOPZPGRS-YJBOKZPZSA-N 0 0 380.822 3.944 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCC2CCC(c3ccccc3)CC2)C1 ZINC000192378622 855795905 /nfs/dbraw/zinc/79/59/05/855795905.db2.gz WRXDHICTQOADHI-DXBWTPJFSA-N 0 0 398.507 3.823 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)n1 ZINC000330285118 862723133 /nfs/dbraw/zinc/72/31/33/862723133.db2.gz YJVLLHNKWMBOJE-UKRRQHHQSA-N 0 0 389.502 3.504 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)C(C)(C)Oc3ccc(F)cc3)C2)c1 ZINC000102382742 856390528 /nfs/dbraw/zinc/39/05/28/856390528.db2.gz MSNQXUDXNYFTGM-MRXNPFEDSA-N 0 0 386.467 3.634 10 0 GHAERN CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]1CCCN1C(=O)c1ccco1 ZINC000043506496 856537880 /nfs/dbraw/zinc/53/78/80/856537880.db2.gz SWVBGBBKBLHTCO-OAHLLOKOSA-N 0 0 380.366 3.562 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2C[C@H](c3cccs3)C[C@H]2C)c(=O)[nH]1 ZINC000371007510 857051652 /nfs/dbraw/zinc/05/16/52/857051652.db2.gz KVEXDVCOOGALRW-DGCLKSJQSA-N 0 0 377.535 3.611 10 0 GHAERN Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)cc2)cs1 ZINC000058119008 857259479 /nfs/dbraw/zinc/25/94/79/857259479.db2.gz MHZCRUCDOSTWNP-QGZVFWFLSA-N 0 0 381.457 3.955 10 0 GHAERN O=C(c1cccc(C(F)(F)F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000061546808 857528944 /nfs/dbraw/zinc/52/89/44/857528944.db2.gz LVOSWUMBUBQRCM-UHFFFAOYSA-N 0 0 382.426 3.960 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ccccc2)CC1 ZINC000067388052 858610648 /nfs/dbraw/zinc/61/06/48/858610648.db2.gz PXSBLXVFBVJQIG-QUCCMNQESA-N 0 0 398.528 3.884 10 0 GHAERN C[C@H]1CCCN(C(=O)Nc2cc(Br)ccc2N2CCCC2)[C@@H]1CO ZINC000132779057 858793910 /nfs/dbraw/zinc/79/39/10/858793910.db2.gz AIHRXZKCICHLPG-SUMWQHHRSA-N 0 0 396.329 3.674 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 ZINC000133915999 858822181 /nfs/dbraw/zinc/82/21/81/858822181.db2.gz MBGCFUFHKUKYJQ-KRWDZBQOSA-N 0 0 386.927 3.998 10 0 GHAERN COc1ccc([C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2nccn2C)cc1 ZINC000016472835 860163458 /nfs/dbraw/zinc/16/34/58/860163458.db2.gz XUYDSKDMHVRULK-HNNXBMFYSA-N 0 0 391.258 3.650 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000170895428 860420985 /nfs/dbraw/zinc/42/09/85/860420985.db2.gz CQYIWBJUUQOSFQ-NVXWUHKLSA-N 0 0 386.496 3.957 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccc(C)cc4)C3)C2)n1 ZINC000173064450 860436092 /nfs/dbraw/zinc/43/60/92/860436092.db2.gz YZEXUXKTCNZYPE-MOPGFXCFSA-N 0 0 397.544 3.515 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)C2)n1 ZINC000173069140 860647617 /nfs/dbraw/zinc/64/76/17/860647617.db2.gz SSFNLAUHKWSUDI-BRWVUGGUSA-N 0 0 384.501 3.732 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CCO2)n1 ZINC000282399867 860683451 /nfs/dbraw/zinc/68/34/51/860683451.db2.gz KMNREBIDVLILOM-CABCVRRESA-N 0 0 393.509 3.911 10 0 GHAERN CC(C)OC[C@H](O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000102656884 860811727 /nfs/dbraw/zinc/81/17/27/860811727.db2.gz WHXIDZGYUGRQAP-NSHDSACASA-N 0 0 396.559 3.602 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000102898133 860841728 /nfs/dbraw/zinc/84/17/28/860841728.db2.gz SOSIYRMVEVENGY-NRFANRHFSA-N 0 0 393.462 3.858 10 0 GHAERN CCOCc1ccccc1CNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102940811 860910541 /nfs/dbraw/zinc/91/05/41/860910541.db2.gz DTTZQXWZTPTONV-IBGZPJMESA-N 0 0 382.460 3.999 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3nc(CCC(C)C)no3)o2)cc1 ZINC000102947102 860913474 /nfs/dbraw/zinc/91/34/74/860913474.db2.gz DYKXMEKHZSPDMX-MHZLTWQESA-N 0 0 389.477 3.771 10 0 GHAERN Cc1ccc(C(C)(C)C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1 ZINC000102989986 860934144 /nfs/dbraw/zinc/93/41/44/860934144.db2.gz ZWYLAKCQPQZMID-HDICACEKSA-N 0 0 381.520 3.598 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C(C)C ZINC000329050969 860978944 /nfs/dbraw/zinc/97/89/44/860978944.db2.gz WJYYYXCUWIVWBD-DBXWQHBBSA-N 0 0 399.539 3.646 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)cnn1-c1cc(C)ccc1C ZINC000329208705 861141190 /nfs/dbraw/zinc/14/11/90/861141190.db2.gz BURCHRGUGCMYKX-LNLFQRSKSA-N 0 0 378.476 3.897 10 0 GHAERN O=C([C@H]1CCCN1c1nccs1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000329220985 861161889 /nfs/dbraw/zinc/16/18/89/861161889.db2.gz BRPDHBJBQMTZJT-QZTJIDSGSA-N 0 0 396.516 3.736 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1cccc(C=O)c1)c1ccccn1 ZINC000159910476 863150931 /nfs/dbraw/zinc/15/09/31/863150931.db2.gz LUOSWBYCSMGTSP-KSFYIVLOSA-N 0 0 390.439 3.576 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)NC3CCC(C(F)(F)F)CC3)CCO2)n1 ZINC000282565378 863232927 /nfs/dbraw/zinc/23/29/27/863232927.db2.gz YKCWJQMORCGBID-WXRRBKDZSA-N 0 0 377.432 3.656 10 0 GHAERN C[C@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000103224308 863912727 /nfs/dbraw/zinc/91/27/27/863912727.db2.gz UITFXTAFUDIDJM-GWQKEKGPSA-N 0 0 392.477 3.668 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)c21 ZINC000103128752 863926455 /nfs/dbraw/zinc/92/64/55/863926455.db2.gz ZIKIKPKMQDYOHR-FQEVSTJZSA-N 0 0 391.471 3.566 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCC(=O)c3ccc4c(c3)OCCO4)c21 ZINC000103129844 863927776 /nfs/dbraw/zinc/92/77/76/863927776.db2.gz WQKOYBQEXDYFIH-UHFFFAOYSA-N 0 0 392.455 3.569 10 0 GHAERN O=C(NCCCc1nc(-c2ccncc2)cs1)c1coc(Br)c1 ZINC000103277844 863938119 /nfs/dbraw/zinc/93/81/19/863938119.db2.gz XIAKIHCTTKSEFQ-UHFFFAOYSA-N 0 0 392.278 3.923 10 0 GHAERN COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc(SC(C)C)cc2)cc1 ZINC000103526004 864050592 /nfs/dbraw/zinc/05/05/92/864050592.db2.gz SBPBBNNZJFDSLZ-HNNXBMFYSA-N 0 0 386.517 3.803 10 0 GHAERN CC(=O)Nc1nc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cs1 ZINC000104220555 864195817 /nfs/dbraw/zinc/19/58/17/864195817.db2.gz WGPVOUKAOUTFCH-UHFFFAOYSA-N 0 0 377.429 3.897 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248408332 864832308 /nfs/dbraw/zinc/83/23/08/864832308.db2.gz CBOJHQYJXMFTGW-HPZZRFSDSA-N 0 0 382.501 3.510 10 0 GHAERN FC(F)(F)c1ccc(N2CCCN(c3ccc(C(F)(F)F)nn3)CC2)nc1 ZINC000301918866 865606506 /nfs/dbraw/zinc/60/65/06/865606506.db2.gz KAYQFSMBNMTZTF-UHFFFAOYSA-N 0 0 391.319 3.626 10 0 GHAERN Fc1ccc(Cc2nnc(N3CCC[C@@H]3c3nnc4n3CCCCC4)s2)cc1 ZINC000302134865 865727713 /nfs/dbraw/zinc/72/77/13/865727713.db2.gz ZNIYRWLDLVNQIE-MRXNPFEDSA-N 0 0 398.511 3.927 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000248889881 866534848 /nfs/dbraw/zinc/53/48/48/866534848.db2.gz SNSRIAPKQWXWFW-MFMILTCTSA-N 0 0 398.528 3.918 10 0 GHAERN CC(C)(C)c1csc([C@@H]2CN(c3cc(N4CCCCC4)ncn3)CCO2)n1 ZINC000110412728 866625038 /nfs/dbraw/zinc/62/50/38/866625038.db2.gz FGKKYJUDRFKPHE-HNNXBMFYSA-N 0 0 387.553 3.799 10 0 GHAERN CCn1cc(CN2CCCN(C(=O)N[C@H](C)c3ccccc3Cl)CC2)cn1 ZINC000112713965 866739121 /nfs/dbraw/zinc/73/91/21/866739121.db2.gz DKTJGILGRXWWGY-MRXNPFEDSA-N 0 0 389.931 3.535 10 0 GHAERN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113889810 866760275 /nfs/dbraw/zinc/76/02/75/866760275.db2.gz PCIDMXPZTQHCOH-FXAWDEMLSA-N 0 0 388.471 3.670 10 0 GHAERN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114741411 866770172 /nfs/dbraw/zinc/77/01/72/866770172.db2.gz NSEVAOANKNDGHD-NSHDSACASA-N 0 0 392.424 3.610 10 0 GHAERN CCCCC[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccccc1 ZINC000170825424 882059298 /nfs/dbraw/zinc/05/92/98/882059298.db2.gz OOILCEULPWHBBJ-LJQANCHMSA-N 0 0 378.480 3.783 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccnn1Cc1ccc(F)cc1 ZINC000171311608 882099097 /nfs/dbraw/zinc/09/90/97/882099097.db2.gz QMWLTHLFNJPTNV-QGZVFWFLSA-N 0 0 396.447 3.512 10 0 GHAERN COc1cc(C(=O)N2CCC(Cc3ccccn3)CC2)ccc1OC(F)F ZINC000171615719 882116784 /nfs/dbraw/zinc/11/67/84/882116784.db2.gz SGHSNJIQYVRYDM-UHFFFAOYSA-N 0 0 376.403 3.787 10 0 GHAERN COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171641634 882119668 /nfs/dbraw/zinc/11/96/68/882119668.db2.gz VMAMAKHLWRLYKO-ZIAGYGMSSA-N 0 0 390.530 3.817 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171647972 882121567 /nfs/dbraw/zinc/12/15/67/882121567.db2.gz NWJMJSPQCWNEOE-LFAOLKIESA-N 0 0 388.489 3.588 10 0 GHAERN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171610993 882145974 /nfs/dbraw/zinc/14/59/74/882145974.db2.gz GNYAUSVMUWWPAU-JOCHJYFZSA-N 0 0 380.488 3.734 10 0 GHAERN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171613380 882146007 /nfs/dbraw/zinc/14/60/07/882146007.db2.gz UUFXQZDJFMSMEA-JOCHJYFZSA-N 0 0 380.488 3.734 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)n1 ZINC000171714689 882156273 /nfs/dbraw/zinc/15/62/73/882156273.db2.gz IENRSTBTJCJLGL-AWEZNQCLSA-N 0 0 398.536 3.573 10 0 GHAERN O=C(Cc1cn2ccccc2n1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051422 882185740 /nfs/dbraw/zinc/18/57/40/882185740.db2.gz WPHBKKVOYHVBQK-GOSISDBHSA-N 0 0 385.471 3.673 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)c1 ZINC000172214825 882188495 /nfs/dbraw/zinc/18/84/95/882188495.db2.gz MAJUPMQGARBUCT-OAHLLOKOSA-N 0 0 375.494 3.888 10 0 GHAERN CNC(=O)c1ccc(C)c(NC(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000172457187 882277421 /nfs/dbraw/zinc/27/74/21/882277421.db2.gz KFGPSBMFFXTRPD-QAPCUYQASA-N 0 0 381.476 3.773 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c(OC)c1 ZINC000172636110 882280946 /nfs/dbraw/zinc/28/09/46/882280946.db2.gz FSUDAHRDCQRAPO-GHTZIAJQSA-N 0 0 398.503 3.717 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000172638604 882281079 /nfs/dbraw/zinc/28/10/79/882281079.db2.gz XLUZFSXBOHTXFC-OALUTQOASA-N 0 0 393.487 3.883 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NC[C@H](CCO)c3ccccc3)C2)n1 ZINC000172639712 882282578 /nfs/dbraw/zinc/28/25/78/882282578.db2.gz FMGJKDGSLXLIIL-ZWKOTPCHSA-N 0 0 387.549 3.761 10 0 GHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535729 882294043 /nfs/dbraw/zinc/29/40/43/882294043.db2.gz FSYNSYBXGSHLHR-GFCCVEGCSA-N 0 0 384.823 3.548 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172496742 882288923 /nfs/dbraw/zinc/28/89/23/882288923.db2.gz LWCZIFIPLUNMQS-LPHOPBHVSA-N 0 0 396.834 3.702 10 0 GHAERN CC[C@](C)(NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc(C)cs1 ZINC000172717491 882301738 /nfs/dbraw/zinc/30/17/38/882301738.db2.gz SCWYDQVRYDGBAP-IBGZPJMESA-N 0 0 391.562 3.807 10 0 GHAERN Cc1ncc(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)cc2)o1 ZINC000172734835 882304943 /nfs/dbraw/zinc/30/49/43/882304943.db2.gz XEZZFFCKOYKCCF-IBGZPJMESA-N 0 0 390.443 3.678 10 0 GHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172830889 882312027 /nfs/dbraw/zinc/31/20/27/882312027.db2.gz MDUKNPJLACQIDS-INIZCTEOSA-N 0 0 391.471 3.866 10 0 GHAERN CC(C)OCc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172884245 882316944 /nfs/dbraw/zinc/31/69/44/882316944.db2.gz FIEBOKYZZBFGSP-FQEVSTJZSA-N 0 0 381.476 3.640 10 0 GHAERN CC(C)n1ncc2ccc(NC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)cc21 ZINC000172912537 882322981 /nfs/dbraw/zinc/32/29/81/882322981.db2.gz VKUPNOIPOTTYCN-IBGZPJMESA-N 0 0 391.475 3.646 10 0 GHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c(F)c1 ZINC000172918194 882323635 /nfs/dbraw/zinc/32/36/35/882323635.db2.gz XERFIZMFKOUAAK-LJQANCHMSA-N 0 0 385.439 3.641 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000173043971 882334125 /nfs/dbraw/zinc/33/41/25/882334125.db2.gz TXWPFYDRQGBHFS-UHFFFAOYSA-N 0 0 395.478 3.512 10 0 GHAERN Cn1cc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000173164086 882336741 /nfs/dbraw/zinc/33/67/41/882336741.db2.gz WVKWKZZOUOFIDF-VAWYXSNFSA-N 0 0 387.483 3.613 10 0 GHAERN O=C(C1CCN(C(=O)[C@@H]2SCCc3ccccc32)CC1)N1CCCCCC1 ZINC000173126084 882351166 /nfs/dbraw/zinc/35/11/66/882351166.db2.gz OKBPNTMSEBHWRI-HXUWFJFHSA-N 0 0 386.561 3.658 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000092484985 882364446 /nfs/dbraw/zinc/36/44/46/882364446.db2.gz PYAVLZDXXVQZIM-UHFFFAOYSA-N 0 0 380.945 3.653 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)NC2CCN(c3ncccn3)CC2)c1C ZINC000173728746 882369810 /nfs/dbraw/zinc/36/98/10/882369810.db2.gz AYBYUFHARCYWCJ-HXUWFJFHSA-N 0 0 379.508 3.609 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(Cc3ncc(-c4ccccc4Cl)o3)CC2)n1 ZINC000173683692 882391682 /nfs/dbraw/zinc/39/16/82/882391682.db2.gz RXIVRAROBMCOCT-CYBMUJFWSA-N 0 0 387.871 3.565 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NCC2(c3cccc(C)c3)CCCC2)C1 ZINC000192376636 870410148 /nfs/dbraw/zinc/41/01/48/870410148.db2.gz DMEVMHJFUIBAMJ-RBUKOAKNSA-N 0 0 398.507 3.670 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(-n4cncn4)cc3C)C2)cc1 ZINC000173848692 882410202 /nfs/dbraw/zinc/41/02/02/882410202.db2.gz XVEYXZDNUCKJFU-SJLPKXTDSA-N 0 0 376.460 3.603 10 0 GHAERN CCCn1nccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 ZINC000102380752 882413495 /nfs/dbraw/zinc/41/34/95/882413495.db2.gz MAAPEZHLGVDBEK-UHFFFAOYSA-N 0 0 384.509 3.728 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3ccccc3OCC3CC3)C2)c1 ZINC000102383909 882416772 /nfs/dbraw/zinc/41/67/72/882416772.db2.gz GDCMOLFMTPXBIY-SFHVURJKSA-N 0 0 380.488 3.740 10 0 GHAERN COc1ccc(CCC(=O)N2CCC(Nc3ccccc3F)CC2)cc1OC ZINC000174085884 882423975 /nfs/dbraw/zinc/42/39/75/882423975.db2.gz OJDZUHLUOZTVRU-UHFFFAOYSA-N 0 0 386.467 3.879 10 0 GHAERN COc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c(OC)c1OC ZINC000174086036 882424162 /nfs/dbraw/zinc/42/41/62/882424162.db2.gz DHISYHWPVSLELH-UHFFFAOYSA-N 0 0 388.439 3.568 10 0 GHAERN CCc1ccc(-n2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)c3c2CCC3)cc1 ZINC000107592681 870629119 /nfs/dbraw/zinc/62/91/19/870629119.db2.gz WDZIRNJREYFLIO-FQEVSTJZSA-N 0 0 389.503 3.634 10 0 GHAERN CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1Cl ZINC000114811035 870635365 /nfs/dbraw/zinc/63/53/65/870635365.db2.gz SGQDCHRVNNWYEG-LLVKDONJSA-N 0 0 378.885 3.568 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)cn1 ZINC000102968189 870869218 /nfs/dbraw/zinc/86/92/18/870869218.db2.gz JKTMXRJCDJTIKN-OAQYLSRUSA-N 0 0 396.418 3.977 10 0 GHAERN CCCC[C@H](NS(=O)(=O)c1c(C)nn(C)c1Cl)c1ccc(OC)cc1 ZINC000103162685 871414737 /nfs/dbraw/zinc/41/47/37/871414737.db2.gz YVXOVVDRVFDXSB-HNNXBMFYSA-N 0 0 385.917 3.600 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(Cc2ccccc2)no1 ZINC000175023432 882515671 /nfs/dbraw/zinc/51/56/71/882515671.db2.gz GOFDXXQVTDYRLM-ZBFHGGJFSA-N 0 0 397.504 3.767 10 0 GHAERN O=C(NCc1cc(F)cc(F)c1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000175654575 882568968 /nfs/dbraw/zinc/56/89/68/882568968.db2.gz PVJQPOBJMXNXKB-MRXNPFEDSA-N 0 0 399.441 3.791 10 0 GHAERN CC(C)n1c(=S)n(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)nc1N(C)C ZINC000103458375 872015663 /nfs/dbraw/zinc/01/56/63/872015663.db2.gz UOFUGJTWKHEEMA-OAHLLOKOSA-N 0 0 389.525 3.584 10 0 GHAERN COc1c(C)cc(CN(C)Cn2nc(-c3cccnc3)n(C)c2=S)cc1C ZINC000101539239 872076270 /nfs/dbraw/zinc/07/62/70/872076270.db2.gz UZWUITICEWINRF-UHFFFAOYSA-N 0 0 383.521 3.728 10 0 GHAERN CCSc1nn(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(=S)s1 ZINC000101539369 872077382 /nfs/dbraw/zinc/07/73/82/872077382.db2.gz GCLJFOPCLPICRW-GFCCVEGCSA-N 0 0 388.628 3.616 10 0 GHAERN Cc1nc(-c2ccccc2)sc1COC(=O)Cn1cnc2ccccc2c1=O ZINC000101702930 872202117 /nfs/dbraw/zinc/20/21/17/872202117.db2.gz UDMJALJBPAKGPU-UHFFFAOYSA-N 0 0 391.452 3.572 10 0 GHAERN CC(C)COC(=O)N1CCC(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000101810153 872277377 /nfs/dbraw/zinc/27/73/77/872277377.db2.gz USIOLJLTUYVMPF-FQEVSTJZSA-N 0 0 384.476 3.990 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)C12CCCC2 ZINC000150815400 872445605 /nfs/dbraw/zinc/44/56/05/872445605.db2.gz GXZJBBPDAWGDKS-MORSLUCNSA-N 0 0 388.533 3.929 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000153242672 872593013 /nfs/dbraw/zinc/59/30/13/872593013.db2.gz DCDKDNVHBINLPY-HLIPFELVSA-N 0 0 379.508 3.725 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000175825770 882635667 /nfs/dbraw/zinc/63/56/67/882635667.db2.gz ZVBLGMRFUSJZED-NDEPHWFRSA-N 0 0 397.544 3.731 10 0 GHAERN CCC[C@@]1(C)CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000176074670 882662945 /nfs/dbraw/zinc/66/29/45/882662945.db2.gz HCCDBRXVJMPYHI-LIRRHRJNSA-N 0 0 384.517 3.902 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000176346881 882681275 /nfs/dbraw/zinc/68/12/75/882681275.db2.gz AMBKGBZJHWVXDC-HXUWFJFHSA-N 0 0 395.507 3.596 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000116199586 873306106 /nfs/dbraw/zinc/30/61/06/873306106.db2.gz VQVFAVBIHZHUJO-KGLIPLIRSA-N 0 0 390.455 3.505 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3c(F)cccc3Br)CC2)n1 ZINC000176746993 882709866 /nfs/dbraw/zinc/70/98/66/882709866.db2.gz WMSIEBBRDJXUIY-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN COc1ccc(-c2ccc(CNC(=O)N3CCC(n4cncn4)CC3)s2)cc1 ZINC000176525168 882711085 /nfs/dbraw/zinc/71/10/85/882711085.db2.gz CCWLHSIQMROIDY-UHFFFAOYSA-N 0 0 397.504 3.562 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1)C1CC1 ZINC000116568011 873567562 /nfs/dbraw/zinc/56/75/62/873567562.db2.gz WLHPLKYXKAINBX-GCJKJVERSA-N 0 0 378.520 3.666 10 0 GHAERN Cc1cccc([C@H](NC(=O)N2CCC(c3ccnn3CCO)CC2)C(C)(C)C)c1 ZINC000176857992 882745895 /nfs/dbraw/zinc/74/58/95/882745895.db2.gz FZJSWWYJHFTQLV-NRFANRHFSA-N 0 0 398.551 3.860 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)n1 ZINC000116938774 873794227 /nfs/dbraw/zinc/79/42/27/873794227.db2.gz DVUJCUGJFAEZSL-GOEBONIOSA-N 0 0 384.446 3.779 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccccc3N3CCCC3)CC2)n1 ZINC000116998108 873803456 /nfs/dbraw/zinc/80/34/56/873803456.db2.gz MNRWPFRJKYNVIE-UHFFFAOYSA-N 0 0 379.508 3.781 10 0 GHAERN C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117533 882762662 /nfs/dbraw/zinc/76/26/62/882762662.db2.gz SKDPZTDLAYHRLP-CQSZACIVSA-N 0 0 388.895 3.524 10 0 GHAERN CCC(=O)Nc1ccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000117001271 873846797 /nfs/dbraw/zinc/84/67/97/873846797.db2.gz GNPZWFVOPSQPGE-UHFFFAOYSA-N 0 0 381.480 3.529 10 0 GHAERN O=C(C/C=C/c1ccccc1F)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000177493070 882805661 /nfs/dbraw/zinc/80/56/61/882805661.db2.gz IRQNVGIGCHJVEY-GQCTYLIASA-N 0 0 380.419 3.771 10 0 GHAERN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177514525 882810770 /nfs/dbraw/zinc/81/07/70/882810770.db2.gz JHCVPHVIQWHKTR-NSHDSACASA-N 0 0 383.395 3.507 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)c1sccc1OC(F)F ZINC000104316104 874276407 /nfs/dbraw/zinc/27/64/07/874276407.db2.gz LZNOXAYVBODIGA-UHFFFAOYSA-N 0 0 380.416 3.796 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c2ccccc2)[nH]1 ZINC000177309836 882819532 /nfs/dbraw/zinc/81/95/32/882819532.db2.gz LTKPYECAIDXFQC-LJQANCHMSA-N 0 0 375.432 3.543 10 0 GHAERN COc1ccc(-c2nc(C[S@](=O)Cc3nc4ccccc4s3)no2)cc1 ZINC000177952979 882850973 /nfs/dbraw/zinc/85/09/73/882850973.db2.gz UDVNGZJUBVLSAG-SANMLTNESA-N 0 0 385.470 3.804 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccccc1SCCC(N)=O ZINC000177834730 882867621 /nfs/dbraw/zinc/86/76/21/882867621.db2.gz YAVOFXDXGVPDGS-OAHLLOKOSA-N 0 0 398.532 3.527 10 0 GHAERN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178221315 882875926 /nfs/dbraw/zinc/87/59/26/882875926.db2.gz WHNQZMYRNDAQGV-MRXNPFEDSA-N 0 0 396.462 3.800 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N(C)CCc1ccccc1OC ZINC000105018031 874979281 /nfs/dbraw/zinc/97/92/81/874979281.db2.gz JLMVCZOISDUTJH-UHFFFAOYSA-N 0 0 383.492 3.884 10 0 GHAERN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178358120 882907086 /nfs/dbraw/zinc/90/70/86/882907086.db2.gz LCVCQMKLXDCPOW-CTNGQTDRSA-N 0 0 394.496 3.972 10 0 GHAERN Cc1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cnn1-c1ccccc1 ZINC000178642566 882928306 /nfs/dbraw/zinc/92/83/06/882928306.db2.gz XHSWQZWQYGXORL-UHFFFAOYSA-N 0 0 394.500 3.733 10 0 GHAERN O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000174596052 875533233 /nfs/dbraw/zinc/53/32/33/875533233.db2.gz FPPWRZXFCXELDP-RDJZCZTQSA-N 0 0 390.553 3.561 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179361259 882964393 /nfs/dbraw/zinc/96/43/93/882964393.db2.gz GSIOBTSUQSQYQW-GFCCVEGCSA-N 0 0 385.518 3.887 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)n1 ZINC000179417244 882970164 /nfs/dbraw/zinc/97/01/64/882970164.db2.gz AVVFNCKTIXLLDK-INIZCTEOSA-N 0 0 381.398 3.830 10 0 GHAERN COc1cc(/C=C/C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccc1F ZINC000179113116 882971658 /nfs/dbraw/zinc/97/16/58/882971658.db2.gz HIEMQZRMUNUNLX-CSKARUKUSA-N 0 0 397.450 3.660 10 0 GHAERN COc1cc(C)c([C@H](C)NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000179144163 882975201 /nfs/dbraw/zinc/97/52/01/882975201.db2.gz KKAFBYQBMKBTGY-YWZLYKJASA-N 0 0 388.464 3.758 10 0 GHAERN Cn1c2ccccc2nc1[C@@H](NC(=O)C[C@H](O)c1ccccc1)c1ccccc1 ZINC000179737200 882997723 /nfs/dbraw/zinc/99/77/23/882997723.db2.gz ODJWXABWULLPJP-GMAHTHKFSA-N 0 0 385.467 3.903 10 0 GHAERN CCCOc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000179438736 882999084 /nfs/dbraw/zinc/99/90/84/882999084.db2.gz NINUYWUYXHZHIB-MRXNPFEDSA-N 0 0 379.464 3.930 10 0 GHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179811973 883030255 /nfs/dbraw/zinc/03/02/55/883030255.db2.gz VRCZIUWTWHZIJZ-HNNXBMFYSA-N 0 0 399.516 3.674 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000179981123 883042156 /nfs/dbraw/zinc/04/21/56/883042156.db2.gz NBGZKYFZZUWBOL-GOSISDBHSA-N 0 0 391.389 3.649 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@H]3Sc4ccccc4NC3=O)C2)cc1 ZINC000121229564 876667341 /nfs/dbraw/zinc/66/73/41/876667341.db2.gz BKBHLPCZKONTHF-YYFZDKIDSA-N 0 0 396.512 3.903 10 0 GHAERN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000121239400 876675712 /nfs/dbraw/zinc/67/57/12/876675712.db2.gz DADVORNZWKNOPG-QWHCGFSZSA-N 0 0 380.366 3.889 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000121320227 876932731 /nfs/dbraw/zinc/93/27/31/876932731.db2.gz LMJOAFBPAZEKHT-QVKFZJNVSA-N 0 0 378.403 3.706 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)C1CCN(C(=O)c2cccs2)CC1 ZINC000180585524 883081197 /nfs/dbraw/zinc/08/11/97/883081197.db2.gz NGBWOAYVRNXIRE-UHFFFAOYSA-N 0 0 383.395 3.653 10 0 GHAERN COc1ccccc1C(C)(C)NC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000121604337 877467180 /nfs/dbraw/zinc/46/71/80/877467180.db2.gz GUWMZGHVOUAFCQ-GOSISDBHSA-N 0 0 398.438 3.850 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3sc(-c4cnn(C)c4)nc3C)C2)cc1 ZINC000121922060 878047152 /nfs/dbraw/zinc/04/71/52/878047152.db2.gz FUEGBCQOWLDACT-CZUORRHYSA-N 0 0 396.516 3.879 10 0 GHAERN CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)CCO1 ZINC000181133078 883148976 /nfs/dbraw/zinc/14/89/76/883148976.db2.gz ROGVSATZMNHENQ-WOJBJXKFSA-N 0 0 388.556 3.642 10 0 GHAERN CCOC(=O)c1cccc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000181576585 883163882 /nfs/dbraw/zinc/16/38/82/883163882.db2.gz ZCQLNEJVHAXMHX-KRWDZBQOSA-N 0 0 397.479 3.550 10 0 GHAERN O=C(c1cccc(Oc2ccccc2)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181926190 883193448 /nfs/dbraw/zinc/19/34/48/883193448.db2.gz YIQKYHPLCLZVEV-UHFFFAOYSA-N 0 0 391.471 3.688 10 0 GHAERN O=C1C[C@@H](CNc2nnc(Cc3ccccc3F)s2)CN1Cc1ccccc1 ZINC000181982026 883196980 /nfs/dbraw/zinc/19/69/80/883196980.db2.gz CKGPTTDHJWMAHL-INIZCTEOSA-N 0 0 396.491 3.729 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000182553292 883225996 /nfs/dbraw/zinc/22/59/96/883225996.db2.gz LXUQGEZSIVUBAO-LLVKDONJSA-N 0 0 378.429 3.872 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](C)c3nc4ccccc4n3C)cc2)CCC(=O)NC1=O ZINC000182739445 883233543 /nfs/dbraw/zinc/23/35/43/883233543.db2.gz BEJODLAOHSEESP-CMJOXMDJSA-N 0 0 390.487 3.831 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CN[C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490550 883267352 /nfs/dbraw/zinc/26/73/52/883267352.db2.gz DJTUPSCQXWOIIT-QUCCMNQESA-N 0 0 385.533 3.865 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000183247214 883274569 /nfs/dbraw/zinc/27/45/69/883274569.db2.gz ZPZULKWVTLKJRJ-HNNXBMFYSA-N 0 0 384.395 3.954 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)CCc2cccs2)c2ccc(F)cc2C1 ZINC000184013864 883298381 /nfs/dbraw/zinc/29/83/81/883298381.db2.gz YIXQZBGRLUOJNR-LJQANCHMSA-N 0 0 389.496 3.565 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c(C)[nH]c3ccccc32)c2ccc(F)cc2C1 ZINC000184111475 883320394 /nfs/dbraw/zinc/32/03/94/883320394.db2.gz BZIQINWMCWIYTC-QFIPXVFZSA-N 0 0 393.462 3.768 10 0 GHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCSC[C@H]1c1nccs1 ZINC000184157781 883326159 /nfs/dbraw/zinc/32/61/59/883326159.db2.gz VGMHVZUYHQUYPV-ZVVFDCPKSA-N 0 0 382.514 3.659 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000184444859 883336301 /nfs/dbraw/zinc/33/63/01/883336301.db2.gz PGHLVAMXHWUPCG-UHFFFAOYSA-N 0 0 393.459 3.743 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184635801 883369031 /nfs/dbraw/zinc/36/90/31/883369031.db2.gz OSWPNHIKLKHWHA-LEWJYISDSA-N 0 0 399.441 3.745 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1NC(=O)C(C)(C)C ZINC000185335068 883437996 /nfs/dbraw/zinc/43/79/96/883437996.db2.gz GFCNIABOAYHREC-MRXNPFEDSA-N 0 0 384.484 3.857 10 0 GHAERN CC[C@@H](OC1CCCCC1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185514813 883548952 /nfs/dbraw/zinc/54/89/52/883548952.db2.gz WOQYCIODQMLILE-NHCUHLMSSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)c2ccc(F)cc2C1 ZINC000185532840 883551499 /nfs/dbraw/zinc/55/14/99/883551499.db2.gz ABMHDGLSBRAMNM-JOCHJYFZSA-N 0 0 382.479 3.903 10 0 GHAERN COc1cc(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)ccc1OC(C)C ZINC000186232083 883622984 /nfs/dbraw/zinc/62/29/84/883622984.db2.gz XKKWFXPZWBOHBF-IBGZPJMESA-N 0 0 395.463 3.820 10 0 GHAERN O=S1(=O)CC[C@@H](N[C@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000186306232 883630519 /nfs/dbraw/zinc/63/05/19/883630519.db2.gz OYYHGIFQPCPGII-WIYYLYMNSA-N 0 0 382.460 3.818 10 0 GHAERN O=S1(=O)CC[C@@H](N[C@@H](c2cccc(F)c2)c2ccccn2)c2ccccc21 ZINC000186306199 883630762 /nfs/dbraw/zinc/63/07/62/883630762.db2.gz OYYHGIFQPCPGII-NQIIRXRSSA-N 0 0 382.460 3.818 10 0 GHAERN O=C(NC1(Cc2ccccc2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000186286820 883636125 /nfs/dbraw/zinc/63/61/25/883636125.db2.gz NKWIXLSGNJEFDE-UHFFFAOYSA-N 0 0 380.463 3.569 10 0 GHAERN COCCC1(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)CCCCC1 ZINC000186293704 883637871 /nfs/dbraw/zinc/63/78/71/883637871.db2.gz AFBWMMOWWZHZCN-GOSISDBHSA-N 0 0 399.539 3.605 10 0 GHAERN CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186642063 883678896 /nfs/dbraw/zinc/67/88/96/883678896.db2.gz YUAFWVGYKCANCR-UHFFFAOYSA-N 0 0 393.491 3.928 10 0 GHAERN Cc1c([C@@H](C)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652387 883682264 /nfs/dbraw/zinc/68/22/64/883682264.db2.gz AUXOFEIIYPREME-IVZQSRNASA-N 0 0 390.466 3.889 10 0 GHAERN Cc1ccccc1C(=O)NC1CCN(C(=O)Cc2ccc(OC(C)C)cc2)CC1 ZINC000186698524 883687728 /nfs/dbraw/zinc/68/77/28/883687728.db2.gz XUOHTBSSLMCISH-UHFFFAOYSA-N 0 0 394.515 3.746 10 0 GHAERN CCOc1ccc([C@H]2CCCN2C(=O)CN[C@@H](C)c2ccncc2OC)cc1 ZINC000187060977 883734523 /nfs/dbraw/zinc/73/45/23/883734523.db2.gz JOJZNOXCVMZELV-OXJNMPFZSA-N 0 0 383.492 3.503 10 0 GHAERN COc1cc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000187080903 883753717 /nfs/dbraw/zinc/75/37/17/883753717.db2.gz RBURSJWYLAQGIA-SFHVURJKSA-N 0 0 389.402 3.588 10 0 GHAERN O=C(Nc1ccc(OC2COC2)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000187180792 883759963 /nfs/dbraw/zinc/75/99/63/883759963.db2.gz RQHWBBDJYYPMSW-UHFFFAOYSA-N 0 0 385.439 3.712 10 0 GHAERN C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2ccnc2)c1 ZINC000187352262 883770211 /nfs/dbraw/zinc/77/02/11/883770211.db2.gz UYEPREAORQUVPN-HNNXBMFYSA-N 0 0 396.520 3.676 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2cccn2)c1 ZINC000187378511 883783898 /nfs/dbraw/zinc/78/38/98/883783898.db2.gz LTQBJQYVLXBOFW-OAHLLOKOSA-N 0 0 396.520 3.676 10 0 GHAERN O=C(NCc1cccc(-c2ccccn2)c1)N1CCC(Nc2nccs2)CC1 ZINC000187664133 883805678 /nfs/dbraw/zinc/80/56/78/883805678.db2.gz JZWBEIQQGXILJP-UHFFFAOYSA-N 0 0 393.516 3.991 10 0 GHAERN COCCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000188188041 883828785 /nfs/dbraw/zinc/82/87/85/883828785.db2.gz XOUMFWDDXPEYMW-UHFFFAOYSA-N 0 0 384.451 3.506 10 0 GHAERN Cc1coc(-c2cccc(NC(=O)C(=O)N[C@H]3CCOc4c(C)cccc43)c2)n1 ZINC000188684339 883870109 /nfs/dbraw/zinc/87/01/09/883870109.db2.gz NSXOAEYJEHIRFM-SFHVURJKSA-N 0 0 391.427 3.537 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000189121096 883921423 /nfs/dbraw/zinc/92/14/23/883921423.db2.gz XWMKEWGDUCNNBL-FUHWJXTLSA-N 0 0 399.472 3.621 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000189345735 883938328 /nfs/dbraw/zinc/93/83/28/883938328.db2.gz LGJPBHFVPAUORE-OLMNPRSZSA-N 0 0 388.851 3.791 10 0 GHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189368951 883941894 /nfs/dbraw/zinc/94/18/94/883941894.db2.gz KYLUQARRRFNKRB-CYBMUJFWSA-N 0 0 376.448 3.850 10 0 GHAERN CO[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(F)cc1 ZINC000189392046 883943405 /nfs/dbraw/zinc/94/34/05/883943405.db2.gz BLNMRXVCCQVKKH-HXUWFJFHSA-N 0 0 384.451 3.791 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Br ZINC000189489835 883947356 /nfs/dbraw/zinc/94/73/56/883947356.db2.gz QBPMMZRBNWKKJL-CQSZACIVSA-N 0 0 393.285 3.741 10 0 GHAERN CS(=O)(=O)c1ccccc1NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189518914 883959504 /nfs/dbraw/zinc/95/95/04/883959504.db2.gz MCLAKFHBTPFWLI-CYBMUJFWSA-N 0 0 394.443 3.780 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CC4(CCOCC4)c4ccccc43)nc21 ZINC000189799179 883996899 /nfs/dbraw/zinc/99/68/99/883996899.db2.gz AUHAIUUPVZMXLT-UHFFFAOYSA-N 0 0 375.472 3.899 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000189732557 884002660 /nfs/dbraw/zinc/00/26/60/884002660.db2.gz YMKJOTVUJZGBHC-HNNXBMFYSA-N 0 0 381.249 3.999 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1nnc2ccccn21 ZINC000189898931 884006904 /nfs/dbraw/zinc/00/69/04/884006904.db2.gz ATOACWRSKOOLBV-ZIAGYGMSSA-N 0 0 385.418 3.658 10 0 GHAERN O=C([C@@H]1CCCC[C@H]1C(=O)N1CC2(CCOCC2)c2ccccc21)N1CCCC1 ZINC000189838719 884016036 /nfs/dbraw/zinc/01/60/36/884016036.db2.gz UHOFYATYTPLOIF-RTBURBONSA-N 0 0 396.531 3.510 10 0 GHAERN O=C(N1CC2(CCOCC2)c2ccccc21)C1(c2ccccc2)CCOCC1 ZINC000189836731 884016118 /nfs/dbraw/zinc/01/61/18/884016118.db2.gz DLXXCWJYUMHJTG-UHFFFAOYSA-N 0 0 377.484 3.830 10 0 GHAERN CSc1nc(C(=O)N2CC3(CCOCC3)c3ccccc32)c2ccccn21 ZINC000189847748 884016468 /nfs/dbraw/zinc/01/64/68/884016468.db2.gz WLCADYFABKUTEA-UHFFFAOYSA-N 0 0 379.485 3.765 10 0 GHAERN O=C([C@@H]1CCCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21)N1CCCC1 ZINC000189838743 884016522 /nfs/dbraw/zinc/01/65/22/884016522.db2.gz UHOFYATYTPLOIF-MOPGFXCFSA-N 0 0 396.531 3.510 10 0 GHAERN Cc1oc(-c2ccco2)nc1CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189857632 884017576 /nfs/dbraw/zinc/01/75/76/884017576.db2.gz AOXGQNDPHQGCQB-UHFFFAOYSA-N 0 0 378.428 3.881 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000190022324 884043440 /nfs/dbraw/zinc/04/34/40/884043440.db2.gz JPQBZTCJPPULGP-CJNGLKHVSA-N 0 0 398.290 3.996 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCCCCC3)c2)C1 ZINC000190130879 884047634 /nfs/dbraw/zinc/04/76/34/884047634.db2.gz ZZWIQJKHWHKQPB-OALUTQOASA-N 0 0 399.495 3.752 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000190154989 884049234 /nfs/dbraw/zinc/04/92/34/884049234.db2.gz UWLAMFAYUBFJNV-IBGZPJMESA-N 0 0 382.508 3.698 10 0 GHAERN Cc1cc(C(=O)CCC(=O)N2CCC(Nc3nccs3)CC2)c(C)s1 ZINC000190396606 884057711 /nfs/dbraw/zinc/05/77/11/884057711.db2.gz VLQFVAFICQSRCH-UHFFFAOYSA-N 0 0 377.535 3.887 10 0 GHAERN COc1ccc(F)cc1[C@@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190285344 884064171 /nfs/dbraw/zinc/06/41/71/884064171.db2.gz MDQIWKIGLOKSAM-GFCCVEGCSA-N 0 0 378.473 3.638 10 0 GHAERN C/C=C/c1ccc(OCC(=O)N2CCC(Nc3nccs3)CC2)c(OC)c1 ZINC000190376545 884074183 /nfs/dbraw/zinc/07/41/83/884074183.db2.gz XOMCDVAONXMYCC-ONEGZZNKSA-N 0 0 387.505 3.667 10 0 GHAERN CC1CCC(N2C[C@H](c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2=O)CC1 ZINC000190390873 884075007 /nfs/dbraw/zinc/07/50/07/884075007.db2.gz ZFVXJZRSPSLZMO-VUNNURSKSA-N 0 0 375.513 3.883 10 0 GHAERN O=C(c1ccc(OCc2ccccc2)nc1)N1CCC(Nc2nccs2)CC1 ZINC000190403933 884076970 /nfs/dbraw/zinc/07/69/70/884076970.db2.gz KKSXTFGAHXJPES-UHFFFAOYSA-N 0 0 394.500 3.834 10 0 GHAERN CCCn1ccnc1CCCN(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000190563143 884096807 /nfs/dbraw/zinc/09/68/07/884096807.db2.gz JODYVRROTRJJOA-UHFFFAOYSA-N 0 0 389.569 3.598 10 0 GHAERN COc1cccc(-c2noc([C@@H](C)NCc3c(C)nc4sc(C)cn34)n2)c1 ZINC000191563475 884199955 /nfs/dbraw/zinc/19/99/55/884199955.db2.gz MYVMZCOCLNFVQX-CYBMUJFWSA-N 0 0 383.477 3.922 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)n1 ZINC000191785958 884210601 /nfs/dbraw/zinc/21/06/01/884210601.db2.gz UKJNSEORRFYLTI-UHFFFAOYSA-N 0 0 375.860 3.555 10 0 GHAERN CN(C)c1noc(CNCc2nc(-c3cc(Cl)ccc3Cl)cs2)n1 ZINC000191898870 884217329 /nfs/dbraw/zinc/21/73/29/884217329.db2.gz GDVPCFIWCMHLRN-UHFFFAOYSA-N 0 0 384.292 3.856 10 0 GHAERN Cc1noc(C)c1CCC(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000191932924 884221798 /nfs/dbraw/zinc/22/17/98/884221798.db2.gz NXLIZGRDOSTFKS-QGZVFWFLSA-N 0 0 391.512 3.615 10 0 GHAERN O=C(CN1CC2(CCOCC2)c2ccccc21)Nc1ccccc1OC(F)F ZINC000192290116 884248375 /nfs/dbraw/zinc/24/83/75/884248375.db2.gz RVMPOLOFJZXCQM-UHFFFAOYSA-N 0 0 388.414 3.795 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000192419687 884260833 /nfs/dbraw/zinc/26/08/33/884260833.db2.gz NQMVVJLHZHJAMO-UHFFFAOYSA-N 0 0 398.429 3.747 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NCC1CCC3(CC1)OCCO3)CCC2 ZINC000192628909 884271570 /nfs/dbraw/zinc/27/15/70/884271570.db2.gz GZJRAMSURPOJHS-INIZCTEOSA-N 0 0 393.553 3.658 10 0 GHAERN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc(-c2cc[nH]n2)c1 ZINC000192886474 884307496 /nfs/dbraw/zinc/30/74/96/884307496.db2.gz IIRWTSCYEUSVSB-UHFFFAOYSA-N 0 0 395.419 3.997 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000192952752 884315747 /nfs/dbraw/zinc/31/57/47/884315747.db2.gz KNARWEUQMZNRBA-DLBZAZTESA-N 0 0 386.377 3.706 10 0 GHAERN Cn1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000193062288 884323811 /nfs/dbraw/zinc/32/38/11/884323811.db2.gz PGCGEOWLGBJWOV-VUDGCMKMSA-N 0 0 398.816 3.907 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@@H]1CCSc2ccc(F)cc21 ZINC000193260186 884334759 /nfs/dbraw/zinc/33/47/59/884334759.db2.gz RIVRTGNRYSCJCO-RHSMWYFYSA-N 0 0 385.464 3.788 10 0 GHAERN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NC1CCOCC1 ZINC000102714404 884357304 /nfs/dbraw/zinc/35/73/04/884357304.db2.gz PSXFFUKYJLGHMQ-UHFFFAOYSA-N 0 0 385.514 3.746 10 0 GHAERN CCn1c(SCc2nc(-c3ccoc3)no2)nnc1-c1ccccc1OC ZINC000105572358 884813507 /nfs/dbraw/zinc/81/35/07/884813507.db2.gz ZVBNRQLUBIOVQI-UHFFFAOYSA-N 0 0 383.433 3.909 10 0 GHAERN C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[S@@](=O)Cc1csc(Br)c1 ZINC000105692218 884833834 /nfs/dbraw/zinc/83/38/34/884833834.db2.gz VUDQKINPMNOHGF-AOCLKYBKSA-N 0 0 392.384 3.843 10 0 GHAERN O=C(C[S@](=O)Cc1csc(Br)c1)Nc1ccc(F)cc1F ZINC000105692189 884834257 /nfs/dbraw/zinc/83/42/57/884834257.db2.gz FSPTWNDKRXDAAA-NRFANRHFSA-N 0 0 394.262 3.676 10 0 GHAERN Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)cc1C ZINC000105878101 884898444 /nfs/dbraw/zinc/89/84/44/884898444.db2.gz OLLJIFDKJMELKK-UHFFFAOYSA-N 0 0 394.393 3.590 10 0 GHAERN CCC[C@](C)(NC(=O)c1cc(-c2ccccc2)nc2onc(C)c21)C(=O)OC ZINC000105877217 884898618 /nfs/dbraw/zinc/89/86/18/884898618.db2.gz MEDZYDROJXAFJF-NRFANRHFSA-N 0 0 381.432 3.660 10 0 GHAERN CCOc1ccc(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1F ZINC000105985064 884940002 /nfs/dbraw/zinc/94/00/02/884940002.db2.gz VWKQFYMXLZFSRP-UHFFFAOYSA-N 0 0 395.434 3.526 10 0 GHAERN CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000105986003 884941163 /nfs/dbraw/zinc/94/11/63/884941163.db2.gz BDYUKDWSFWXBCJ-IBGZPJMESA-N 0 0 394.450 3.955 10 0 GHAERN CCS(=O)(=O)N(Cc1csc(C(C)(C)C)n1)c1ccc(C(C)=O)cc1 ZINC000104055058 885243853 /nfs/dbraw/zinc/24/38/53/885243853.db2.gz XIBSGQXJHVRCCL-UHFFFAOYSA-N 0 0 380.535 4.000 10 0 GHAERN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000104426858 885428629 /nfs/dbraw/zinc/42/86/29/885428629.db2.gz YHXMQYPFGAHTJR-GOSISDBHSA-N 0 0 385.830 3.726 10 0 GHAERN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000104426860 885428653 /nfs/dbraw/zinc/42/86/53/885428653.db2.gz YHXMQYPFGAHTJR-SFHVURJKSA-N 0 0 385.830 3.726 10 0 GHAERN CCOc1ccc(C(=O)N2CCC(NC(=O)N3CCC[C@H]3C3CCC3)CC2)cc1 ZINC000102902338 885978979 /nfs/dbraw/zinc/97/89/79/885978979.db2.gz YPMSHKMHHCSFIZ-NRFANRHFSA-N 0 0 399.535 3.664 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000106165784 886027044 /nfs/dbraw/zinc/02/70/44/886027044.db2.gz VNLIKWWSDMEUEQ-UHFFFAOYSA-N 0 0 381.307 3.620 10 0 GHAERN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H](NC(N)=O)C(C)C ZINC000106923214 886040303 /nfs/dbraw/zinc/04/03/03/886040303.db2.gz PZEAHQOHROYTFO-QMTHXVAHSA-N 0 0 394.928 3.642 10 0 GHAERN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000109999304 886167664 /nfs/dbraw/zinc/16/76/64/886167664.db2.gz OWAGDWJURVYNOF-CQSZACIVSA-N 0 0 386.883 3.694 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(CN3CCCC3=O)c1)CCC2 ZINC000110527773 886202789 /nfs/dbraw/zinc/20/27/89/886202789.db2.gz YJLGRBREMVFQFM-SFHVURJKSA-N 0 0 383.517 3.724 10 0 GHAERN Cc1noc(C)c1CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113603981 886298069 /nfs/dbraw/zinc/29/80/69/886298069.db2.gz CAYHQRZABVFMHW-QGZVFWFLSA-N 0 0 379.464 3.771 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(Br)cc3F)CC2)n1 ZINC000116669540 886369751 /nfs/dbraw/zinc/36/97/51/886369751.db2.gz MFQJRLNHEKHHJX-UHFFFAOYSA-N 0 0 392.272 3.690 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000105133319 886385278 /nfs/dbraw/zinc/38/52/78/886385278.db2.gz RQQKQLWRDLRDGR-INIZCTEOSA-N 0 0 395.503 3.989 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccc2ccccc2c1 ZINC000118956448 886417394 /nfs/dbraw/zinc/41/73/94/886417394.db2.gz AESIDHPKNNRTJK-QGZVFWFLSA-N 0 0 375.476 3.613 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)C[C@H](C)O1 ZINC000332743386 886541762 /nfs/dbraw/zinc/54/17/62/886541762.db2.gz OKOFNZULKPJTGF-FZKCQIBNSA-N 0 0 395.569 3.727 10 0 GHAERN O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000332808075 886549441 /nfs/dbraw/zinc/54/94/41/886549441.db2.gz RYSVKYYZDPFPHA-TXDAXLQXSA-N 0 0 395.528 3.520 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCO[C@H](c3cccc(Cl)c3)C1)CCC2 ZINC000332913501 886561403 /nfs/dbraw/zinc/56/14/03/886561403.db2.gz NLVXEOXFUGCNGV-AEFFLSMTSA-N 0 0 388.899 3.505 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N(Cc1ccc(O)cc1)CC1CC1 ZINC000124635790 886775908 /nfs/dbraw/zinc/77/59/08/886775908.db2.gz XBNGJXACEODQRH-LJQANCHMSA-N 0 0 382.485 3.634 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(F)cc1F ZINC000042806967 886817663 /nfs/dbraw/zinc/81/76/63/886817663.db2.gz URHWDOXTTFAHBU-KGLIPLIRSA-N 0 0 385.418 3.658 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000126367468 886962678 /nfs/dbraw/zinc/96/26/78/886962678.db2.gz KFDFZSDBXHRKEN-NHCUHLMSSA-N 0 0 396.531 3.953 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccc(CSc4nccn4C)c3)CCO2)o1 ZINC000127079947 887029200 /nfs/dbraw/zinc/02/92/00/887029200.db2.gz MZZOHUCDJLWGME-IBGZPJMESA-N 0 0 397.500 3.828 10 0 GHAERN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278588 887041776 /nfs/dbraw/zinc/04/17/76/887041776.db2.gz YQHFBBGXMLZWBL-HOTGVXAUSA-N 0 0 390.530 3.686 10 0 GHAERN Fc1cc(-c2noc(CN[C@H]3CCCC[C@H]3n3cccn3)n2)cc(F)c1F ZINC000127922722 887123318 /nfs/dbraw/zinc/12/33/18/887123318.db2.gz HJXDDOQNAWMDMP-LSDHHAIUSA-N 0 0 377.370 3.624 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000046434900 887194943 /nfs/dbraw/zinc/19/49/43/887194943.db2.gz WTPVENJRBWATEV-OAHLLOKOSA-N 0 0 384.436 3.557 10 0 GHAERN Cc1cccc2c(CCNC(=O)C[C@H]3Sc4ccccc4NC3=O)c[nH]c21 ZINC000128533999 887200460 /nfs/dbraw/zinc/20/04/60/887200460.db2.gz VIQFSHUJRXPCQO-GOSISDBHSA-N 0 0 379.485 3.638 10 0 GHAERN O=C(NCc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cs1)c1ccccc1 ZINC000129110322 887261376 /nfs/dbraw/zinc/26/13/76/887261376.db2.gz YOFPHKIDGCBREL-OALUTQOASA-N 0 0 395.532 3.543 10 0 GHAERN Cc1ccc(Br)c(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000129209488 887271519 /nfs/dbraw/zinc/27/15/19/887271519.db2.gz IMHLTAVCHJLKLR-AWEZNQCLSA-N 0 0 376.254 3.838 10 0 GHAERN COc1ccc(CCNC(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000047195778 887280659 /nfs/dbraw/zinc/28/06/59/887280659.db2.gz KMDDPEDIQHZERH-UHFFFAOYSA-N 0 0 395.503 3.606 10 0 GHAERN O=C(NC[C@H](O)c1ccc(Cl)c(F)c1)NC1CCN(c2cccs2)CC1 ZINC000132463660 887662553 /nfs/dbraw/zinc/66/25/53/887662553.db2.gz SDIDRFXPEYMDSM-INIZCTEOSA-N 0 0 397.903 3.542 10 0 GHAERN Nn1c(SCc2ncc(-c3ccccc3Cl)o2)nnc1C(F)(F)F ZINC000133378934 887756546 /nfs/dbraw/zinc/75/65/46/887756546.db2.gz ZPJOQAYICXAUJW-UHFFFAOYSA-N 0 0 375.763 3.611 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3OCc3c(C)noc3C)CCO2)o1 ZINC000133920834 887815655 /nfs/dbraw/zinc/81/56/55/887815655.db2.gz FZJGZMVIUHWEBO-NRFANRHFSA-N 0 0 396.443 3.986 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000134333823 887860863 /nfs/dbraw/zinc/86/08/63/887860863.db2.gz YKMSMERWCGTFHH-DZGCQCFKSA-N 0 0 399.438 3.618 10 0 GHAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350591 887862871 /nfs/dbraw/zinc/86/28/71/887862871.db2.gz DQMIQFQDLWPVHC-SJORKVTESA-N 0 0 375.476 3.626 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000135190020 887952189 /nfs/dbraw/zinc/95/21/89/887952189.db2.gz QQVRLYFEVMDVRU-IBGZPJMESA-N 0 0 380.463 3.653 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)Nc2nc(-c3nccn3C)cs2)n1 ZINC000135547637 888247568 /nfs/dbraw/zinc/24/75/68/888247568.db2.gz MOKCCWQDQOCIFS-UHFFFAOYSA-N 0 0 380.424 3.586 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000054024369 888261352 /nfs/dbraw/zinc/26/13/52/888261352.db2.gz SAJROXGXUIQSTJ-AZUAARDMSA-N 0 0 375.476 3.770 10 0 GHAERN Cc1ccc(-c2noc(CNc3ccccc3N3CCC(O)CC3)n2)cc1F ZINC000055887905 888337090 /nfs/dbraw/zinc/33/70/90/888337090.db2.gz JGMFOFWYJJWWJA-UHFFFAOYSA-N 0 0 382.439 3.757 10 0 GHAERN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(C(=O)NC2CC2)CC1 ZINC000056004798 888344956 /nfs/dbraw/zinc/34/49/56/888344956.db2.gz DFZVEJHWFXIVHU-UHFFFAOYSA-N 0 0 376.500 3.726 10 0 GHAERN CN1CC[C@@H](CNC(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000056047645 888346593 /nfs/dbraw/zinc/34/65/93/888346593.db2.gz BWRSCERMXSZKOR-SFHVURJKSA-N 0 0 390.487 3.799 10 0 GHAERN Cc1c(Br)cccc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000137326019 888347904 /nfs/dbraw/zinc/34/79/04/888347904.db2.gz TUJJJUQMEHRZEA-AWEZNQCLSA-N 0 0 376.254 3.838 10 0 GHAERN CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@H]2CCN(C)c3ccccc32)c1 ZINC000056488646 888363402 /nfs/dbraw/zinc/36/34/02/888363402.db2.gz ODTPSGACGBOUHC-CRAIPNDOSA-N 0 0 380.492 3.629 10 0 GHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194046605 888549648 /nfs/dbraw/zinc/54/96/48/888549648.db2.gz ULRMJLMSKSYMEP-CTNGQTDRSA-N 0 0 390.487 3.603 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccc(F)c(F)c2F)CC1)c1ccccc1 ZINC000243886594 888734264 /nfs/dbraw/zinc/73/42/64/888734264.db2.gz ROVZHMOTRSBMGM-UHFFFAOYSA-N 0 0 376.378 3.619 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000245386125 888743821 /nfs/dbraw/zinc/74/38/21/888743821.db2.gz KGEJWTXSPQFNTE-KPFFTGBYSA-N 0 0 382.485 3.526 10 0 GHAERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000245417157 888747219 /nfs/dbraw/zinc/74/72/19/888747219.db2.gz JNOOTUQECVWGII-QADWPORPSA-N 0 0 399.560 3.750 10 0 GHAERN Cc1c(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)cnn1CCO[C@H]1CCCCO1 ZINC000245694048 889245506 /nfs/dbraw/zinc/24/55/06/889245506.db2.gz XRWFLDLGJTVYMC-NDXORKPFSA-N 0 0 383.492 3.568 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)cc2)co1 ZINC000245882102 889927081 /nfs/dbraw/zinc/92/70/81/889927081.db2.gz BEUGDBCMOKYSSS-MJGOQNOKSA-N 0 0 388.489 3.562 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000246059587 890276475 /nfs/dbraw/zinc/27/64/75/890276475.db2.gz CDWHOQOQIWGLDL-GIYVSIDVSA-N 0 0 391.437 3.868 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000246084544 890327849 /nfs/dbraw/zinc/32/78/49/890327849.db2.gz YZWFHIGXOSAUBZ-CSMVYWCQSA-N 0 0 385.552 3.689 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC000246243317 890815436 /nfs/dbraw/zinc/81/54/36/890815436.db2.gz XPHQBCSSXDNYEL-MDASCCDHSA-N 0 0 384.476 3.590 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000246251576 890845855 /nfs/dbraw/zinc/84/58/55/890845855.db2.gz VLMDJNRFUCNLPQ-FDFHNCONSA-N 0 0 389.499 3.649 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000246386276 891097969 /nfs/dbraw/zinc/09/79/69/891097969.db2.gz JMPVHIDHAOUZCA-DJIMGWMZSA-N 0 0 385.489 3.684 10 0 GHAERN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1cccnc1-n1cccn1 ZINC000066699303 891127685 /nfs/dbraw/zinc/12/76/85/891127685.db2.gz XJDLMSOOZXGGBR-QGZVFWFLSA-N 0 0 375.476 3.778 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)nnn1-c1ccccc1Cl ZINC000067047725 891140808 /nfs/dbraw/zinc/14/08/08/891140808.db2.gz WQIHLROWPKTRFL-CYBMUJFWSA-N 0 0 387.896 3.705 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(CN2CCCC2=O)c1 ZINC000068262132 891173607 /nfs/dbraw/zinc/17/36/07/891173607.db2.gz JRJLLOMOGBRNFW-HSZRJFAPSA-N 0 0 385.467 3.723 10 0 GHAERN Cc1ccc(NC(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1N1CCOC1=O ZINC000246523499 891283282 /nfs/dbraw/zinc/28/32/82/891283282.db2.gz CJUXPFIVSZQZEI-QWFCFKBJSA-N 0 0 377.444 3.659 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246535686 891284233 /nfs/dbraw/zinc/28/42/33/891284233.db2.gz LCFMSJPJLBVNFF-KBRIMQKVSA-N 0 0 377.872 3.768 10 0 GHAERN C[C@H]1CN(S(=O)(=O)Cc2cccc3cccnc32)C[C@@H](c2ccsc2)O1 ZINC000246535621 891284621 /nfs/dbraw/zinc/28/46/21/891284621.db2.gz PVNZYOWNRLYTKL-KSSFIOAISA-N 0 0 388.514 3.588 10 0 GHAERN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246661549 891296239 /nfs/dbraw/zinc/29/62/39/891296239.db2.gz CXOJKYDKEAXXSF-RCCFBDPRSA-N 0 0 398.463 3.605 10 0 GHAERN Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246701054 891298741 /nfs/dbraw/zinc/29/87/41/891298741.db2.gz XFTRSJSWKAZTAX-UPRAQXHNSA-N 0 0 389.471 3.832 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)cc2)CCO1 ZINC000246816111 891309667 /nfs/dbraw/zinc/30/96/67/891309667.db2.gz WWIADPLKTZEZSS-KGVIQGDOSA-N 0 0 395.503 3.906 10 0 GHAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000247462211 891379405 /nfs/dbraw/zinc/37/94/05/891379405.db2.gz QTTOQHFNNOMXEC-FXCLAUTBSA-N 0 0 394.544 3.512 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)c1nccs1 ZINC000248651673 891451587 /nfs/dbraw/zinc/45/15/87/891451587.db2.gz VBGJJALESNWEFY-XOKHGSTOSA-N 0 0 377.485 3.683 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000248761634 891466555 /nfs/dbraw/zinc/46/65/55/891466555.db2.gz GPCCIEHMQPORGM-AYBZRNKSSA-N 0 0 382.485 3.526 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000249143686 891499987 /nfs/dbraw/zinc/49/99/87/891499987.db2.gz FZHCXBQMVXXXQR-RDGPPVDQSA-N 0 0 386.517 3.561 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000249460554 891507453 /nfs/dbraw/zinc/50/74/53/891507453.db2.gz ORMSMBDBFGQDDE-LZWOXQAQSA-N 0 0 379.526 3.808 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1 ZINC000102538399 898013474 /nfs/dbraw/zinc/01/34/74/898013474.db2.gz AQVOAAWHQODEBT-UHFFFAOYSA-N 0 0 395.503 3.958 10 0 GHAERN CN(CC1CCN(C(=O)c2cccc3ncccc32)CC1)C(=O)OC(C)(C)C ZINC000103457193 898093779 /nfs/dbraw/zinc/09/37/79/898093779.db2.gz NISBCSSODCNACA-UHFFFAOYSA-N 0 0 383.492 3.954 10 0 GHAERN Cn1cc(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)ccc1=O ZINC000104770562 898162110 /nfs/dbraw/zinc/16/21/10/898162110.db2.gz SHERKTNTPDFYNF-MRXNPFEDSA-N 0 0 398.463 3.847 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)C12CCCC2 ZINC000333093373 899953558 /nfs/dbraw/zinc/95/35/58/899953558.db2.gz ZZUPJRPKCZPBBQ-FGTMMUONSA-N 0 0 396.597 3.810 10 0 GHAERN COC1([C@H](C)NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCOCC1 ZINC000333126992 899984104 /nfs/dbraw/zinc/98/41/04/899984104.db2.gz AIURUEDQFQYXBS-WMZOPIPTSA-N 0 0 388.508 3.706 10 0 GHAERN CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@H]3CCCc4ccccc43)c2)C1=O ZINC000333234224 900054878 /nfs/dbraw/zinc/05/48/78/900054878.db2.gz VEAGIWFYJBCYEY-SFHVURJKSA-N 0 0 392.459 3.721 10 0 GHAERN CN(C)c1cc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)ncc1Br ZINC000333651033 902247471 /nfs/dbraw/zinc/24/74/71/902247471.db2.gz KLGRYWLVFLITEO-GFCCVEGCSA-N 0 0 397.317 3.523 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000174945137 905397951 /nfs/dbraw/zinc/39/79/51/905397951.db2.gz SBSSSJGIMJLQAU-LLVKDONJSA-N 0 0 393.846 3.505 10 0 GHAERN O=C(Nc1cccc(COCc2ccco2)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183071762 907322402 /nfs/dbraw/zinc/32/24/02/907322402.db2.gz WEXJGPMJGOPENQ-SFHVURJKSA-N 0 0 381.436 3.874 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)N3CCCC[C@H]3c3nc[nH]n3)cc2)n1 ZINC000183078716 907324445 /nfs/dbraw/zinc/32/44/45/907324445.db2.gz ZJKSBGGULDMPJA-HNNXBMFYSA-N 0 0 381.440 3.737 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000186758110 907980573 /nfs/dbraw/zinc/98/05/73/907980573.db2.gz KVYNMPTZXHJVHX-LBPRGKRZSA-N 0 0 384.665 3.980 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(C(=O)OCC(C)C)CC2)cs1 ZINC000187120594 908041706 /nfs/dbraw/zinc/04/17/06/908041706.db2.gz CPRBAKDKGXIZKN-KRWDZBQOSA-N 0 0 379.526 3.620 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cs1 ZINC000189131831 908287701 /nfs/dbraw/zinc/28/77/01/908287701.db2.gz VYTKGBLVYMXAEF-INIZCTEOSA-N 0 0 397.497 3.504 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2csc3ccccc23)C1 ZINC000190042470 908411346 /nfs/dbraw/zinc/41/13/46/908411346.db2.gz VIKHRJUKIOFQAV-NVXWUHKLSA-N 0 0 385.489 3.904 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000190049204 908412907 /nfs/dbraw/zinc/41/29/07/908412907.db2.gz RHTPKHVAHXGDQW-JSGCOSHPSA-N 0 0 375.812 3.688 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(-c3ccccn3)ccc2Cl)C1 ZINC000190069128 908419204 /nfs/dbraw/zinc/41/92/04/908419204.db2.gz GTXALGBSAOZCSV-KSSFIOAISA-N 0 0 398.850 3.696 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)C1 ZINC000190132110 908434349 /nfs/dbraw/zinc/43/43/49/908434349.db2.gz HUJYUSSGAVGZEW-TZMCWYRMSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)cc2Cl)C1 ZINC000190141074 908437140 /nfs/dbraw/zinc/43/71/40/908437140.db2.gz ZYJZYKKSYDICBD-CJNGLKHVSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2ccc(C)s2)C1 ZINC000190141260 908437283 /nfs/dbraw/zinc/43/72/83/908437283.db2.gz PSSLCKDJAOQGNA-HIFRSBDPSA-N 0 0 399.476 3.804 10 0 GHAERN COc1cccc(CCC(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)c1 ZINC000103816079 911185236 /nfs/dbraw/zinc/18/52/36/911185236.db2.gz KEYZQJAHPYEVEI-IBGZPJMESA-N 0 0 398.503 3.595 10 0 GHAERN CC(=O)N(C)CC(=O)O[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000103838252 911634105 /nfs/dbraw/zinc/63/41/05/911634105.db2.gz SSKPBKSEMYXIFJ-SFHVURJKSA-N 0 0 376.250 3.560 10 0 GHAERN Cc1sc(-c2ccco2)nc1C(=O)N1CCC2(C[C@H]2C(=O)N(C)C2CC2)CC1 ZINC000367633249 922241446 /nfs/dbraw/zinc/24/14/46/922241446.db2.gz UXCFTHOISGTPFT-HNNXBMFYSA-N 0 0 399.516 3.575 10 0 GHAERN O=C(c1csc(I)c1)N1CCC[C@H]1c1nccs1 ZINC000372127995 925176756 /nfs/dbraw/zinc/17/67/56/925176756.db2.gz IJYRRYXTBXWAHB-VIFPVBQESA-N 0 0 390.271 3.787 10 0 GHAERN Cc1ccc(NC(=O)N2CCCN(c3ccccn3)CC2)c(Br)c1 ZINC000184028389 1014571603 /nfs/dbraw/zinc/57/16/03/1014571603.db2.gz IJMNLVXTDJPQFO-UHFFFAOYSA-N 0 0 389.297 3.897 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3ccc(F)cc32)c2ccc(F)cc2C1 ZINC000185251895 1014577198 /nfs/dbraw/zinc/57/71/98/1014577198.db2.gz CRNYHYFKBPIJBH-LJQANCHMSA-N 0 0 385.414 3.530 10 0 GHAERN CCO[C@@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185527492 1014585235 /nfs/dbraw/zinc/58/52/35/1014585235.db2.gz KULRPNCXGQSCOR-NHCUHLMSSA-N 0 0 384.451 3.513 10 0 GHAERN CC(=O)c1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185531314 1014585261 /nfs/dbraw/zinc/58/52/61/1014585261.db2.gz SDKCYUFKYMNDAV-FQEVSTJZSA-N 0 0 383.423 3.643 10 0 GHAERN Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3C(=O)CCCC[C@H]32)cc1 ZINC000504309306 231310438 /nfs/dbraw/zinc/31/04/38/231310438.db2.gz KCTOZJBUOMNNBJ-SJBKTWHCSA-N 0 0 383.513 3.911 10 0 GHAERN C[C@H](C(=O)OC(C)(C)Cc1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O ZINC000504746115 231345408 /nfs/dbraw/zinc/34/54/08/231345408.db2.gz VDEDTMYMRNHWAV-CYBMUJFWSA-N 0 0 385.847 3.889 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000015920591 210180190 /nfs/dbraw/zinc/18/01/90/210180190.db2.gz DQYNCKBSGKRVOV-NRFANRHFSA-N 0 0 377.444 3.667 10 0 GHAERN CC[C@@H](C)NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000015821951 210171313 /nfs/dbraw/zinc/17/13/13/210171313.db2.gz BYXKHAZRFGMOAY-OAHLLOKOSA-N 0 0 383.471 3.647 10 0 GHAERN CCc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c1 ZINC000015730475 210164939 /nfs/dbraw/zinc/16/49/39/210164939.db2.gz GMNFNRVEMMQQHC-LBPRGKRZSA-N 0 0 376.503 3.873 10 0 GHAERN O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505593 209490599 /nfs/dbraw/zinc/49/05/99/209490599.db2.gz RHNMEQSEAQKLCB-UHFFFAOYSA-N 0 0 385.847 3.745 10 0 GHAERN CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000001929654 209342283 /nfs/dbraw/zinc/34/22/83/209342283.db2.gz SCUWXYBPMNUNQU-MDZDMXLPSA-N 0 0 399.443 3.931 10 0 GHAERN O=P(Nc1ncc(Cl)cn1)(Nc1ncc(Cl)cn1)c1ccccc1 ZINC000001686958 209337154 /nfs/dbraw/zinc/33/71/54/209337154.db2.gz WYVYAVCSIZYGBK-UHFFFAOYSA-N 0 0 381.163 3.616 10 0 GHAERN C[C@@H]1Oc2nc(C(F)(F)F)nc(N)c2N=C1c1ccc(Br)cc1 ZINC000261508707 209224573 /nfs/dbraw/zinc/22/45/73/209224573.db2.gz WBEPYXCIVWVBAA-LURJTMIESA-N 0 0 387.159 3.742 10 0 GHAERN COc1cc(C(=O)NCC[C@@H](O)c2cccc3ccccc32)cc(OC)c1OC ZINC000077117210 212059154 /nfs/dbraw/zinc/05/91/54/212059154.db2.gz GDYKBSXDSIJLAJ-LJQANCHMSA-N 0 0 395.455 3.719 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1)C1CCC1 ZINC000096277851 211329323 /nfs/dbraw/zinc/32/93/23/211329323.db2.gz OINJMRCBELPPHM-QGZVFWFLSA-N 0 0 391.427 3.665 10 0 GHAERN CCOC(=O)C(C(=O)OCC)[C@H](CC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000095932807 211284715 /nfs/dbraw/zinc/28/47/15/211284715.db2.gz JDAIVLFIGNHSJE-LJQANCHMSA-N 0 0 398.455 3.794 10 0 GHAERN C[C@@H](CC(=O)OCC1c2ccccc2-c2ccccc21)C[C@@H]([NH3+])CCC(=O)[O-] ZINC000095496375 211250732 /nfs/dbraw/zinc/25/07/32/211250732.db2.gz LYSYCJYHXQLCNW-CVEARBPZSA-N 0 0 381.472 3.951 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H](C[S@@](=O)Cc2cnc(Cl)s2)C1 ZINC000095085659 211218434 /nfs/dbraw/zinc/21/84/34/211218434.db2.gz OGJOCMWFKCLPBY-BGJPBQGDSA-N 0 0 378.947 3.692 10 0 GHAERN COC(=O)[C@@H](Cc1cccc(Br)c1)CN(C)C(=O)OC(C)(C)C ZINC000091692610 211202797 /nfs/dbraw/zinc/20/27/97/211202797.db2.gz IJWXELFRIQENIW-ZDUSSCGKSA-N 0 0 386.286 3.648 10 0 GHAERN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNc1ncnc2ccsc21 ZINC000071748017 211053575 /nfs/dbraw/zinc/05/35/75/211053575.db2.gz SEJZKUIFOCRLQQ-UHFFFAOYSA-N 0 0 395.488 3.605 10 0 GHAERN O=C(OCc1ccccc1)N1CCC[C@@H](c2nnc(Br)s2)C1 ZINC000066054651 211000022 /nfs/dbraw/zinc/00/00/22/211000022.db2.gz LVBUADBLVOECRC-GFCCVEGCSA-N 0 0 382.283 3.817 10 0 GHAERN Cc1ccccc1C(=O)N[C@@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209632 210975692 /nfs/dbraw/zinc/97/56/92/210975692.db2.gz DSIRSCJXUNLZJW-LJQANCHMSA-N 0 0 376.460 3.888 10 0 GHAERN CC(=O)c1sc(NC(=O)COc2ccc(C)cc2Br)nc1C ZINC000040870657 210797002 /nfs/dbraw/zinc/79/70/02/210797002.db2.gz XQOHKJUBPPVKAQ-UHFFFAOYSA-N 0 0 383.267 3.743 10 0 GHAERN COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)N(C(C)=O)CC2 ZINC000026161657 210492083 /nfs/dbraw/zinc/49/20/83/210492083.db2.gz XPDWWJKPJXJARO-IBGZPJMESA-N 0 0 390.277 3.960 10 0 GHAERN Cc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2-n2cccc2)cc1 ZINC000021658248 210387711 /nfs/dbraw/zinc/38/77/11/210387711.db2.gz QWOVHGOTZLBINA-UHFFFAOYSA-N 0 0 391.862 3.950 10 0 GHAERN CC[C@@H]1Cn2cc(C(=O)NCc3ccc(C)cc3)c(=O)c3c(C)ccc(c32)O1 ZINC000020926656 210368703 /nfs/dbraw/zinc/36/87/03/210368703.db2.gz CTMPPQIZXAHCTF-QGZVFWFLSA-N 0 0 376.456 3.719 10 0 GHAERN C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](CC(=O)Nc1sc3c(c1C(=O)[O-])CCC3)C2 ZINC000020342496 210329071 /nfs/dbraw/zinc/32/90/71/210329071.db2.gz CFXXCEDZUGUGKD-MPBGBICISA-N 0 0 376.522 3.774 10 0 GHAERN COc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc(OC)c1 ZINC000020319792 210327728 /nfs/dbraw/zinc/32/77/28/210327728.db2.gz VTAHZRINGQXUNH-LJQANCHMSA-N 0 0 381.457 3.927 10 0 GHAERN COCc1nnc(SCC(=O)Nc2cccc(F)c2C)n1-c1ccccc1 ZINC000020426470 210334614 /nfs/dbraw/zinc/33/46/14/210334614.db2.gz BYHMMSUNJXYBLZ-UHFFFAOYSA-N 0 0 386.452 3.592 10 0 GHAERN Nc1nnc(CNC(=O)c2ccccc2SCc2ccccc2Cl)s1 ZINC000020202421 210322374 /nfs/dbraw/zinc/32/23/74/210322374.db2.gz BVFBTBRFYDKNLM-UHFFFAOYSA-N 0 0 390.921 3.996 10 0 GHAERN Cc1nc(N2CCC(C(=O)NCc3ccc(F)c(F)c3)CC2)nc2ccccc12 ZINC000012185356 221163962 /nfs/dbraw/zinc/16/39/62/221163962.db2.gz PESUPOGEJBNLND-UHFFFAOYSA-N 0 0 396.441 3.749 10 0 GHAERN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCc1cccc(F)c1 ZINC000065245235 136161444 /nfs/dbraw/zinc/16/14/44/136161444.db2.gz AZQWQJWUPOOFCW-MRXNPFEDSA-N 0 0 397.498 3.503 10 0 GHAERN CCCn1cc(S(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(F)cc21 ZINC000085346490 521654479 /nfs/dbraw/zinc/65/44/79/521654479.db2.gz QYVOXORQIAWBLQ-UHFFFAOYSA-N 0 0 377.412 3.831 10 0 GHAERN COc1cccc(-c2cc(=O)[nH]c(NCc3ccc(Br)cc3)n2)c1 ZINC000057341447 525699445 /nfs/dbraw/zinc/69/94/45/525699445.db2.gz XAZNXUIWILQBJU-UHFFFAOYSA-N 0 0 386.249 3.820 10 0 GHAERN Cc1cccc(-n2cnc(C(=O)NCCc3ccc(Cl)cc3Cl)n2)c1 ZINC000034910745 570340755 /nfs/dbraw/zinc/34/07/55/570340755.db2.gz MRLYQGGSBRUIST-UHFFFAOYSA-N 0 0 375.259 3.855 10 0 GHAERN COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCCC[C@H]2C)cc1 ZINC000064759091 570536060 /nfs/dbraw/zinc/53/60/60/570536060.db2.gz BKBNLBSCLBOLRD-MRXNPFEDSA-N 0 0 393.491 3.608 10 0 GHAERN O=c1/c(=C/c2c(F)cccc2Cl)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000034966979 570548720 /nfs/dbraw/zinc/54/87/20/570548720.db2.gz FZRWWVCBQCJDKL-ZSOIEALJSA-N 0 0 392.242 3.812 10 0 GHAERN CCN(C)C(=O)[C@@H]1CN(C(=O)CC(C)C)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036042320 570559708 /nfs/dbraw/zinc/55/97/08/570559708.db2.gz VNHUWEWBAMGRHP-DLBZAZTESA-N 0 0 384.442 3.772 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CC[C@@H](C)C[C@H]23)cc1OC ZINC000006738621 570560209 /nfs/dbraw/zinc/56/02/09/570560209.db2.gz CUYNIOKCFPJHJQ-CFCCAZDESA-N 0 0 394.471 3.680 10 0 GHAERN O=C(COc1ccc(Cl)cc1)NCCn1c2ccccc2nc1C(F)(F)F ZINC000064887957 570577961 /nfs/dbraw/zinc/57/79/61/570577961.db2.gz QFVNJZQPGUELIV-UHFFFAOYSA-N 0 0 397.784 3.904 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1ccnc(C3CC3)n1)CC2 ZINC000275820890 570699794 /nfs/dbraw/zinc/69/97/94/570699794.db2.gz UTYVNBUUHVCHTD-SFHVURJKSA-N 0 0 382.533 3.823 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1cccnc1)CC2 ZINC000275809797 570699882 /nfs/dbraw/zinc/69/98/82/570699882.db2.gz UCPTYBPEBQEHOO-SFHVURJKSA-N 0 0 384.505 3.578 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)NC4CC4)cc3)C2)s1 ZINC000065179319 570721655 /nfs/dbraw/zinc/72/16/55/570721655.db2.gz GIMVEDWMYVCDIT-MRXNPFEDSA-N 0 0 398.528 3.880 10 0 GHAERN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cc(F)c(F)cc3F)C2)n1 ZINC000105048265 837511702 /nfs/dbraw/zinc/51/17/02/837511702.db2.gz NHFOECBQZJFHDY-LBPRGKRZSA-N 0 0 392.381 3.690 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1nccs1 ZINC000105995351 837673824 /nfs/dbraw/zinc/67/38/24/837673824.db2.gz AZOAHBXUVMFRJW-YGRLFVJLSA-N 0 0 398.315 3.932 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000156877047 834615207 /nfs/dbraw/zinc/61/52/07/834615207.db2.gz UHPKVUHVHNFNEI-UHFFFAOYSA-N 0 0 383.496 3.501 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067061529 834706777 /nfs/dbraw/zinc/70/67/77/834706777.db2.gz HHTLDNFQQGOTML-MSOLQXFVSA-N 0 0 380.444 3.828 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000186871614 834777445 /nfs/dbraw/zinc/77/74/45/834777445.db2.gz FZFVCZNEVKFFKJ-LJQANCHMSA-N 0 0 395.551 3.674 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1c(Cl)cccc1Cl)C2 ZINC000113299378 837812968 /nfs/dbraw/zinc/81/29/68/837812968.db2.gz OUENINWAIIPBEE-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN CCc1ccc(/C=C/C(=O)N[C@H](c2nccn2C)c2cc(OC)cc(OC)c2)o1 ZINC000157575970 834983343 /nfs/dbraw/zinc/98/33/43/834983343.db2.gz BBSHDEQMWATVLO-SHBDEGQCSA-N 0 0 395.459 3.512 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000246864733 835068532 /nfs/dbraw/zinc/06/85/32/835068532.db2.gz SNPFDJILBNYSFD-MUJYYYPQSA-N 0 0 393.915 3.610 10 0 GHAERN CC1(C)CCc2ccccc2[C@H](NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000333099352 844021545 /nfs/dbraw/zinc/02/15/45/844021545.db2.gz PQUZRGNVLKDMPW-GOSISDBHSA-N 0 0 392.565 3.699 10 0 GHAERN Cc1oc(-c2ccccc2)nc1CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157937023 835162422 /nfs/dbraw/zinc/16/24/22/835162422.db2.gz ZVIBUWJVINGROM-UHFFFAOYSA-N 0 0 390.487 3.681 10 0 GHAERN Brc1ccc2oc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cc2c1 ZINC000329592597 835314820 /nfs/dbraw/zinc/31/48/20/835314820.db2.gz BZUMTRFTOSKKFU-SWLSCSKDSA-N 0 0 390.237 3.781 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC(n2ccnc2)CC1 ZINC000158538494 835427760 /nfs/dbraw/zinc/42/77/60/835427760.db2.gz HIQJGKCKOSSPFN-UHFFFAOYSA-N 0 0 384.871 3.650 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3nnc(-c4ccc(Br)o4)o3)CCO2)o1 ZINC000158613847 835464308 /nfs/dbraw/zinc/46/43/08/835464308.db2.gz SYBLLFZDHJKNID-ZDUSSCGKSA-N 0 0 394.225 3.567 10 0 GHAERN O=C(c1ccccc1CSc1nc[nH]n1)N1CCC[C@H](c2nccs2)C1 ZINC000158642651 835477749 /nfs/dbraw/zinc/47/77/49/835477749.db2.gz RMZRYDUROBQAJL-ZDUSSCGKSA-N 0 0 385.518 3.573 10 0 GHAERN CCOC(=O)c1cc2cc(NC(=O)N3CCC(n4cncn4)CC3)ccc2s1 ZINC000101745281 835544019 /nfs/dbraw/zinc/54/40/19/835544019.db2.gz VHFIUGYPJHTDLB-UHFFFAOYSA-N 0 0 399.476 3.539 10 0 GHAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329684648 835678001 /nfs/dbraw/zinc/67/80/01/835678001.db2.gz YDRUCVSMXZAUHP-NSHDSACASA-N 0 0 390.365 3.702 10 0 GHAERN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000187804799 835696916 /nfs/dbraw/zinc/69/69/16/835696916.db2.gz KOXMDVLLMGLDTJ-SUMWQHHRSA-N 0 0 389.801 3.716 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc(OC(C)C)c2)C[C@H]1C ZINC000187872529 835737542 /nfs/dbraw/zinc/73/75/42/835737542.db2.gz YXNQONWEEYLIDD-MLGOLLRUSA-N 0 0 398.297 3.508 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCS(=O)(=O)CC[C@@H]1C ZINC000588593472 835877488 /nfs/dbraw/zinc/87/74/88/835877488.db2.gz PIPIFHDUTZZBSJ-SNGWPZLWSA-N 0 0 389.517 3.824 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000588593645 835887248 /nfs/dbraw/zinc/88/72/48/835887248.db2.gz OJDOKYHKJBCTCI-SNGWPZLWSA-N 0 0 389.517 3.682 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)C2)cc1 ZINC000246983421 835958248 /nfs/dbraw/zinc/95/82/48/835958248.db2.gz PZMPMWVLHDCZRQ-PWRODBHTSA-N 0 0 396.531 3.598 10 0 GHAERN CN1c2ccc(Br)cc2N(C(=O)[C@@H]2CCCC(=O)N2)CC1(C)C ZINC000329920663 836060877 /nfs/dbraw/zinc/06/08/77/836060877.db2.gz HARQOUQKZSEKMG-LBPRGKRZSA-N 0 0 380.286 3.520 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)c2ccccc21 ZINC000332796802 836640916 /nfs/dbraw/zinc/64/09/16/836640916.db2.gz RFEMSQCJPYOBHG-NIKGAXFTSA-N 0 0 395.507 3.584 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)NC(=O)CC3CCCCC3)C2)sc1C ZINC000332880179 836857021 /nfs/dbraw/zinc/85/70/21/836857021.db2.gz CIGXMUDNIZIWIR-QAPCUYQASA-N 0 0 391.581 3.941 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000408420292 844236411 /nfs/dbraw/zinc/23/64/11/844236411.db2.gz UPWDOIDHAZBJNJ-CQOUMUIBSA-N 0 0 377.641 3.931 10 0 GHAERN COCCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000103179994 837273272 /nfs/dbraw/zinc/27/32/72/837273272.db2.gz IQJJTAZAMCFEQS-QFIPXVFZSA-N 0 0 391.471 3.696 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)N2CC[C@@H](Nc3ccccc3)C2)n1 ZINC000103953031 837370707 /nfs/dbraw/zinc/37/07/07/837370707.db2.gz KPGDRWYZESCXGW-QGZVFWFLSA-N 0 0 394.500 3.997 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]1 ZINC000407978772 838365359 /nfs/dbraw/zinc/36/53/59/838365359.db2.gz GLCIWRHAVXFYSR-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)[nH]1 ZINC000407979507 838369205 /nfs/dbraw/zinc/36/92/05/838369205.db2.gz AYTCNEVLWAUGBY-CYBMUJFWSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1nc2cc(Cl)c(NC(=O)N[C@@H]3CCC(=O)NC34CCC4)cc2s1 ZINC000407985299 838397732 /nfs/dbraw/zinc/39/77/32/838397732.db2.gz MZUKGEIZDJTKLG-CQSZACIVSA-N 0 0 378.885 3.581 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCC[C@@H](c4nnc[nH]4)C3)sc2C1 ZINC000408426170 844329740 /nfs/dbraw/zinc/32/97/40/844329740.db2.gz RDMISXCBAHUBGJ-OLZOCXBDSA-N 0 0 388.541 3.824 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246394564 838465734 /nfs/dbraw/zinc/46/57/34/838465734.db2.gz JBLLLABWEGPENJ-DAYGRLMNSA-N 0 0 386.446 3.750 10 0 GHAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000408028983 838697880 /nfs/dbraw/zinc/69/78/80/838697880.db2.gz VOPPCIDBRZXOJG-KRWDZBQOSA-N 0 0 393.940 3.787 10 0 GHAERN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330192983 838901265 /nfs/dbraw/zinc/90/12/65/838901265.db2.gz AEBGAOLQYAGXQF-SGTLLEGYSA-N 0 0 394.928 3.961 10 0 GHAERN O=C(c1cccc2cn[nH]c21)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330074575 839190148 /nfs/dbraw/zinc/19/01/48/839190148.db2.gz LGPAFOCCEZDAGF-UZUQRXQVSA-N 0 0 399.454 3.807 10 0 GHAERN O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408039732 839225349 /nfs/dbraw/zinc/22/53/49/839225349.db2.gz XVIREBLWCFMNLR-MEDUHNTESA-N 0 0 389.858 3.576 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC3(c4ccccc4)CCCC3)C2)n1 ZINC000117028631 839542255 /nfs/dbraw/zinc/54/22/55/839542255.db2.gz BAQQMQZHEDMXEQ-FQEVSTJZSA-N 0 0 395.551 3.829 10 0 GHAERN C[C@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000588383508 839879326 /nfs/dbraw/zinc/87/93/26/839879326.db2.gz VKELKWQGAXBASH-IRXDYDNUSA-N 0 0 389.503 3.627 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000010912486 840248006 /nfs/dbraw/zinc/24/80/06/840248006.db2.gz KUUZIYHPGJQLQE-UHFFFAOYSA-N 0 0 393.418 3.944 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000332763538 844534422 /nfs/dbraw/zinc/53/44/22/844534422.db2.gz YOMXDHIPGONORN-VUCTXSBTSA-N 0 0 386.414 3.650 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccccc3OC3CCCCC3)CCO2)n1 ZINC000119933679 840458061 /nfs/dbraw/zinc/45/80/61/840458061.db2.gz RBLOMWSIVORRMO-HXUWFJFHSA-N 0 0 397.519 3.753 10 0 GHAERN Cc1cc(C)n(Cc2cccc(-c3noc(C[C@H]4C(=O)Nc5ccccc54)n3)c2)n1 ZINC000109586699 840461893 /nfs/dbraw/zinc/46/18/93/840461893.db2.gz URWKQOPRCZISHJ-LJQANCHMSA-N 0 0 399.454 3.877 10 0 GHAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)c1 ZINC000106224240 840805648 /nfs/dbraw/zinc/80/56/48/840805648.db2.gz KQPDDNNMHFEHIJ-HNNXBMFYSA-N 0 0 391.313 3.538 10 0 GHAERN O=C(Nc1cc(F)ccc1OC(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189139503 841147471 /nfs/dbraw/zinc/14/74/71/841147471.db2.gz DUBQQZYMOGRSJN-UHFFFAOYSA-N 0 0 386.399 3.992 10 0 GHAERN Cc1nc([C@H](C)NC(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)cs1 ZINC000332914646 844626490 /nfs/dbraw/zinc/62/64/90/844626490.db2.gz QJGPMENJPHLIDY-KWQFWETISA-N 0 0 384.427 3.551 10 0 GHAERN CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000332899163 844632575 /nfs/dbraw/zinc/63/25/75/844632575.db2.gz OATDLGFRFJCQJL-RDJZCZTQSA-N 0 0 385.537 3.534 10 0 GHAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCc2c1cccc2Cl ZINC000120280115 841455404 /nfs/dbraw/zinc/45/54/04/841455404.db2.gz GYGQMDLXYKZBFP-HNNXBMFYSA-N 0 0 375.900 3.593 10 0 GHAERN CC[C@@H](NC(=O)/C=C\c1cc(Br)c(O)c(OC)c1)c1nccs1 ZINC000588416388 841565703 /nfs/dbraw/zinc/56/57/03/841565703.db2.gz DYBUGVYBJNVWOD-QMAVJUDZSA-N 0 0 397.294 3.901 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CCO2)c1 ZINC000329262379 861218166 /nfs/dbraw/zinc/21/81/66/861218166.db2.gz ZKHGXXVTJDAZNZ-SFHVURJKSA-N 0 0 380.492 3.512 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2sc(-c3ccccc3)nc2C)c1 ZINC000588426966 842095878 /nfs/dbraw/zinc/09/58/78/842095878.db2.gz ZHNDQZSGWBRLNX-HJWRWDBZSA-N 0 0 378.457 3.525 10 0 GHAERN CC(C)n1nnnc1-c1ccccc1NC(=O)/C=C\c1cnc2ccccc2n1 ZINC000588428013 842208377 /nfs/dbraw/zinc/20/83/77/842208377.db2.gz AEQBDAKLLDINHG-QXMHVHEDSA-N 0 0 385.431 3.516 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408192604 842246006 /nfs/dbraw/zinc/24/60/06/842246006.db2.gz OEKQGCVOZGJDAA-MFKWGIFDSA-N 0 0 392.927 3.895 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CSCc1ccc(Cl)cc1 ZINC000588433927 842427337 /nfs/dbraw/zinc/42/73/37/842427337.db2.gz MGERITZYPMHZJE-PLNGDYQASA-N 0 0 384.929 3.770 10 0 GHAERN C[C@H]1Sc2ccc(C(=O)N3Cc4ccccc4N(C)C[C@H]3C)cc2NC1=O ZINC000246620196 842429098 /nfs/dbraw/zinc/42/90/98/842429098.db2.gz YTGBQMYVUCRBFD-ZIAGYGMSSA-N 0 0 381.501 3.600 10 0 GHAERN Cc1nc(-c2cccs2)sc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434516 842502993 /nfs/dbraw/zinc/50/29/93/842502993.db2.gz MQGNALJGZHKJRX-WAYWQWQTSA-N 0 0 393.534 3.991 10 0 GHAERN COc1ccc(CCC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1Br ZINC000127789092 842695806 /nfs/dbraw/zinc/69/58/06/842695806.db2.gz DBASZYQQCLZVOQ-HNAYVOBHSA-N 0 0 396.325 3.544 10 0 GHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)c(OCC(F)(F)F)c1 ZINC000163085851 842961288 /nfs/dbraw/zinc/96/12/88/842961288.db2.gz VYIAWCOMRMHWFE-CQSZACIVSA-N 0 0 382.386 3.829 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CCO2)n1 ZINC000329403069 861377551 /nfs/dbraw/zinc/37/75/51/861377551.db2.gz ZOOFMJQGSSCNDF-IBGZPJMESA-N 0 0 394.519 3.820 10 0 GHAERN O=C([C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000329425294 861402934 /nfs/dbraw/zinc/40/29/34/861402934.db2.gz GTCSALWSIXUHHI-ICSRJNTNSA-N 0 0 394.519 3.568 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(Br)cnc1Br ZINC000588453737 843329454 /nfs/dbraw/zinc/32/94/54/843329454.db2.gz MXRIFWMLOAAHAW-PLNGDYQASA-N 0 0 397.070 3.962 10 0 GHAERN COC(=O)c1cc(NC(=O)/C=C\c2ncccc2C)ccc1Br ZINC000588454022 843333503 /nfs/dbraw/zinc/33/35/03/843333503.db2.gz WWWWQECRYZKHSR-FPLPWBNLSA-N 0 0 375.222 3.591 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 ZINC000408226818 843341932 /nfs/dbraw/zinc/34/19/32/843341932.db2.gz SRMYYHIGCPETGC-AWEZNQCLSA-N 0 0 397.500 3.981 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC000112307273 843352149 /nfs/dbraw/zinc/35/21/49/843352149.db2.gz JMXHLCAVZNEPSC-UHFFFAOYSA-N 0 0 384.501 3.525 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2csc(-c3ccccn3)n2)CC1 ZINC000112351915 843353363 /nfs/dbraw/zinc/35/33/63/843353363.db2.gz XFNGSOSOEWBUNR-UHFFFAOYSA-N 0 0 384.530 3.615 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330302236 843610492 /nfs/dbraw/zinc/61/04/92/843610492.db2.gz JKMSGZYJCBSICL-AUUYWEPGSA-N 0 0 388.464 3.641 10 0 GHAERN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000332958557 844840481 /nfs/dbraw/zinc/84/04/81/844840481.db2.gz GRHOPOFEYQTOHD-AWRGBYNESA-N 0 0 392.927 3.548 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@](C)(c2ccccc2)CC1)C1(O)CCOCC1 ZINC000333415541 845165165 /nfs/dbraw/zinc/16/51/65/845165165.db2.gz RVPIJFOYZUOLBH-QFIPXVFZSA-N 0 0 388.552 3.708 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2ccc(F)cc2O1 ZINC000332978205 845236598 /nfs/dbraw/zinc/23/65/98/845236598.db2.gz XVVVRJRHTBXGIA-FNXXIHLHSA-N 0 0 376.472 3.765 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(-c4cc[nH]n4)cc3)CC2)n1 ZINC000151597700 845281942 /nfs/dbraw/zinc/28/19/42/845281942.db2.gz JZZXRVONHHGMAC-UHFFFAOYSA-N 0 0 376.464 3.571 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)C1 ZINC000248947777 845479044 /nfs/dbraw/zinc/47/90/44/845479044.db2.gz JLVYYLXSBHERTJ-GMBSWORKSA-N 0 0 386.496 3.745 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000248960538 845481220 /nfs/dbraw/zinc/48/12/20/845481220.db2.gz MJSJMAPDWHBNIB-UZMCECQYSA-N 0 0 396.274 3.777 10 0 GHAERN O=C(N1CCCC1)N1CCC[C@@H](c2nc(-c3ccc(O)c4ccccc34)no2)C1 ZINC000333008017 845504359 /nfs/dbraw/zinc/50/43/59/845504359.db2.gz ANWXRNGSDWSDEG-OAHLLOKOSA-N 0 0 392.459 3.991 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3N(C)C(=O)c3ccco3)CCO2)o1 ZINC000151734778 845622674 /nfs/dbraw/zinc/62/26/74/845622674.db2.gz CNWAMLROJOEOKH-HXUWFJFHSA-N 0 0 394.427 3.671 10 0 GHAERN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151760367 845665504 /nfs/dbraw/zinc/66/55/04/845665504.db2.gz BYXPPYCCXGWEML-UHFFFAOYSA-N 0 0 392.286 3.557 10 0 GHAERN Cc1c(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)cnn1-c1ccc(Cl)cc1 ZINC000329570692 861689864 /nfs/dbraw/zinc/68/98/64/861689864.db2.gz QKBILZLQNKKEOS-XYPHTWIQSA-N 0 0 384.867 3.934 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)C2)n1 ZINC000329611716 861772199 /nfs/dbraw/zinc/77/21/99/861772199.db2.gz JUYVQFABMINVLW-BZUAXINKSA-N 0 0 385.599 3.669 10 0 GHAERN Cc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1Br ZINC000152571783 847338022 /nfs/dbraw/zinc/33/80/22/847338022.db2.gz CYMKCPIXNNFSPN-UHFFFAOYSA-N 0 0 376.298 3.586 10 0 GHAERN COc1cc(Br)ccc1CNC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588524537 847404406 /nfs/dbraw/zinc/40/44/06/847404406.db2.gz SFCILJADMPYAQH-DJWKRKHSSA-N 0 0 381.657 3.836 10 0 GHAERN O=C(Nc1ccccc1OCC1CC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000152618702 847433515 /nfs/dbraw/zinc/43/35/15/847433515.db2.gz HDISUOVIMQIXJN-UHFFFAOYSA-N 0 0 399.516 3.917 10 0 GHAERN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)/C=C\c1ncccc1C ZINC000588527465 847644223 /nfs/dbraw/zinc/64/42/23/847644223.db2.gz NFEGYCRTPGGDLL-KTKRTIGZSA-N 0 0 392.377 3.624 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625130 861814340 /nfs/dbraw/zinc/81/43/40/861814340.db2.gz OLPHAHLTOHIESH-RTBURBONSA-N 0 0 394.519 3.540 10 0 GHAERN CCn1c(-c2cc3c(s2)CCCCCC3)nnc1N1CCn2ccnc2C1 ZINC000329629497 861821649 /nfs/dbraw/zinc/82/16/49/861821649.db2.gz VCBKTFCAMBGIGE-UHFFFAOYSA-N 0 0 382.537 3.902 10 0 GHAERN CC(=O)N1CCN(Cc2cccc(NC(=O)/C(C)=C\c3ccc(F)cc3)c2)CC1 ZINC000588538894 848014011 /nfs/dbraw/zinc/01/40/11/848014011.db2.gz HTMXXYAMPKQRKO-VKAVYKQESA-N 0 0 395.478 3.532 10 0 GHAERN C[C@H](Cc1ccccc1Br)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152573134 848093004 /nfs/dbraw/zinc/09/30/04/848093004.db2.gz SZPAQCHUDYAMOH-OGWOLHLISA-N 0 0 395.341 3.717 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(N4CCCCC4=O)c3)CCO2)o1 ZINC000153353791 848399262 /nfs/dbraw/zinc/39/92/62/848399262.db2.gz UPIIVEDHNKPNSH-IBGZPJMESA-N 0 0 383.448 3.710 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(Cc3ccccc3)CC(F)F)CC2)n1 ZINC000153683269 848923003 /nfs/dbraw/zinc/92/30/03/848923003.db2.gz SGAFMLSKHUIGPS-UHFFFAOYSA-N 0 0 388.462 3.836 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000153972921 849152705 /nfs/dbraw/zinc/15/27/05/849152705.db2.gz QEOLBYUMWDQHHU-CYBMUJFWSA-N 0 0 376.551 3.610 10 0 GHAERN CC(C)C[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000154028821 849172696 /nfs/dbraw/zinc/17/26/96/849172696.db2.gz ZQIWRZQPEVCRQC-CABCVRRESA-N 0 0 384.517 3.758 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc([C@@H](C)N4CCOCC4)cc3)CCO2)o1 ZINC000154051896 849175439 /nfs/dbraw/zinc/17/54/39/849175439.db2.gz IHDLLVXMTUFISS-UTKZUKDTSA-N 0 0 399.491 3.587 10 0 GHAERN Cc1coc(-c2cccc(NC(=O)c3cccc(N4CCNC4=O)c3C)c2)n1 ZINC000154729946 849356186 /nfs/dbraw/zinc/35/61/86/849356186.db2.gz RIFYDORKQVPONH-UHFFFAOYSA-N 0 0 376.416 3.740 10 0 GHAERN C[C@H]1CN(c2ccccc2F)CCN1C(=O)/C=C\c1cnc2ccccc2n1 ZINC000588569270 849369939 /nfs/dbraw/zinc/36/99/39/849369939.db2.gz MDQUNRQXZVUSCL-SNGWPZLWSA-N 0 0 376.435 3.519 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)ccc1F ZINC000154909286 849404088 /nfs/dbraw/zinc/40/40/88/849404088.db2.gz JWRAMJPZPPSUQJ-RQMBKDMJSA-N 0 0 385.370 3.584 10 0 GHAERN CC(C)c1ccc(OCC(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000044453917 849501177 /nfs/dbraw/zinc/50/11/77/849501177.db2.gz VBMADOSODDMBLT-UHFFFAOYSA-N 0 0 387.505 3.523 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000333685338 850494405 /nfs/dbraw/zinc/49/44/05/850494405.db2.gz PXMZYURKXPJLAY-NRFANRHFSA-N 0 0 391.471 3.816 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2ccnn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333828102 851218100 /nfs/dbraw/zinc/21/81/00/851218100.db2.gz KZGBFJQBTRTRNB-RWMNUFKLSA-N 0 0 386.540 3.544 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1C ZINC000101529742 851638367 /nfs/dbraw/zinc/63/83/67/851638367.db2.gz YSUKPHHLSAEILF-QZTJIDSGSA-N 0 0 397.519 3.593 10 0 GHAERN COc1c(C)cc(CN(C)[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1C ZINC000101566223 851665924 /nfs/dbraw/zinc/66/59/24/851665924.db2.gz UKOZEWDVTVXNPB-INIZCTEOSA-N 0 0 383.492 3.729 10 0 GHAERN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000120935165 851704518 /nfs/dbraw/zinc/70/45/18/851704518.db2.gz KHSKQNMNIACFGM-UHFFFAOYSA-N 0 0 383.279 3.594 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)n1 ZINC000101601557 851721996 /nfs/dbraw/zinc/72/19/96/851721996.db2.gz CGGQUGGPTGJETR-UHFFFAOYSA-N 0 0 391.884 3.751 10 0 GHAERN COc1ccc(CNC(=O)N(C)CCc2ccc(F)cc2)cc1Br ZINC000101624242 851744184 /nfs/dbraw/zinc/74/41/84/851744184.db2.gz RPIYQUTYNCQICY-UHFFFAOYSA-N 0 0 395.272 3.981 10 0 GHAERN Brc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000333867539 851791492 /nfs/dbraw/zinc/79/14/92/851791492.db2.gz TWECFWYBYHINMF-QKPAOTATSA-N 0 0 390.281 3.639 10 0 GHAERN Cc1noc(CCNC(=O)N[C@H](c2cccs2)c2ccc3c(c2)CCCC3)n1 ZINC000101777575 851900342 /nfs/dbraw/zinc/90/03/42/851900342.db2.gz JBAYSQUCGXDEFB-FQEVSTJZSA-N 0 0 396.516 3.950 10 0 GHAERN CCCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)CCCCC1 ZINC000101841955 851951088 /nfs/dbraw/zinc/95/10/88/851951088.db2.gz SLFXUHHQYAHMDN-APWZRJJASA-N 0 0 399.535 3.630 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)CCN(Cc1ccccc1)C(C)=O ZINC000101860921 851960222 /nfs/dbraw/zinc/96/02/22/851960222.db2.gz PETZNVXMHSVTCH-JOCHJYFZSA-N 0 0 394.515 3.668 10 0 GHAERN O=C(NCCCCOCc1ccccc1)NCc1ccccc1-n1ccnc1 ZINC000101995364 852078956 /nfs/dbraw/zinc/07/89/56/852078956.db2.gz KZRAOTAPDFCJEV-UHFFFAOYSA-N 0 0 378.476 3.669 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC3(c4ccc(F)cc4)CCC3)C2)no1 ZINC000171364200 852618964 /nfs/dbraw/zinc/61/89/64/852618964.db2.gz AJVGZYUFGFAWKK-MRXNPFEDSA-N 0 0 386.471 3.603 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3c2cccc3Br)cn1 ZINC000171370337 852625411 /nfs/dbraw/zinc/62/54/11/852625411.db2.gz SWKQOMCJTWKOQX-IRXDYDNUSA-N 0 0 389.297 3.717 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1cccc(F)c1 ZINC000333973653 853294664 /nfs/dbraw/zinc/29/46/64/853294664.db2.gz XRVBKMJTHBDQOY-SUAWZFDYSA-N 0 0 382.483 3.726 10 0 GHAERN O=S(=O)(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1c[nH]c2ncccc12 ZINC000122952738 854263886 /nfs/dbraw/zinc/26/38/86/854263886.db2.gz VHNLSGVOEYHEOL-MRXNPFEDSA-N 0 0 383.473 3.678 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCN[C@@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651847 854489521 /nfs/dbraw/zinc/48/95/21/854489521.db2.gz KARDXZXTPIAUTL-YVEFUNNKSA-N 0 0 385.464 3.695 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000127570265 855024077 /nfs/dbraw/zinc/02/40/77/855024077.db2.gz VHPAKBGEFCAWKW-NWANDNLSSA-N 0 0 379.291 3.627 10 0 GHAERN COC(=O)c1ccc(NCc2nc(-c3ccoc3)no2)c(OCC(F)(F)F)c1 ZINC000105607276 855125210 /nfs/dbraw/zinc/12/52/10/855125210.db2.gz ZQKIDGYQDICYCD-UHFFFAOYSA-N 0 0 397.309 3.669 10 0 GHAERN C[C@@H](C(=O)NCC1CCCCC1)[S@](=O)Cc1csc(Br)c1 ZINC000105692211 855132393 /nfs/dbraw/zinc/13/23/93/855132393.db2.gz PWLOJCNVWRVAFR-MQJDWESPSA-N 0 0 392.384 3.844 10 0 GHAERN O=S(=O)(Cc1cn2cc(Cl)cc(Cl)c2n1)c1ncccc1Cl ZINC000105715432 855135900 /nfs/dbraw/zinc/13/59/00/855135900.db2.gz JNPMHVPRMCIWNN-UHFFFAOYSA-N 0 0 376.652 3.663 10 0 GHAERN CC(C)c1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105712411 855136059 /nfs/dbraw/zinc/13/60/59/855136059.db2.gz KVLBMFJCGZIUBU-QWVSSGJLSA-N 0 0 387.461 3.729 10 0 GHAERN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162624263 855198511 /nfs/dbraw/zinc/19/85/11/855198511.db2.gz VPVVWGKVVBVHCA-QMMMGPOBSA-N 0 0 377.293 3.816 10 0 GHAERN CC(C)[C@H](C(=O)N[C@H]1CCCc2c(O)cccc21)S(=O)(=O)C1CCCCC1 ZINC000190269283 855433074 /nfs/dbraw/zinc/43/30/74/855433074.db2.gz RHSRQGYBOZXMJB-AZUAARDMSA-N 0 0 393.549 3.658 10 0 GHAERN CCOc1cc2c(cc1OCC)CN(Cc1nnc(-c3ccccc3)n1C)CC2 ZINC000103141598 856060908 /nfs/dbraw/zinc/06/09/08/856060908.db2.gz WXRPMAVPRFTVDW-UHFFFAOYSA-N 0 0 392.503 3.838 10 0 GHAERN COc1cc(OC)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1Cl ZINC000165809020 856101258 /nfs/dbraw/zinc/10/12/58/856101258.db2.gz VAVRVRXTWAZYFB-QGZVFWFLSA-N 0 0 380.828 3.864 10 0 GHAERN O=C(CCCc1ccc(Br)s1)NC[C@@H](O)Cc1ccccc1 ZINC000104908901 856445743 /nfs/dbraw/zinc/44/57/43/856445743.db2.gz FMYJKYZNMKCUAS-AWEZNQCLSA-N 0 0 382.323 3.553 10 0 GHAERN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2)s1 ZINC000048534036 856467110 /nfs/dbraw/zinc/46/71/10/856467110.db2.gz IGNCHYXIJTUPCM-UHFFFAOYSA-N 0 0 383.469 3.996 10 0 GHAERN C[C@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1ccc(F)cc1F ZINC000172509577 858035650 /nfs/dbraw/zinc/03/56/50/858035650.db2.gz NOHPKRFZHAQQCD-ZDUSSCGKSA-N 0 0 386.402 3.699 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)C2)no1 ZINC000247361852 858344876 /nfs/dbraw/zinc/34/48/76/858344876.db2.gz MMLPFBVKSZPIKA-SLFFLAALSA-N 0 0 382.508 3.754 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000133891667 858821116 /nfs/dbraw/zinc/82/11/16/858821116.db2.gz QHLSNLMJGSDIDY-BZUAXINKSA-N 0 0 392.425 3.655 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C1(Sc3ccccc3)CCCC1)CC2 ZINC000134069953 858829217 /nfs/dbraw/zinc/82/92/17/858829217.db2.gz WXROUWQKFFJLOD-MRXNPFEDSA-N 0 0 384.549 3.938 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000135312810 859498388 /nfs/dbraw/zinc/49/83/88/859498388.db2.gz IWGFIAQZEQXRCA-GLQYFDAESA-N 0 0 378.398 3.614 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1=O ZINC000162325781 859835147 /nfs/dbraw/zinc/83/51/47/859835147.db2.gz KUWKADICCNAKCN-MISYRCLQSA-N 0 0 384.520 3.594 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@@H]1c1cc3ccccc3[nH]1)CC2 ZINC000114978237 860035922 /nfs/dbraw/zinc/03/59/22/860035922.db2.gz MERMVVOPVFYMJN-QFBILLFUSA-N 0 0 392.507 3.573 10 0 GHAERN O=C(CCn1ccc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024143535 860314600 /nfs/dbraw/zinc/31/46/00/860314600.db2.gz ZIRFBHKHKBMXLI-UHFFFAOYSA-N 0 0 381.520 3.673 10 0 GHAERN O=C(Cc1ccccc1)NCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024384562 860323032 /nfs/dbraw/zinc/32/30/32/860323032.db2.gz YCPDTJXTSCJHIS-SFHVURJKSA-N 0 0 393.512 3.709 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3ccc4nc(C5CC5)sc4c3)CCO2)c1 ZINC000171912360 860429901 /nfs/dbraw/zinc/42/99/01/860429901.db2.gz ZTZKCCACLFOMIO-MRXNPFEDSA-N 0 0 397.504 3.612 10 0 GHAERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000173909461 860444366 /nfs/dbraw/zinc/44/43/66/860444366.db2.gz AJCBCTAUEGEMAS-FXAWDEMLSA-N 0 0 385.508 3.554 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000102897828 860618337 /nfs/dbraw/zinc/61/83/37/860618337.db2.gz GDWRUPUAPATKLC-HNNXBMFYSA-N 0 0 391.265 3.887 10 0 GHAERN Cc1ccc(NC(=O)NCCCNC(=O)OC(C)(C)C)c(Br)c1 ZINC000103566568 881562568 /nfs/dbraw/zinc/56/25/68/881562568.db2.gz MMYPHQYRTSLYPL-UHFFFAOYSA-N 0 0 386.290 3.794 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3ccc(OC)c(F)c3)o2)cc1 ZINC000102946563 860913259 /nfs/dbraw/zinc/91/32/59/860913259.db2.gz HLOOJTUWRFFLKA-AREMUKBSSA-N 0 0 375.421 3.947 10 0 GHAERN CC1(C)CCCN1C(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000102959444 860919814 /nfs/dbraw/zinc/91/98/14/860919814.db2.gz ITBCYZNTEYIUMZ-AWEZNQCLSA-N 0 0 380.330 3.859 10 0 GHAERN Cc1cnn(CC2CCN(Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)c1 ZINC000329105785 861022653 /nfs/dbraw/zinc/02/26/53/861022653.db2.gz DCXIEEURYMCWQV-UHFFFAOYSA-N 0 0 396.564 3.569 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@H](O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000329137819 861057140 /nfs/dbraw/zinc/05/71/40/861057140.db2.gz HTGIBKYXGXBMBO-AUUYWEPGSA-N 0 0 390.405 3.927 10 0 GHAERN O=C([C@@H]1CCCN1c1nccs1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000329220986 861161686 /nfs/dbraw/zinc/16/16/86/861161686.db2.gz BRPDHBJBQMTZJT-ROUUACIJSA-N 0 0 396.516 3.736 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1cccc(C=O)c1)c1ccccn1 ZINC000159910606 863143988 /nfs/dbraw/zinc/14/39/88/863143988.db2.gz LUOSWBYCSMGTSP-OPAMFIHVSA-N 0 0 390.439 3.576 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCC(C(=O)N[C@H](C)C(C)C)CC3)c21 ZINC000103317567 863956461 /nfs/dbraw/zinc/95/64/61/863956461.db2.gz IYDPWMVTZHJJQH-QGZVFWFLSA-N 0 0 398.551 3.601 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000103507730 864043022 /nfs/dbraw/zinc/04/30/22/864043022.db2.gz WIWOKFJQGNGCNW-FQEVSTJZSA-N 0 0 396.878 3.809 10 0 GHAERN CCSc1ccc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103793275 864057202 /nfs/dbraw/zinc/05/72/02/864057202.db2.gz ISZVFNVCJKDSAI-LBPRGKRZSA-N 0 0 387.896 3.919 10 0 GHAERN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140492359 864062182 /nfs/dbraw/zinc/06/21/82/864062182.db2.gz PYRISFJXTFDOIK-CBGDNZLLSA-N 0 0 391.581 3.824 10 0 GHAERN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103777672 864090971 /nfs/dbraw/zinc/09/09/71/864090971.db2.gz XVFMTWPXGYEJKM-UHFFFAOYSA-N 0 0 385.708 3.726 10 0 GHAERN CCCC(=O)Nc1cccc(CNC(=O)N(C)CCc2ccccc2OC)c1 ZINC000103860036 864099898 /nfs/dbraw/zinc/09/98/98/864099898.db2.gz KCTBMMVPFDIZED-UHFFFAOYSA-N 0 0 383.492 3.818 10 0 GHAERN C[C@@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000103864134 864101771 /nfs/dbraw/zinc/10/17/71/864101771.db2.gz CLPSOKCLGHQVPL-PBHICJAKSA-N 0 0 396.409 3.592 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(N2CCNC2=O)cc1 ZINC000151741529 864113405 /nfs/dbraw/zinc/11/34/05/864113405.db2.gz LDSWCWIVEOGGOS-LJQANCHMSA-N 0 0 391.471 3.783 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(-n4cccc4)c(F)c3)cc2)n1 ZINC000104325869 864263183 /nfs/dbraw/zinc/26/31/83/864263183.db2.gz MPIGMVRTJWLZCI-UHFFFAOYSA-N 0 0 388.402 3.927 10 0 GHAERN CC(C)Cn1cnnc1[C@@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000301390454 865331706 /nfs/dbraw/zinc/33/17/06/865331706.db2.gz ZBGKFHUCEFZVAA-IBGZPJMESA-N 0 0 389.507 3.616 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000301763851 865528240 /nfs/dbraw/zinc/52/82/40/865528240.db2.gz MYFCFEUFDNNHBJ-NQIIRXRSSA-N 0 0 399.498 3.980 10 0 GHAERN Cc1ccc(CN(C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)C2CC2)cc1C ZINC000155362561 865739418 /nfs/dbraw/zinc/73/94/18/865739418.db2.gz FBIMHSWMJNCZDJ-SFHVURJKSA-N 0 0 381.524 3.707 10 0 GHAERN CC1CCN(C(=O)c2ccc(N3CCC(c4noc(C5CC5)n4)CC3)nc2)CC1 ZINC000302191165 865758549 /nfs/dbraw/zinc/75/85/49/865758549.db2.gz YVCUZQJJOQGBJK-UHFFFAOYSA-N 0 0 395.507 3.598 10 0 GHAERN CC(=O)N1CC[C@H](Nc2ccc(Br)cn2)c2ccc(F)cc2C1 ZINC000302195408 865761303 /nfs/dbraw/zinc/76/13/03/865761303.db2.gz OJDMVMDEZJMAJU-INIZCTEOSA-N 0 0 378.245 3.889 10 0 GHAERN CC(=O)N1CC[C@H](Nc2ncnc3c2cnn3C(C)(C)C)c2ccc(F)cc2C1 ZINC000302207639 865766639 /nfs/dbraw/zinc/76/66/39/865766639.db2.gz XHJJWRGMFQFLCN-SFHVURJKSA-N 0 0 396.470 3.626 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000109674027 866600826 /nfs/dbraw/zinc/60/08/26/866600826.db2.gz YOMQWEBSUUJZMS-VQTJNVASSA-N 0 0 383.492 3.572 10 0 GHAERN Cc1noc(CCNC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)n1 ZINC000102035098 866611439 /nfs/dbraw/zinc/61/14/39/866611439.db2.gz RDBJGJVWCZKPHY-UHFFFAOYSA-N 0 0 394.435 3.695 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H]2CCOc3ccccc32)C[C@@H](C)O1 ZINC000249380957 866645033 /nfs/dbraw/zinc/64/50/33/866645033.db2.gz QRAJOEPLZQNXHG-NUJGCVRESA-N 0 0 381.476 3.946 10 0 GHAERN Cc1nc(CN2CCC(CNc3cc(N4CCC[C@H](C)C4)ncn3)CC2)oc1C ZINC000110603489 866648087 /nfs/dbraw/zinc/64/80/87/866648087.db2.gz KYESSMCNFTVOSU-INIZCTEOSA-N 0 0 398.555 3.642 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](c3ccc4c(c3)OCCO4)C(C)C)C2)c1 ZINC000111805992 866704642 /nfs/dbraw/zinc/70/46/42/866704642.db2.gz MIFLWWUTKYDMAT-WIYYLYMNSA-N 0 0 398.507 3.707 10 0 GHAERN O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000114741405 866770080 /nfs/dbraw/zinc/77/00/80/866770080.db2.gz MWMRUMBVDYHVPR-NSHDSACASA-N 0 0 392.424 3.610 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H](n2cncn2)C1 ZINC000173587114 866786501 /nfs/dbraw/zinc/78/65/01/866786501.db2.gz ISGBHXXQZAXVSE-DZGCQCFKSA-N 0 0 377.901 3.515 10 0 GHAERN O=C(CC1CCCC1)NC1CCC(C(=O)Nc2cccc(-c3ncon3)c2)CC1 ZINC000170631974 882041805 /nfs/dbraw/zinc/04/18/05/882041805.db2.gz RAIMRBRQJRSMBC-UHFFFAOYSA-N 0 0 396.491 3.930 10 0 GHAERN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000170632730 882043679 /nfs/dbraw/zinc/04/36/79/882043679.db2.gz CMVGMLYGSDSRSV-AWEZNQCLSA-N 0 0 396.472 3.744 10 0 GHAERN O=C(C=Cc1ccc(OCc2cccnc2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170681172 882047373 /nfs/dbraw/zinc/04/73/73/882047373.db2.gz NVKKXEHZSZZUBX-JRMCHAMMSA-N 0 0 388.471 3.803 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc4c(c3)NC(=O)CCS4)CC2)n1 ZINC000171221872 882088317 /nfs/dbraw/zinc/08/83/17/882088317.db2.gz AMWLQVPIHHXKJH-UHFFFAOYSA-N 0 0 387.530 3.906 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3sc(-c4ncccn4)nc3C)CC2)n1 ZINC000171221069 882088873 /nfs/dbraw/zinc/08/88/73/882088873.db2.gz JALMQIROCVHYNI-UHFFFAOYSA-N 0 0 385.518 3.693 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1nc(C)cs1 ZINC000171719768 882156339 /nfs/dbraw/zinc/15/63/39/882156339.db2.gz SQKBELQBKUOCBF-CABCVRRESA-N 0 0 384.509 3.535 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1nc(C)cs1 ZINC000171719762 882156344 /nfs/dbraw/zinc/15/63/44/882156344.db2.gz SQKBELQBKUOCBF-GJZGRUSLSA-N 0 0 384.509 3.535 10 0 GHAERN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000172290757 882194189 /nfs/dbraw/zinc/19/41/89/882194189.db2.gz YKBRREFCRPILRK-HNNXBMFYSA-N 0 0 378.480 3.897 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172495372 882289086 /nfs/dbraw/zinc/28/90/86/882289086.db2.gz WWIRQVGJELPRRH-VQTJNVASSA-N 0 0 389.503 3.640 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172540108 882294296 /nfs/dbraw/zinc/29/42/96/882294296.db2.gz HWIFMSNEABVHNS-CYBMUJFWSA-N 0 0 390.399 3.607 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000172517249 882292875 /nfs/dbraw/zinc/29/28/75/882292875.db2.gz UFYOGKXGLHOPNR-QGZVFWFLSA-N 0 0 384.524 3.649 10 0 GHAERN O=C(Nc1cccc(-c2ncc[nH]2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172514103 882293066 /nfs/dbraw/zinc/29/30/66/882293066.db2.gz NBEOMJODFCQEJE-UHFFFAOYSA-N 0 0 392.434 3.707 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1C(F)(F)F ZINC000172714180 882300937 /nfs/dbraw/zinc/30/09/37/882300937.db2.gz RXWYYEPYNVZQOQ-UHFFFAOYSA-N 0 0 391.393 3.900 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172706058 882301051 /nfs/dbraw/zinc/30/10/51/882301051.db2.gz DLDGHRPWPUVDAS-ZWKOTPCHSA-N 0 0 399.491 3.569 10 0 GHAERN O=C(Nc1ccc(F)cc1OC(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000172725623 882303042 /nfs/dbraw/zinc/30/30/42/882303042.db2.gz ICFUUNVOCSDAGH-UHFFFAOYSA-N 0 0 398.406 3.980 10 0 GHAERN O=C(c1ccccc1)C1CCN(C(=O)c2cc3cc(F)ccc3oc2=O)CC1 ZINC000172726639 882303343 /nfs/dbraw/zinc/30/33/43/882303343.db2.gz QAFYVGIXNQXUNK-UHFFFAOYSA-N 0 0 379.387 3.667 10 0 GHAERN CCc1ccc(CN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)C2CC2)cc1 ZINC000172749481 882305275 /nfs/dbraw/zinc/30/52/75/882305275.db2.gz UDGMFOCNHSPCQH-UHFFFAOYSA-N 0 0 391.515 3.687 10 0 GHAERN Cc1csc(C2CCN(C(=O)C(C)(C)NC(=O)Nc3ccccc3)CC2)n1 ZINC000172768120 882306994 /nfs/dbraw/zinc/30/69/94/882306994.db2.gz VFZCXIMLDFAYLF-UHFFFAOYSA-N 0 0 386.521 3.758 10 0 GHAERN C[C@@H](OC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)s1 ZINC000172793031 882307958 /nfs/dbraw/zinc/30/79/58/882307958.db2.gz PXPSMMZYXREOER-TZMCWYRMSA-N 0 0 378.881 3.953 10 0 GHAERN CCCCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172863260 882315349 /nfs/dbraw/zinc/31/53/49/882315349.db2.gz BSUHXSLEFKQRTE-UHFFFAOYSA-N 0 0 381.476 3.751 10 0 GHAERN CC(C)(NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(Cl)c1 ZINC000173081747 882319684 /nfs/dbraw/zinc/31/96/84/882319684.db2.gz IUFQYUUXRVWDCV-UHFFFAOYSA-N 0 0 385.895 3.639 10 0 GHAERN CCOc1ccccc1[C@H](CC)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172934478 882325164 /nfs/dbraw/zinc/32/51/64/882325164.db2.gz KYFDXLYYWCQLTF-IBGZPJMESA-N 0 0 395.503 3.600 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccccc2N2C(=O)CCC2=O)CC[C@H]1c1ccccc1 ZINC000173164513 882337040 /nfs/dbraw/zinc/33/70/40/882337040.db2.gz DSVISDZTRGUEPL-FUHWJXTLSA-N 0 0 391.471 3.998 10 0 GHAERN CCc1ccc([C@H]2CCCCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173727910 882369400 /nfs/dbraw/zinc/36/94/00/882369400.db2.gz AKMFHKMMTGKRJN-GOSISDBHSA-N 0 0 383.496 3.538 10 0 GHAERN CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H]2c2csc(C)n2)CC1=O ZINC000187060323 870247014 /nfs/dbraw/zinc/24/70/14/870247014.db2.gz IULPGYVUPCOKNG-APWZRJJASA-N 0 0 383.517 3.731 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2nnn(-c3cccc(Cl)c3)c2C)cs1 ZINC000187102848 870247615 /nfs/dbraw/zinc/24/76/15/870247615.db2.gz XYJYENDYMWYRAT-INIZCTEOSA-N 0 0 387.896 3.971 10 0 GHAERN O=C(c1nc(-c2cccs2)n(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046489712 870434387 /nfs/dbraw/zinc/43/43/87/870434387.db2.gz RCBMXJDFZXHWKG-SJORKVTESA-N 0 0 394.500 3.779 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c2cnn(Cc3cccs3)c2n1 ZINC000046496011 870434458 /nfs/dbraw/zinc/43/44/58/870434458.db2.gz DHDJIAPAYHCYDH-MOPGFXCFSA-N 0 0 396.516 3.633 10 0 GHAERN COC(=O)CNC(=O)c1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000174294920 882444871 /nfs/dbraw/zinc/44/48/71/882444871.db2.gz XEZOKXQNGKAJBI-UHFFFAOYSA-N 0 0 399.834 3.510 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2F)n1 ZINC000163552444 870847039 /nfs/dbraw/zinc/84/70/39/870847039.db2.gz PAPPPQAAMKVFFD-KKSFZXQISA-N 0 0 386.471 3.787 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000102968154 870867859 /nfs/dbraw/zinc/86/78/59/870867859.db2.gz PQXAFBFGPUBHJP-WIYYLYMNSA-N 0 0 384.451 3.892 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000103045111 871139093 /nfs/dbraw/zinc/13/90/93/871139093.db2.gz GOAJNUVRGICPHF-MGPUTAFESA-N 0 0 392.455 3.736 10 0 GHAERN O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(Cl)cc1Cl ZINC000003598753 871254820 /nfs/dbraw/zinc/25/48/20/871254820.db2.gz ARTZLTCNWHPDTE-UHFFFAOYSA-N 0 0 378.211 3.795 10 0 GHAERN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000175079628 882522287 /nfs/dbraw/zinc/52/22/87/882522287.db2.gz ICWMDLGOYYBHLJ-UHFFFAOYSA-N 0 0 398.482 3.944 10 0 GHAERN c1nn(-c2ccccc2)nc1COc1ccc(-c2noc([C@H]3CCCO3)n2)cc1 ZINC000103351868 871760602 /nfs/dbraw/zinc/76/06/02/871760602.db2.gz HUEUKSYXSTWPHO-LJQANCHMSA-N 0 0 389.415 3.748 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000103444516 871999918 /nfs/dbraw/zinc/99/99/18/871999918.db2.gz AHAYANXGGUFGBK-UHFFFAOYSA-N 0 0 388.489 3.624 10 0 GHAERN Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(N4CCOC4=O)cc3)n[nH]2)c1 ZINC000101672151 872179581 /nfs/dbraw/zinc/17/95/81/872179581.db2.gz BMZPSIFMCYLMNQ-UHFFFAOYSA-N 0 0 376.416 3.902 10 0 GHAERN Cc1nc2cc(NC(=O)NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)ccc2o1 ZINC000102029238 872493803 /nfs/dbraw/zinc/49/38/03/872493803.db2.gz ZRSFZJVJQOXIRV-AWEZNQCLSA-N 0 0 388.468 3.905 10 0 GHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000175738413 882619732 /nfs/dbraw/zinc/61/97/32/882619732.db2.gz MVZXWKZHACIYFX-AWEZNQCLSA-N 0 0 381.900 3.577 10 0 GHAERN CC[C@@H](NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)c1nccs1 ZINC000175802462 882632611 /nfs/dbraw/zinc/63/26/11/882632611.db2.gz DVZHDRVMFHXPNS-CXAGYDPISA-N 0 0 375.494 3.811 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)CCc3cc(F)ccc3F)C2)o1 ZINC000102141629 872637243 /nfs/dbraw/zinc/63/72/43/872637243.db2.gz XMCNBGDKNOUJLP-HNNXBMFYSA-N 0 0 391.414 3.894 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ncccc3OCC(F)(F)F)CC2)n1 ZINC000175819150 882635896 /nfs/dbraw/zinc/63/58/96/882635896.db2.gz RYIHHWNFYIDMSC-UHFFFAOYSA-N 0 0 385.411 3.807 10 0 GHAERN O=C(Nc1ccc(CCC(F)(F)F)cc1)NC1CCN(c2ncccn2)CC1 ZINC000176292289 882674332 /nfs/dbraw/zinc/67/43/32/882674332.db2.gz DIBGFKGAGJUFPD-UHFFFAOYSA-N 0 0 393.413 3.762 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3sc(-c4cnn(C)c4)nc3C)CC2)n1 ZINC000115357455 873086685 /nfs/dbraw/zinc/08/66/85/873086685.db2.gz ZYQLXYSBEDWREJ-UHFFFAOYSA-N 0 0 387.534 3.637 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCO[C@H]2c2ccccc2)c1Br ZINC000176642347 882722066 /nfs/dbraw/zinc/72/20/66/882722066.db2.gz XBGUFDDSEAPCAI-LRDDRELGSA-N 0 0 378.270 3.556 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)COCC3CC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744307 873525332 /nfs/dbraw/zinc/52/53/32/873525332.db2.gz PQLUEPZJYMDHPU-STQMWFEESA-N 0 0 386.414 3.684 10 0 GHAERN COc1ccc(SCCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116669472 873614623 /nfs/dbraw/zinc/61/46/23/873614623.db2.gz DKWQZOJOVNVBTN-UHFFFAOYSA-N 0 0 385.533 3.666 10 0 GHAERN CCN(CCNC(=O)N[C@@H](c1ccccc1)c1ccncc1)C(=O)OC(C)(C)C ZINC000103881729 873966208 /nfs/dbraw/zinc/96/62/08/873966208.db2.gz KVUQIJQLILQQQZ-IBGZPJMESA-N 0 0 398.507 3.727 10 0 GHAERN COc1ccccc1CC1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000102410416 882784491 /nfs/dbraw/zinc/78/44/91/882784491.db2.gz VNXBDPWWALVZOD-KRWDZBQOSA-N 0 0 377.492 3.687 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177511341 882810197 /nfs/dbraw/zinc/81/01/97/882810197.db2.gz WTBAVRACVGJZLA-LLVKDONJSA-N 0 0 397.472 3.803 10 0 GHAERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177324112 882819268 /nfs/dbraw/zinc/81/92/68/882819268.db2.gz GKZVZFFTIINDBX-HNNXBMFYSA-N 0 0 392.459 3.548 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccccc3)nc21 ZINC000177655857 882840941 /nfs/dbraw/zinc/84/09/41/882840941.db2.gz HTZNMDPDGONBGW-UYAOXDASSA-N 0 0 377.488 3.919 10 0 GHAERN COc1ccccc1CCN(C)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000104653831 874611445 /nfs/dbraw/zinc/61/14/45/874611445.db2.gz LYNZCUNJOMUIKR-UHFFFAOYSA-N 0 0 398.532 3.767 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000161898925 874782116 /nfs/dbraw/zinc/78/21/16/874782116.db2.gz PNAXCLCCUIQDLS-PMACEKPBSA-N 0 0 375.557 3.826 10 0 GHAERN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178306054 882883978 /nfs/dbraw/zinc/88/39/78/882883978.db2.gz MFXSZSIWKDJLHV-HNAYVOBHSA-N 0 0 386.810 3.831 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@@H]1CCCn3nc(C(C)C)nc31)CCC2 ZINC000153919618 875136825 /nfs/dbraw/zinc/13/68/25/875136825.db2.gz JYSMHZUJPOTVAV-HUUCEWRRSA-N 0 0 388.541 3.720 10 0 GHAERN CC(C)(C(=O)OCc1ccccc1C(N)=O)c1cccc(Br)c1 ZINC000105561320 875338100 /nfs/dbraw/zinc/33/81/00/875338100.db2.gz DCKDFHQZRSWRRV-UHFFFAOYSA-N 0 0 376.250 3.569 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000105598323 875342063 /nfs/dbraw/zinc/34/20/63/875342063.db2.gz MYWHKBBWJDREPU-QGZVFWFLSA-N 0 0 384.501 3.740 10 0 GHAERN O=C(NCC1(Cc2ccccc2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178882839 882960969 /nfs/dbraw/zinc/96/09/69/882960969.db2.gz QWBBAGWIGNPBLT-UHFFFAOYSA-N 0 0 394.490 3.817 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)N3CC=C(c4ccccc4F)CC3)cc2NC1=O ZINC000120356724 875948841 /nfs/dbraw/zinc/94/88/41/875948841.db2.gz VKIBPCABPHBXBM-CYBMUJFWSA-N 0 0 381.407 3.866 10 0 GHAERN CC(C)c1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000179462149 883000312 /nfs/dbraw/zinc/00/03/12/883000312.db2.gz QHPAQCFESKULMA-BLLLJJGKSA-N 0 0 380.286 3.918 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1noc(-c2ccccc2)n1 ZINC000121231453 876668498 /nfs/dbraw/zinc/66/84/98/876668498.db2.gz KVBROLQLRQXGED-HIFRSBDPSA-N 0 0 383.477 3.843 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1F ZINC000121586546 877333898 /nfs/dbraw/zinc/33/38/98/877333898.db2.gz PGWJESBCHCZSPR-UHFFFAOYSA-N 0 0 389.402 3.860 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121724287 877686485 /nfs/dbraw/zinc/68/64/85/877686485.db2.gz JMPVHIDHAOUZCA-PVAVHDDUSA-N 0 0 385.489 3.684 10 0 GHAERN CCS(=O)(=O)c1ccc(CCC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000122236559 878572556 /nfs/dbraw/zinc/57/25/56/878572556.db2.gz MJOMEIWBZOQGGD-UHFFFAOYSA-N 0 0 389.542 3.790 10 0 GHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122534197 879057434 /nfs/dbraw/zinc/05/74/34/879057434.db2.gz WWYWCSGCAAAPNY-HUUCEWRRSA-N 0 0 380.510 3.537 10 0 GHAERN COc1ccccc1/C=C/C(=O)N1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000123007269 879877818 /nfs/dbraw/zinc/87/78/18/879877818.db2.gz CWMPWRVAQWNKLG-CVTTXWKISA-N 0 0 375.428 3.726 10 0 GHAERN O=C([C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32)N1CCCC1 ZINC000248718058 880889351 /nfs/dbraw/zinc/88/93/51/880889351.db2.gz LGJKYZYYAYOKOZ-BRWVUGGUSA-N 0 0 380.488 3.522 10 0 GHAERN Cc1nc([C@H](NC(=O)[C@@H](C)Oc2cccc(C=O)c2)c2ccc(Cl)cc2)no1 ZINC000181285472 883132651 /nfs/dbraw/zinc/13/26/51/883132651.db2.gz RFBIXHPJSJWFJM-KZULUSFZSA-N 0 0 399.834 3.517 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(Cl)n1 ZINC000181902021 883192336 /nfs/dbraw/zinc/19/23/36/883192336.db2.gz OOWYJKIRANPPSJ-UHFFFAOYSA-N 0 0 389.858 3.982 10 0 GHAERN C[C@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)Cc1ccc(Cl)cc1 ZINC000181921621 883193812 /nfs/dbraw/zinc/19/38/12/883193812.db2.gz RZYKKSUKPFOHEF-INIZCTEOSA-N 0 0 389.927 3.504 10 0 GHAERN CCOc1cc(/C=C/C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)ccc1O ZINC000182450439 883203350 /nfs/dbraw/zinc/20/33/50/883203350.db2.gz ZWZLJSZFXXSTNT-WAEYIKQSSA-N 0 0 397.406 3.540 10 0 GHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1OC ZINC000182339431 883215756 /nfs/dbraw/zinc/21/57/56/883215756.db2.gz YIANTPPFBLIAKN-QGZVFWFLSA-N 0 0 398.503 3.656 10 0 GHAERN COc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1OC1CCCC1 ZINC000182555467 883227108 /nfs/dbraw/zinc/22/71/08/883227108.db2.gz VDCXLSBQOPYBOE-UHFFFAOYSA-N 0 0 397.519 3.845 10 0 GHAERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000183247192 883273645 /nfs/dbraw/zinc/27/36/45/883273645.db2.gz ZPZULKWVTLKJRJ-OAHLLOKOSA-N 0 0 384.395 3.954 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CCO1 ZINC000183750416 883284630 /nfs/dbraw/zinc/28/46/30/883284630.db2.gz PPSNBPKXBSGNQU-FHWLQOOXSA-N 0 0 399.539 3.602 10 0 GHAERN COc1cc(-c2nc(CN3CCCN(c4ccccn4)CC3)cs2)ccc1O ZINC000183781080 883288028 /nfs/dbraw/zinc/28/80/28/883288028.db2.gz UXDATEJIXYYOET-UHFFFAOYSA-N 0 0 396.516 3.632 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)Cc2cccs2)c2ccc(F)cc2C1 ZINC000184010306 883297282 /nfs/dbraw/zinc/29/72/82/883297282.db2.gz KMXZYIZDLFJHCH-YJYMSZOUSA-N 0 0 389.496 3.611 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000184008251 883297315 /nfs/dbraw/zinc/29/73/15/883297315.db2.gz MUXCZCDPFYOSPE-SGHGTVFPSA-N 0 0 375.488 3.745 10 0 GHAERN CCc1ccc(CCNC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184015499 883297738 /nfs/dbraw/zinc/29/77/38/883297738.db2.gz TZSNUGPUKGNRNC-QFIPXVFZSA-N 0 0 397.494 3.723 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)c2ccccc2C)c2ccc(F)cc2C1 ZINC000184011885 883297894 /nfs/dbraw/zinc/29/78/94/883297894.db2.gz GPGZAGUGHCBROI-VFNWGFHPSA-N 0 0 383.467 3.988 10 0 GHAERN CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184016717 883299050 /nfs/dbraw/zinc/29/90/50/883299050.db2.gz DBAPZCBRFGWHAO-IBGZPJMESA-N 0 0 389.496 3.912 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCCc2ccccc2)c2ccc(F)cc2C1 ZINC000184017377 883299509 /nfs/dbraw/zinc/29/95/09/883299509.db2.gz FAXGONVHPICIQJ-NRFANRHFSA-N 0 0 383.467 3.551 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000184025338 883300131 /nfs/dbraw/zinc/30/01/31/883300131.db2.gz GIDMMLDORSYFBI-RBUKOAKNSA-N 0 0 385.439 3.589 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)c1C ZINC000184022056 883300149 /nfs/dbraw/zinc/30/01/49/883300149.db2.gz JBLCSGZKZZVBIE-GFCCVEGCSA-N 0 0 376.844 3.570 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC2(c3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000184025538 883300494 /nfs/dbraw/zinc/30/04/94/883300494.db2.gz IKGBTRWRZCKNLL-NRFANRHFSA-N 0 0 395.478 3.650 10 0 GHAERN Cc1ccc(Br)c(NC(=O)N2CCCN(c3ccccn3)CC2)c1 ZINC000184139075 883322935 /nfs/dbraw/zinc/32/29/35/883322935.db2.gz KAYFCLQOHCPRMB-UHFFFAOYSA-N 0 0 389.297 3.897 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc(Cl)nc2Cl)c2ccc(F)cc2C1 ZINC000184163538 883326012 /nfs/dbraw/zinc/32/60/12/883326012.db2.gz YTGAVPXRRRYACZ-HNNXBMFYSA-N 0 0 396.249 3.751 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000184320057 883342776 /nfs/dbraw/zinc/34/27/76/883342776.db2.gz URLAQIJHCFYSNY-UHFFFAOYSA-N 0 0 394.500 3.733 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)CCO2)o1 ZINC000184336708 883344070 /nfs/dbraw/zinc/34/40/70/883344070.db2.gz VJUPVWGWRZWILP-GOSISDBHSA-N 0 0 386.448 3.988 10 0 GHAERN CC(=O)N1CC[C@H](N[C@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513683 883349048 /nfs/dbraw/zinc/34/90/48/883349048.db2.gz LBPANQWHYVOCHD-KUHUBIRLSA-N 0 0 380.467 3.857 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184635745 883368479 /nfs/dbraw/zinc/36/84/79/883368479.db2.gz OSWPNHIKLKHWHA-RTWAWAEBSA-N 0 0 399.441 3.745 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000184795513 883394315 /nfs/dbraw/zinc/39/43/15/883394315.db2.gz GWLXUPIJAWATSS-HXUWFJFHSA-N 0 0 396.487 3.706 10 0 GHAERN C[C@@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1cn(C)c2ccccc12 ZINC000184964081 883407451 /nfs/dbraw/zinc/40/74/51/883407451.db2.gz UXUAICWFYFSGHZ-GOSISDBHSA-N 0 0 395.547 3.923 10 0 GHAERN CS[C@@H]1CCCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185249076 883429700 /nfs/dbraw/zinc/42/97/00/883429700.db2.gz DSHVZRIAELMYCF-MJGOQNOKSA-N 0 0 393.528 3.546 10 0 GHAERN O=C(Nc1ccn(Cc2ccncc2)n1)N1CC=C(c2ccccc2F)CC1 ZINC000185344138 883437513 /nfs/dbraw/zinc/43/75/13/883437513.db2.gz MYSDFICCTGOJJL-UHFFFAOYSA-N 0 0 377.423 3.787 10 0 GHAERN COc1cccc([C@H](C)C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185504659 883546318 /nfs/dbraw/zinc/54/63/18/883546318.db2.gz VBPYVGZUFBFDLN-QKKBWIMNSA-N 0 0 384.451 3.548 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C/C=C/c2ccccc2F)c2ccc(F)cc2C1 ZINC000185514129 883548734 /nfs/dbraw/zinc/54/87/34/883548734.db2.gz ROAFCJGYQYMSSN-KOXUSJRISA-N 0 0 384.426 3.978 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccccc2OC(F)F)c2ccc(F)cc2C1 ZINC000185517142 883549032 /nfs/dbraw/zinc/54/90/32/883549032.db2.gz XRESLKAZIKLQTA-KRWDZBQOSA-N 0 0 392.377 3.650 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185536972 883551703 /nfs/dbraw/zinc/55/17/03/883551703.db2.gz NJXXCASTPXSVHX-FQEVSTJZSA-N 0 0 386.442 3.852 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc3c(cccc3F)[nH]2)c2ccc(F)cc2C1 ZINC000185688015 883573687 /nfs/dbraw/zinc/57/36/87/883573687.db2.gz ORWRZXVRAUTUNO-IBGZPJMESA-N 0 0 383.398 3.669 10 0 GHAERN CC(C)(C)c1nnc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1 ZINC000102567170 883577766 /nfs/dbraw/zinc/57/77/66/883577766.db2.gz OASLKTSYTNPZGY-UHFFFAOYSA-N 0 0 389.456 3.994 10 0 GHAERN c1ccc(-c2cnc(CNCc3ccc(OC[C@@H]4CCCO4)cc3)nc2)cc1 ZINC000185867158 883596019 /nfs/dbraw/zinc/59/60/19/883596019.db2.gz PYQUJAKPMNISHX-QFIPXVFZSA-N 0 0 375.472 3.991 10 0 GHAERN O=C(c1ccc(-c2cncnc2)cc1F)N1CCC(Cc2ccccn2)CC1 ZINC000185966329 883611211 /nfs/dbraw/zinc/61/12/11/883611211.db2.gz HMKSGDWLAIMVCF-UHFFFAOYSA-N 0 0 376.435 3.773 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000186217299 883623532 /nfs/dbraw/zinc/62/35/32/883623532.db2.gz IJFBPPLIVAGNNM-FQEVSTJZSA-N 0 0 398.890 3.676 10 0 GHAERN Cc1cccc([C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)c2ccccn2)c1 ZINC000186305801 883630878 /nfs/dbraw/zinc/63/08/78/883630878.db2.gz ABMVYXKYIOXVLG-DENIHFKCSA-N 0 0 378.497 3.988 10 0 GHAERN COCCC1(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CCCCC1 ZINC000186293683 883637847 /nfs/dbraw/zinc/63/78/47/883637847.db2.gz AFBWMMOWWZHZCN-SFHVURJKSA-N 0 0 399.539 3.605 10 0 GHAERN Cc1ccc(-c2nc(C)c(C(=O)N3CCCN(c4ccccn4)CC3)s2)o1 ZINC000186389479 883653850 /nfs/dbraw/zinc/65/38/50/883653850.db2.gz VTNPNWZRRBUOAE-UHFFFAOYSA-N 0 0 382.489 3.767 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccccc2)O1 ZINC000186574508 883664466 /nfs/dbraw/zinc/66/44/66/883664466.db2.gz CYVGMGFQBYQDRQ-IFXJQAMLSA-N 0 0 380.448 3.658 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)ccc2NC1=O ZINC000186633877 883678709 /nfs/dbraw/zinc/67/87/09/883678709.db2.gz JVEUTTNQAYIULR-RBUKOAKNSA-N 0 0 380.448 3.706 10 0 GHAERN COc1ccc(CC[C@@H](C)NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186644673 883680948 /nfs/dbraw/zinc/68/09/48/883680948.db2.gz MDSFHNNHIGHANB-CQSZACIVSA-N 0 0 382.464 3.815 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(c3ccc(C)cn3)CC2)cs1 ZINC000186819233 883708161 /nfs/dbraw/zinc/70/81/61/883708161.db2.gz QTQDOXZGJHETOQ-SFHVURJKSA-N 0 0 385.537 3.670 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000186926497 883717518 /nfs/dbraw/zinc/71/75/18/883717518.db2.gz BEKVICRASIWCEH-HNNXBMFYSA-N 0 0 394.427 3.809 10 0 GHAERN COc1ccc([C@@H](C)CCNC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000187278666 883775798 /nfs/dbraw/zinc/77/57/98/883775798.db2.gz SJMJVTYDTHUJSL-HNNXBMFYSA-N 0 0 388.537 3.931 10 0 GHAERN Cc1cc(C)c(NC(=O)N2CCC[C@@H]2Cn2ccnc2)cc1Br ZINC000187541959 883799024 /nfs/dbraw/zinc/79/90/24/883799024.db2.gz UKQKYEFHVHZSCG-CQSZACIVSA-N 0 0 377.286 3.959 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C)nc(C(F)(F)F)n3)C2)cc1 ZINC000188155770 883827166 /nfs/dbraw/zinc/82/71/66/883827166.db2.gz XBWLNOSFLKTODN-TZMCWYRMSA-N 0 0 379.382 3.831 10 0 GHAERN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1ccc2c(c1)NC(=O)C2 ZINC000188162868 883828636 /nfs/dbraw/zinc/82/86/36/883828636.db2.gz UBBBRTLQYSEEFS-HXUWFJFHSA-N 0 0 386.455 3.864 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1OC ZINC000188427731 883849360 /nfs/dbraw/zinc/84/93/60/883849360.db2.gz WKSXGUYQYIWOKA-UHFFFAOYSA-N 0 0 376.482 3.659 10 0 GHAERN C[C@H](NC(=O)c1coc(CNC(=O)OC(C)(C)C)c1)[C@@H]1COc2ccccc21 ZINC000188906730 883884291 /nfs/dbraw/zinc/88/42/91/883884291.db2.gz BXECOQSDYNTLJQ-GUYCJALGSA-N 0 0 386.448 3.599 10 0 GHAERN CS(=O)(=O)c1cccc(NC(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000189514565 883959726 /nfs/dbraw/zinc/95/97/26/883959726.db2.gz ODFUIFOOLYLTGF-CYBMUJFWSA-N 0 0 394.443 3.780 10 0 GHAERN O=C(OCc1ccn(-c2ccccc2)n1)C1CCN(C(=O)c2cccs2)CC1 ZINC000063545066 883992133 /nfs/dbraw/zinc/99/21/33/883992133.db2.gz QQXSSSCOQSAVFL-UHFFFAOYSA-N 0 0 395.484 3.529 10 0 GHAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189784628 883994680 /nfs/dbraw/zinc/99/46/80/883994680.db2.gz PPAPXOVVFKGJMZ-UHFFFAOYSA-N 0 0 399.512 3.577 10 0 GHAERN CC(C)NC(=O)c1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189811170 884011872 /nfs/dbraw/zinc/01/18/72/884011872.db2.gz DXDYAJPFGIJMAY-UHFFFAOYSA-N 0 0 378.472 3.533 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccnn2-c2cc(C)ccn2)C12CCCC2 ZINC000189818671 884013123 /nfs/dbraw/zinc/01/31/23/884013123.db2.gz AQPKTATYQMSYHT-DLBZAZTESA-N 0 0 383.496 3.777 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000189901860 884021947 /nfs/dbraw/zinc/02/19/47/884021947.db2.gz DLBVZUXPIORBPA-OALUTQOASA-N 0 0 394.450 3.780 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)C1 ZINC000190074213 884036353 /nfs/dbraw/zinc/03/63/53/884036353.db2.gz JJXZCSYGIRAGOL-BMGDILEWSA-N 0 0 387.480 3.566 10 0 GHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(Nc2nccs2)CC1 ZINC000190116033 884046743 /nfs/dbraw/zinc/04/67/43/884046743.db2.gz UWVPFKFSOVEXKU-AAEUAGOBSA-N 0 0 376.448 3.850 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190221394 884056866 /nfs/dbraw/zinc/05/68/66/884056866.db2.gz IVOVBFPMHJSEJL-NSHGMRRFSA-N 0 0 388.508 3.670 10 0 GHAERN CC(=O)N1CCc2cc(C(=O)N3CCC[C@H](c4cc(F)ccc4F)C3)ccc21 ZINC000190286700 884064306 /nfs/dbraw/zinc/06/43/06/884064306.db2.gz YNAAYSWGVGPVBD-KRWDZBQOSA-N 0 0 384.426 3.894 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@@H](c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C1 ZINC000190369413 884072250 /nfs/dbraw/zinc/07/22/50/884072250.db2.gz QVSSXWVDESVHLB-PMPSAXMXSA-N 0 0 378.517 3.533 10 0 GHAERN COCCOc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)c(Cl)c1 ZINC000190408478 884077842 /nfs/dbraw/zinc/07/78/42/884077842.db2.gz VSOYVRIGMXMEEB-UHFFFAOYSA-N 0 0 395.912 3.538 10 0 GHAERN O=C(Cc1csc(-c2cccs2)n1)N1CCC(Nc2nccs2)CC1 ZINC000190416895 884078687 /nfs/dbraw/zinc/07/86/87/884078687.db2.gz SEGMEGMRNUQKIM-UHFFFAOYSA-N 0 0 390.559 3.974 10 0 GHAERN CCOc1ccc(C(=O)N2CCC(Nc3nccs3)CC2)cc1OCC ZINC000190419081 884079408 /nfs/dbraw/zinc/07/94/08/884079408.db2.gz FBSVPIBIWIOTRU-UHFFFAOYSA-N 0 0 375.494 3.657 10 0 GHAERN COc1ccc(Cl)cc1NCCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190442800 884082163 /nfs/dbraw/zinc/08/21/63/884082163.db2.gz KOMNVNBMFQIJKN-UHFFFAOYSA-N 0 0 394.928 3.710 10 0 GHAERN O=C(c1ccc(C(F)(F)F)nc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190436358 884082181 /nfs/dbraw/zinc/08/21/81/884082181.db2.gz MOCJECXUISKPOX-UHFFFAOYSA-N 0 0 390.818 3.927 10 0 GHAERN O=C(CCc1ccc(Br)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190445747 884083266 /nfs/dbraw/zinc/08/32/66/884083266.db2.gz NVWHJUVVXCBENM-UHFFFAOYSA-N 0 0 394.338 3.941 10 0 GHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000190947065 884133258 /nfs/dbraw/zinc/13/32/58/884133258.db2.gz GAFYMPMWHJJBBC-SSPYTLHUSA-N 0 0 392.499 3.648 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000105099726 884165570 /nfs/dbraw/zinc/16/55/70/884165570.db2.gz ZWDFULDIHYJMOM-QHCPKHFHSA-N 0 0 397.482 3.989 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000192872925 884306541 /nfs/dbraw/zinc/30/65/41/884306541.db2.gz LZSQZNTZPPKBDH-GFCCVEGCSA-N 0 0 399.838 3.523 10 0 GHAERN COc1c(C)ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1C ZINC000193039488 884322182 /nfs/dbraw/zinc/32/21/82/884322182.db2.gz AEKOYPNOYJXPFR-INIZCTEOSA-N 0 0 379.464 3.766 10 0 GHAERN C[C@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1ccc(OC(F)F)cc1 ZINC000193257681 884334568 /nfs/dbraw/zinc/33/45/68/884334568.db2.gz QXXYTQKICREUMS-BLLLJJGKSA-N 0 0 389.402 3.774 10 0 GHAERN C[C@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1cccc(OC(F)F)c1 ZINC000193257655 884334918 /nfs/dbraw/zinc/33/49/18/884334918.db2.gz DBCCBNCAECNPCJ-LRDDRELGSA-N 0 0 389.402 3.774 10 0 GHAERN Cc1nc2ccccc2n1CCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102957891 884656624 /nfs/dbraw/zinc/65/66/24/884656624.db2.gz GQTMSDRDCNXYBF-SFHVURJKSA-N 0 0 392.459 3.620 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1)c1ccccc1 ZINC000105987969 884941045 /nfs/dbraw/zinc/94/10/45/884941045.db2.gz WDDNAPCJJLDPLR-YSSFQJQWSA-N 0 0 394.471 3.705 10 0 GHAERN CCc1c(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)[nH]c(C)c1C(C)=O ZINC000103974275 885206159 /nfs/dbraw/zinc/20/61/59/885206159.db2.gz YWAWUIHFPPQGQE-HNNXBMFYSA-N 0 0 385.483 3.746 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(-n2cccc2)c(F)c1 ZINC000104248440 885364637 /nfs/dbraw/zinc/36/46/37/885364637.db2.gz MCVMBUSWNOMAJW-UHFFFAOYSA-N 0 0 385.782 3.853 10 0 GHAERN CC[S@](=O)c1ccccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101531979 885946450 /nfs/dbraw/zinc/94/64/50/885946450.db2.gz FGMLTGGBAXXVGC-HHHXNRCGSA-N 0 0 386.448 3.581 10 0 GHAERN CCc1cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)n[nH]1 ZINC000102785179 885975343 /nfs/dbraw/zinc/97/53/43/885975343.db2.gz CIUOTEVGNVTRFQ-UHFFFAOYSA-N 0 0 376.460 3.616 10 0 GHAERN c1sc(C2CCCC2)nc1CN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106149981 886027078 /nfs/dbraw/zinc/02/70/78/886027078.db2.gz QHHQXJKDWWNCPT-UHFFFAOYSA-N 0 0 387.553 3.769 10 0 GHAERN COc1ccccc1C/C(C)=C/C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000106732010 886037084 /nfs/dbraw/zinc/03/70/84/886037084.db2.gz AWHUQTYQKLAKOP-VHEBQXMUSA-N 0 0 398.547 3.825 10 0 GHAERN COc1ccccc1-c1noc(CNc2cccc(C)c2C(=O)N2CCCC2)n1 ZINC000108348868 886070995 /nfs/dbraw/zinc/07/09/95/886070995.db2.gz CEOAROCBANWIHR-UHFFFAOYSA-N 0 0 392.459 3.902 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC=C(c2ccccc2)CC1 ZINC000111784067 886237349 /nfs/dbraw/zinc/23/73/49/886237349.db2.gz MKBUVAVBUJPWQQ-UHFFFAOYSA-N 0 0 375.428 3.661 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000117720267 886392386 /nfs/dbraw/zinc/39/23/86/886392386.db2.gz HFPGXIFTXGWPIA-HXUWFJFHSA-N 0 0 380.513 3.900 10 0 GHAERN Cc1c(NC(=O)N2CC=C(c3cccs3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000118006793 886398068 /nfs/dbraw/zinc/39/80/68/886398068.db2.gz UDUCPFJDTKBDMM-UHFFFAOYSA-N 0 0 394.500 3.867 10 0 GHAERN Cc1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cnn1-c1ccccc1 ZINC000120055957 886496071 /nfs/dbraw/zinc/49/60/71/886496071.db2.gz IDYMCCZOJCVGRQ-GOSISDBHSA-N 0 0 378.457 3.622 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)c2ccccc21 ZINC000332748821 886541871 /nfs/dbraw/zinc/54/18/71/886541871.db2.gz IPOHUKHZZGXXCL-ONTIZHBOSA-N 0 0 378.472 3.768 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)CCC2 ZINC000332864327 886555814 /nfs/dbraw/zinc/55/58/14/886555814.db2.gz YXHNGWQLHRQEEV-OALUTQOASA-N 0 0 386.471 3.593 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C[C@@H](C)O1 ZINC000332920855 886560693 /nfs/dbraw/zinc/56/06/93/886560693.db2.gz BIHVUYIPYLYFDO-GPMSIDNRSA-N 0 0 397.523 3.564 10 0 GHAERN CC(C)c1noc([C@@H](NC(=O)N[C@H](C)c2cccs2)C2CCOCC2)n1 ZINC000333004454 886567316 /nfs/dbraw/zinc/56/73/16/886567316.db2.gz LVXLUOJDCIRFJD-DOMZBBRYSA-N 0 0 378.498 3.783 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CSc2nccc3ccccc32)CC1 ZINC000121928669 886571260 /nfs/dbraw/zinc/57/12/60/886571260.db2.gz VAXXDTKVZZPJLG-UHFFFAOYSA-N 0 0 380.517 3.542 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 ZINC000121999336 886572892 /nfs/dbraw/zinc/57/28/92/886572892.db2.gz GWGILGVDWXXVEP-UHFFFAOYSA-N 0 0 384.867 3.823 10 0 GHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000123851121 886680969 /nfs/dbraw/zinc/68/09/69/886680969.db2.gz VVCPWOHZDIFKEI-ROUUACIJSA-N 0 0 380.444 3.527 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000042628293 886796810 /nfs/dbraw/zinc/79/68/10/886796810.db2.gz DXTJEISPNYLGJT-KRWDZBQOSA-N 0 0 389.515 3.576 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000042628285 886796974 /nfs/dbraw/zinc/79/69/74/886796974.db2.gz IXIPGTDHGPXRPB-IBGZPJMESA-N 0 0 385.552 3.745 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000126010374 886923612 /nfs/dbraw/zinc/92/36/12/886923612.db2.gz FJCJPDTVFMPFEK-VQIMIIECSA-N 0 0 381.501 3.593 10 0 GHAERN C[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@H]1COc2ccccc21 ZINC000126290679 886953292 /nfs/dbraw/zinc/95/32/92/886953292.db2.gz NZMXDGCDAGAYAG-XJKSGUPXSA-N 0 0 393.468 3.690 10 0 GHAERN O=C(c1sccc1-c1ccccc1)N1CCC(c2ccnn2CCO)CC1 ZINC000126329703 886958799 /nfs/dbraw/zinc/95/87/99/886958799.db2.gz XVYXCIOWPYGPHD-UHFFFAOYSA-N 0 0 381.501 3.624 10 0 GHAERN O=C(CN1CCC[C@@H]1c1nnc2n1CCCCC2)Nc1cccc2c1N=S=N2 ZINC000126802772 887008274 /nfs/dbraw/zinc/00/82/74/887008274.db2.gz NUPVXFXGOMJDLV-OAHLLOKOSA-N 0 0 397.508 3.507 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3nnc(-c4ccccc4)o3)CCO2)o1 ZINC000127489653 887065360 /nfs/dbraw/zinc/06/53/60/887065360.db2.gz RULJQEVFINQHFT-SFHVURJKSA-N 0 0 381.432 3.561 10 0 GHAERN Cc1nc(CC(C)C)c(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)s1 ZINC000127499895 887067288 /nfs/dbraw/zinc/06/72/88/887067288.db2.gz VLQYTCASKJBISB-UHFFFAOYSA-N 0 0 386.521 3.536 10 0 GHAERN O=C(Nc1ccccc1CN1CCNC1=O)N1CC=C(c2ccccc2F)CC1 ZINC000128090914 887143810 /nfs/dbraw/zinc/14/38/10/887143810.db2.gz YYPQYWSROISLDQ-UHFFFAOYSA-N 0 0 394.450 3.672 10 0 GHAERN COc1ccccc1CCNC(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000047205799 887289387 /nfs/dbraw/zinc/28/93/87/887289387.db2.gz GBIRLCXAMGZMLT-UHFFFAOYSA-N 0 0 395.503 3.606 10 0 GHAERN Cc1nc([C@@H](NC(=O)Nc2cnc(Cl)cc2C)c2ccccc2F)no1 ZINC000131983875 887595070 /nfs/dbraw/zinc/59/50/70/887595070.db2.gz ZUALSASRACMRTN-HNNXBMFYSA-N 0 0 375.791 3.785 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N3CC=C(c4cccs4)CC3)c2)no1 ZINC000135131576 887946184 /nfs/dbraw/zinc/94/61/84/887946184.db2.gz LWGAPQNQUJOYDZ-UHFFFAOYSA-N 0 0 381.457 3.948 10 0 GHAERN COc1cccc([C@@H](NC(=O)/C=C/c2cccc3cccnc23)c2nccn2C)c1 ZINC000055386482 888151808 /nfs/dbraw/zinc/15/18/08/888151808.db2.gz VJKLDRFSDLVAQB-HRBBJJPOSA-N 0 0 398.466 3.896 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)N[C@H](C)c2nnc3n2CCCC3)on1 ZINC000135351333 888230154 /nfs/dbraw/zinc/23/01/54/888230154.db2.gz GLEXKZWSVDVYIV-CQSZACIVSA-N 0 0 397.504 3.694 10 0 GHAERN C[C@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000054090757 888262624 /nfs/dbraw/zinc/26/26/24/888262624.db2.gz LRUOVQCVBVOYDA-INIZCTEOSA-N 0 0 384.501 3.650 10 0 GHAERN Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n(Cc2ccccc2)n1 ZINC000054141373 888265926 /nfs/dbraw/zinc/26/59/26/888265926.db2.gz MVAQFQHGQHIVHL-GOSISDBHSA-N 0 0 392.484 3.681 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000136443318 888296004 /nfs/dbraw/zinc/29/60/04/888296004.db2.gz YGPLDPWRIQSNNF-HSZRJFAPSA-N 0 0 399.462 3.769 10 0 GHAERN O=C(C1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1)N1CCCCCC1 ZINC000055049646 888299454 /nfs/dbraw/zinc/29/94/54/888299454.db2.gz GCFXZMKEISJSQS-FCHUYYIVSA-N 0 0 398.547 3.796 10 0 GHAERN O=C(Nc1ccc(Br)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000136898758 888320076 /nfs/dbraw/zinc/32/00/76/888320076.db2.gz NELAYIYUVCEYIZ-CYBMUJFWSA-N 0 0 380.217 3.668 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000056280101 888355168 /nfs/dbraw/zinc/35/51/68/888355168.db2.gz JAUJFURLAWTIDD-VXKWHMMOSA-N 0 0 392.499 3.575 10 0 GHAERN Cc1ccc(-c2nc(CC(=O)N[C@@H](c3nnc(C)[nH]3)c3ccccc3)cs2)o1 ZINC000057796635 888413720 /nfs/dbraw/zinc/41/37/20/888413720.db2.gz DSYDNTXZLVECLS-GOSISDBHSA-N 0 0 393.472 3.586 10 0 GHAERN COc1ccc(CC(=O)NCCc2nc(-c3ccccc3)oc2C)cc1OC ZINC000062576095 888507747 /nfs/dbraw/zinc/50/77/47/888507747.db2.gz YHLDPFSHKWEKCQ-UHFFFAOYSA-N 0 0 380.444 3.569 10 0 GHAERN Cc1ccc([C@](O)(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)C(F)(F)F)o1 ZINC000193729118 888520347 /nfs/dbraw/zinc/52/03/47/888520347.db2.gz FSYDMOGJMXGAGD-PZSREKOKSA-N 0 0 388.386 3.882 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000193853001 888532634 /nfs/dbraw/zinc/53/26/34/888532634.db2.gz AZUZBZDBXLCXAL-UHFFFAOYSA-N 0 0 385.533 3.823 10 0 GHAERN CN(c1ccccc1)C1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000193927844 888540923 /nfs/dbraw/zinc/54/09/23/888540923.db2.gz GCUCKZZKRGAKIR-FQEVSTJZSA-N 0 0 395.528 3.617 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N(Cc3ccc(C)s3)C(C)C)CC2)n1 ZINC000194352212 888579180 /nfs/dbraw/zinc/57/91/80/888579180.db2.gz VXRMKWUIEVXZRM-UHFFFAOYSA-N 0 0 388.537 3.509 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000194659321 888603780 /nfs/dbraw/zinc/60/37/80/888603780.db2.gz LLELYJIDPKOTCB-HOTGVXAUSA-N 0 0 386.377 3.706 10 0 GHAERN Cc1ccc(CN[C@@H](c2cccs2)c2ncc[nH]2)c(-n2cc(Cl)cn2)n1 ZINC000195128286 888647767 /nfs/dbraw/zinc/64/77/67/888647767.db2.gz ZYLAISDFNSERJD-INIZCTEOSA-N 0 0 384.896 3.893 10 0 GHAERN O=C(CN1CCC[C@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348275 888683059 /nfs/dbraw/zinc/68/30/59/888683059.db2.gz SLIBEFWIPDZEPL-ZDUSSCGKSA-N 0 0 387.427 3.507 10 0 GHAERN Clc1cc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c2c(c1)COCO2 ZINC000195510740 888685021 /nfs/dbraw/zinc/68/50/21/888685021.db2.gz RCJZUWKHUCDVHR-QGZVFWFLSA-N 0 0 388.899 3.862 10 0 GHAERN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(c2ccnn2CCO)CC1 ZINC000195513452 888685197 /nfs/dbraw/zinc/68/51/97/888685197.db2.gz KQWQKGPSQPGBRH-AWEZNQCLSA-N 0 0 389.450 3.561 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000245390058 888743493 /nfs/dbraw/zinc/74/34/93/888743493.db2.gz KMZACQISLOUDPZ-WMTXJRDZSA-N 0 0 390.483 3.987 10 0 GHAERN CN1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592689 889033786 /nfs/dbraw/zinc/03/37/86/889033786.db2.gz HIIWDXBXHWBWJL-GDBMZVCRSA-N 0 0 385.336 3.554 10 0 GHAERN Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245706977 889344939 /nfs/dbraw/zinc/34/49/39/889344939.db2.gz XYENUMRYVVSHPT-VQIMIIECSA-N 0 0 399.926 3.513 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000245711677 889392160 /nfs/dbraw/zinc/39/21/60/889392160.db2.gz ZWFVJHCOYWZOIS-NJDAHSKKSA-N 0 0 396.535 3.807 10 0 GHAERN CC[C@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000245722866 889453508 /nfs/dbraw/zinc/45/35/08/889453508.db2.gz DNBJDKSMWUVWDO-UXHICEINSA-N 0 0 397.519 3.845 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762784 889665782 /nfs/dbraw/zinc/66/57/82/889665782.db2.gz IYBDIXCLXITWNN-FUHWJXTLSA-N 0 0 394.853 3.600 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)N[C@@H](C)c2ncc(C)s2)C1 ZINC000245917528 890011110 /nfs/dbraw/zinc/01/11/10/890011110.db2.gz FSVYXXOKSNERAD-USXIJHARSA-N 0 0 387.505 3.501 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000246347056 891048508 /nfs/dbraw/zinc/04/85/08/891048508.db2.gz FRQPFMHMANOINA-HZPDHXFCSA-N 0 0 389.496 3.810 10 0 GHAERN Cc1cccc(NC(=O)N2CCC(C(=O)N(C)[C@H](C)c3cccnc3)CC2)c1 ZINC000068294573 891175262 /nfs/dbraw/zinc/17/52/62/891175262.db2.gz KIYQDTGWBPUTRC-QGZVFWFLSA-N 0 0 380.492 3.854 10 0 GHAERN Cn1c(=S)[nH]nc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000068428554 891178772 /nfs/dbraw/zinc/17/87/72/891178772.db2.gz ZDXVXGCLDHZIGF-ZIAGYGMSSA-N 0 0 376.913 3.641 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)c1cccc(-n2cccn2)c1 ZINC000246411723 891229791 /nfs/dbraw/zinc/22/97/91/891229791.db2.gz CAWXAYPWTVEYMK-XKGZKEIXSA-N 0 0 394.475 3.824 10 0 GHAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246557753 891285876 /nfs/dbraw/zinc/28/58/76/891285876.db2.gz RLCFBGXQTVPQEQ-HHXXYDBFSA-N 0 0 387.501 3.833 10 0 GHAERN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246705275 891300294 /nfs/dbraw/zinc/30/02/94/891300294.db2.gz SBZARHPRMCZINE-YSVLISHTSA-N 0 0 376.428 3.786 10 0 GHAERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000246757952 891304472 /nfs/dbraw/zinc/30/44/72/891304472.db2.gz VWRZMKNYBHPBDG-LBTNJELSSA-N 0 0 398.438 3.748 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1NC(=O)c1ccco1 ZINC000246815355 891311459 /nfs/dbraw/zinc/31/14/59/891311459.db2.gz PYJOLOIHZICWDI-NSISKUIASA-N 0 0 394.471 3.918 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H]2OCC[C@H]21)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000247431984 891376603 /nfs/dbraw/zinc/37/66/03/891376603.db2.gz NUMFIHHXUUAXGJ-ZGXWSNOMSA-N 0 0 392.927 3.753 10 0 GHAERN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247563282 891386289 /nfs/dbraw/zinc/38/62/89/891386289.db2.gz RWCJIMPNZUFWAV-ZCNNSNEGSA-N 0 0 385.508 3.572 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)o1 ZINC000248049021 891407261 /nfs/dbraw/zinc/40/72/61/891407261.db2.gz NKYDWHPKBNNJRO-DIMQALBXSA-N 0 0 378.472 3.581 10 0 GHAERN Cc1nc([C@H](NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c2ccccc2F)no1 ZINC000248651293 891451963 /nfs/dbraw/zinc/45/19/63/891451963.db2.gz UYHKDGCVOIOJDD-FASAQXTFSA-N 0 0 395.438 3.794 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)c2ccc(F)cc2C1 ZINC000248660587 891454502 /nfs/dbraw/zinc/45/45/02/891454502.db2.gz ZNEVXSTXVUALFN-QRVBRYPASA-N 0 0 386.492 3.909 10 0 GHAERN C[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000249119446 891497443 /nfs/dbraw/zinc/49/74/43/891497443.db2.gz BQVLNQHWQFQKRZ-UJCHZGTJSA-N 0 0 388.508 3.572 10 0 GHAERN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)N(Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000249171522 891499845 /nfs/dbraw/zinc/49/98/45/891499845.db2.gz LJGZAYFANKFQFV-ZRNYENFQSA-N 0 0 386.517 3.561 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)N[C@@H](c2nccs2)c2ccccc2)cs1 ZINC000249471130 891507881 /nfs/dbraw/zinc/50/78/81/891507881.db2.gz RZJQOSAZDJAHQA-PKOBYXMFSA-N 0 0 398.557 3.951 10 0 GHAERN C[C@H](C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1ccc2ccccc2c1 ZINC000252647387 891717231 /nfs/dbraw/zinc/71/72/31/891717231.db2.gz JMMGDGVQZDWKLN-ZLGUVYLKSA-N 0 0 377.488 3.649 10 0 GHAERN Cc1ccccc1[C@@H]1CN(c2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)[C@@H](C)CO1 ZINC000253597480 891881839 /nfs/dbraw/zinc/88/18/39/891881839.db2.gz QEHXZNDEMPWGSE-YOEHRIQHSA-N 0 0 381.480 3.562 10 0 GHAERN CC(C)N1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558340 891881949 /nfs/dbraw/zinc/88/19/49/891881949.db2.gz NVIREJYXQKUAME-FUHWJXTLSA-N 0 0 377.847 3.534 10 0 GHAERN CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000101996038 897987286 /nfs/dbraw/zinc/98/72/86/897987286.db2.gz LSRDORNNAOWPDH-KDOFPFPSSA-N 0 0 377.916 3.665 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2nnc(C(F)F)s2)CC1 ZINC000102534237 898013765 /nfs/dbraw/zinc/01/37/65/898013765.db2.gz JHOHXWXKJLKDGQ-UHFFFAOYSA-N 0 0 382.436 3.971 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000102578503 898015724 /nfs/dbraw/zinc/01/57/24/898015724.db2.gz SXNFWQDRTOAHMB-KRWDZBQOSA-N 0 0 399.457 3.912 10 0 GHAERN C[C@@H](NC(=O)N(C)C[C@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000102902823 898047538 /nfs/dbraw/zinc/04/75/38/898047538.db2.gz CUMMBGZPYRURMN-OXQOHEQNSA-N 0 0 381.476 3.820 10 0 GHAERN C[C@]1(F)CNCCN(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000333255832 901946229 /nfs/dbraw/zinc/94/62/29/901946229.db2.gz DFCSAYZOFROFAR-QRWLVFNGSA-N 0 0 388.512 3.581 10 0 GHAERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333847500 902369007 /nfs/dbraw/zinc/36/90/07/902369007.db2.gz WNDYSQTXECHUOH-SQGPQFPESA-N 0 0 380.492 3.511 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181172775 906931948 /nfs/dbraw/zinc/93/19/48/906931948.db2.gz SVTGMCIWISDCTC-BFHYXJOUSA-N 0 0 380.370 3.561 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1)Nc1ccccc1 ZINC000181180207 906934184 /nfs/dbraw/zinc/93/41/84/906934184.db2.gz KVWRZXSOBUPDCA-CQSZACIVSA-N 0 0 396.476 3.878 10 0 GHAERN CCCNC(=O)c1cccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000186303047 907904575 /nfs/dbraw/zinc/90/45/75/907904575.db2.gz KDZLLIZYOFZSNG-SFHVURJKSA-N 0 0 386.521 3.638 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccccc2Br)cs1 ZINC000187126257 908042354 /nfs/dbraw/zinc/04/23/54/908042354.db2.gz AXRMTIRLDGXPMF-AWEZNQCLSA-N 0 0 381.295 3.957 10 0 GHAERN CCCCOc1ccc(NC(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)c(C)c1 ZINC000189410255 908317745 /nfs/dbraw/zinc/31/77/45/908317745.db2.gz VKJQFTGZOBKHBV-FUHWJXTLSA-N 0 0 388.468 3.859 10 0 GHAERN CCOC(=O)c1cnc(C(=O)N2CCC[C@H]2c2csc(C)n2)c(Cl)c1 ZINC000189997468 908398729 /nfs/dbraw/zinc/39/87/29/908398729.db2.gz ZRPQADJIONGYHB-AWEZNQCLSA-N 0 0 379.869 3.654 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000190009910 908402541 /nfs/dbraw/zinc/40/25/41/908402541.db2.gz LNNNNINVLUBQES-QUCCMNQESA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000190057955 908416351 /nfs/dbraw/zinc/41/63/51/908416351.db2.gz ZPQPRJWLJHMTCT-HUUCEWRRSA-N 0 0 387.436 3.848 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000190132732 908433999 /nfs/dbraw/zinc/43/39/99/908433999.db2.gz ZUDMUKWTIXPWGG-JSGCOSHPSA-N 0 0 384.358 3.699 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CCO2)n1 ZINC000194072472 908914049 /nfs/dbraw/zinc/91/40/49/908914049.db2.gz HKRMDPOTLFQJMR-CABCVRRESA-N 0 0 393.509 3.911 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CCO2)n1 ZINC000194084811 908914297 /nfs/dbraw/zinc/91/42/97/908914297.db2.gz VLBRXKNMWSTUCH-CVEARBPZSA-N 0 0 377.897 3.875 10 0 GHAERN CCOc1ccc(CC(=O)OCC[C@@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000103815880 911179678 /nfs/dbraw/zinc/17/96/78/911179678.db2.gz PRFFUQHXPYPWOH-IBGZPJMESA-N 0 0 398.503 3.595 10 0 GHAERN Cc1ccnc2nc(C(=O)N3CCC[C@H]3C[C@@H]3CCCc4ccccc43)nn21 ZINC000365131817 920412279 /nfs/dbraw/zinc/41/22/79/920412279.db2.gz AMDIDPVFAJZBFZ-ROUUACIJSA-N 0 0 375.476 3.548 10 0 GHAERN Cc1[nH]c(C[NH2+]C[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000686995114 976124548 /nfs/dbraw/zinc/12/45/48/976124548.db2.gz SDNARFSSMJTSGJ-HNNXBMFYSA-N 0 0 379.501 3.537 10 0 GHAERN C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000697004291 976831639 /nfs/dbraw/zinc/83/16/39/976831639.db2.gz KJWWSKKDJFFALY-LBPRGKRZSA-N 0 0 383.514 3.720 10 0 GHAERN Cc1ccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(C)cc2)o1 ZINC000017079163 210203249 /nfs/dbraw/zinc/20/32/49/210203249.db2.gz RBKXKLPPJCWJOU-UHFFFAOYSA-N 0 0 387.549 3.818 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(F)cc1 ZINC000015920771 210180157 /nfs/dbraw/zinc/18/01/57/210180157.db2.gz XGGBUOQIMWBEOT-NRFANRHFSA-N 0 0 395.434 3.806 10 0 GHAERN Cc1c(CC(=O)N(C)C2CCOCC2)c2c(n1CC(C)C)CC(C)(C)CC2=O ZINC000014973250 210137144 /nfs/dbraw/zinc/13/71/44/210137144.db2.gz MMBAABYYRJRAOS-UHFFFAOYSA-N 0 0 388.552 3.788 10 0 GHAERN COc1cc(OC)c(C(=O)N[C@@H](C)c2ccccc2Br)cc1OC ZINC000014425947 210118209 /nfs/dbraw/zinc/11/82/09/210118209.db2.gz DXULTZIWYVRZKI-NSHDSACASA-N 0 0 394.265 3.966 10 0 GHAERN CSc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2nonc2C)O3)cc1 ZINC000012038948 209902536 /nfs/dbraw/zinc/90/25/36/209902536.db2.gz NGVMVWXCZGOXFD-MRXNPFEDSA-N 0 0 381.457 3.500 10 0 GHAERN CC(C)[C@@H](O)c1ccc2c(c1)CN(C(=O)c1ccccc1-n1cccn1)CCO2 ZINC000012048652 209901407 /nfs/dbraw/zinc/90/14/07/209901407.db2.gz MERRULUFLWCOIV-JOCHJYFZSA-N 0 0 391.471 3.597 10 0 GHAERN CCCC[C@](C)(O)C/C=C/[C@H]1[C@@H](CCCCCCC(=O)OC)C(=O)C[C@@H]1O ZINC000011592713 209874564 /nfs/dbraw/zinc/87/45/64/209874564.db2.gz OJLOPKGSLYJEMD-OWMRWLQMSA-N 0 0 382.541 3.954 10 0 in-vitro GHAERN COc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1Br ZINC000005662170 209607631 /nfs/dbraw/zinc/60/76/31/209607631.db2.gz KMEIHANBQUXQDJ-UHFFFAOYSA-N 0 0 396.237 3.736 10 0 GHAERN CC(C)(C)C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C1CC1 ZINC000004584403 209499205 /nfs/dbraw/zinc/49/92/05/209499205.db2.gz GXLMEQCWDZEQAZ-UHFFFAOYSA-N 0 0 386.467 3.985 10 0 GHAERN O=C(CCCN1CCN(C(=O)OC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000031545115 209245059 /nfs/dbraw/zinc/24/50/59/209245059.db2.gz OCHNIEZVJROLLV-UHFFFAOYSA-N 0 0 376.472 3.876 10 0 in-man GHAERN CCc1nnc(NC(=O)CSc2nc(C)nc3c2[C@H](CC)[C@H](C)S3)s1 ZINC000215967171 211743189 /nfs/dbraw/zinc/74/31/89/211743189.db2.gz FBGRYXJEDFBDDW-WCBMZHEXSA-N 0 0 395.579 3.918 10 0 GHAERN CCN(c1ccccc1)c1nc2nonc2nc1Nc1ccc(NC(C)=O)cc1 ZINC000098086419 211380227 /nfs/dbraw/zinc/38/02/27/211380227.db2.gz RHEBMAZUYZUOAD-UHFFFAOYSA-N 0 0 389.419 3.873 10 0 GHAERN O=c1c(NCc2cc(F)ccc2F)nc2ccncc2n1Cc1ccccc1 ZINC000096310586 211332747 /nfs/dbraw/zinc/33/27/47/211332747.db2.gz JGNDKORIXLEWNR-UHFFFAOYSA-N 0 0 378.382 3.730 10 0 GHAERN COCCNC(=O)c1ccccc1CSc1nnc(C)n1-c1ccccc1C ZINC000096291061 211331863 /nfs/dbraw/zinc/33/18/63/211331863.db2.gz LWTPGMBIYJJYBO-UHFFFAOYSA-N 0 0 396.516 3.553 10 0 GHAERN CCn1c(SCc2ccccc2C(=O)NC2CC2)nnc1-c1ccncc1 ZINC000096290880 211330695 /nfs/dbraw/zinc/33/06/95/211330695.db2.gz UKVDTJNFPNZKKN-UHFFFAOYSA-N 0 0 379.489 3.545 10 0 GHAERN COc1ccccc1OCC(=O)N1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095528906 211274624 /nfs/dbraw/zinc/27/46/24/211274624.db2.gz COGZNVVJLNGPKS-HSZRJFAPSA-N 0 0 397.471 3.674 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091757 211220223 /nfs/dbraw/zinc/22/02/23/211220223.db2.gz AIBZHHDPSCLTLH-HNNXBMFYSA-N 0 0 386.496 3.722 10 0 GHAERN CCNC(=O)c1ccnc(N2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3)C2)c1 ZINC000067714873 211017633 /nfs/dbraw/zinc/01/76/33/211017633.db2.gz QICJMKOHDKELNA-KRWDZBQOSA-N 0 0 393.466 3.745 10 0 GHAERN CCCc1nnc(C(=O)Nc2cccc(C(=O)N[C@@H](C)Cc3ccco3)c2)s1 ZINC000033022761 210617992 /nfs/dbraw/zinc/61/79/92/210617992.db2.gz AGOLHZQEOLKKBO-ZDUSSCGKSA-N 0 0 398.488 3.697 10 0 GHAERN O=C(CSc1ccccc1)NC[C@@H]1Cc2cc(-c3cccnc3)ccc2O1 ZINC000020536568 210346675 /nfs/dbraw/zinc/34/66/75/210346675.db2.gz PFAPJGPBFNHWCA-IBGZPJMESA-N 0 0 376.481 3.961 10 0 GHAERN Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1C ZINC000020381386 210332366 /nfs/dbraw/zinc/33/23/66/210332366.db2.gz HDVXJJUOYDLALI-UHFFFAOYSA-N 0 0 382.485 3.521 10 0 GHAERN COc1cccc(-c2noc(-c3ccc(NCc4ccccn4)nc3)n2)c1OC ZINC000019782351 210295214 /nfs/dbraw/zinc/29/52/14/210295214.db2.gz DHRWRFDKTJETBA-UHFFFAOYSA-N 0 0 389.415 3.823 10 0 GHAERN Cc1nc(-c2cccnc2N2CCC(C(=O)NCCC3=CCCCC3)CC2)no1 ZINC000065227554 136160492 /nfs/dbraw/zinc/16/04/92/136160492.db2.gz HNEDLFXMAQFQPQ-UHFFFAOYSA-N 0 0 395.507 3.663 10 0 GHAERN O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCc1cccc(F)c1 ZINC000065245234 136161578 /nfs/dbraw/zinc/16/15/78/136161578.db2.gz AZQWQJWUPOOFCW-INIZCTEOSA-N 0 0 397.498 3.503 10 0 GHAERN C[C@H]1CCCC[C@@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000003670168 570350386 /nfs/dbraw/zinc/35/03/86/570350386.db2.gz SJSJFFFPGAOERB-VPKVUBIPSA-N 0 0 379.460 3.579 10 0 GHAERN COc1ccc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)cc1Cl ZINC000005007564 570394020 /nfs/dbraw/zinc/39/40/20/570394020.db2.gz ZGINWSQNNVEHEM-UHFFFAOYSA-N 0 0 388.876 3.931 10 0 GHAERN O=C(NCc1ccccc1)c1coc(CN(Cc2ccc(F)cc2)C2CC2)n1 ZINC000036082721 570529001 /nfs/dbraw/zinc/52/90/01/570529001.db2.gz IDSOUSGFFQYQHC-UHFFFAOYSA-N 0 0 379.435 3.908 10 0 GHAERN CSc1c(F)cnc(=O)n1CC(=O)N1c2ccccc2Sc2ccccc21 ZINC000009235018 570553225 /nfs/dbraw/zinc/55/32/25/570553225.db2.gz GQGGBEXHFUWOQP-UHFFFAOYSA-N 0 0 399.472 3.934 10 0 GHAERN Cc1cccc(N2CCN(C(=O)[C@@H](C)n3sc4ccccc4c3=O)C[C@@H]2C)c1 ZINC000006780749 570588680 /nfs/dbraw/zinc/58/86/80/570588680.db2.gz XJQFOHYUOWFIDX-DLBZAZTESA-N 0 0 395.528 3.670 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ncc(Cl)cn1)CC2 ZINC000275692376 570699524 /nfs/dbraw/zinc/69/95/24/570699524.db2.gz MPYSZBNCVLJQIP-MRXNPFEDSA-N 0 0 376.913 3.599 10 0 GHAERN Cc1ncc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1C(C)C ZINC000040917860 581091427 /nfs/dbraw/zinc/09/14/27/581091427.db2.gz XCPITERAYNQRGL-UHFFFAOYSA-N 0 0 396.470 3.949 10 0 GHAERN C[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Cl)s1 ZINC000066985017 834732114 /nfs/dbraw/zinc/73/21/14/834732114.db2.gz ZLTMSFNJOLQLGO-CYBMUJFWSA-N 0 0 383.945 3.897 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246782499 834732833 /nfs/dbraw/zinc/73/28/33/834732833.db2.gz RVRQQGWMBMQQIT-WFASDCNBSA-N 0 0 397.846 3.675 10 0 GHAERN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCc2cncnc2C1 ZINC000329315493 834835148 /nfs/dbraw/zinc/83/51/48/834835148.db2.gz BAADFXGORRUYGR-HOTGVXAUSA-N 0 0 376.485 3.721 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)C2)c1 ZINC000111766167 834991281 /nfs/dbraw/zinc/99/12/81/834991281.db2.gz WEHPXYMQQWMLSH-QGZVFWFLSA-N 0 0 396.520 3.811 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)ccc1F ZINC000157873165 835132731 /nfs/dbraw/zinc/13/27/31/835132731.db2.gz AFHRJFYWSFPQFF-QXLXQBSBSA-N 0 0 384.455 3.529 10 0 GHAERN COc1ccc(OC)c(/C=C/C(=O)NCc2nnc(-c3ccccc3)s2)c1 ZINC000158294495 835301384 /nfs/dbraw/zinc/30/13/84/835301384.db2.gz JGNBVEYBUFTWOV-DHZHZOJOSA-N 0 0 381.457 3.552 10 0 GHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cn1 ZINC000158588341 835449216 /nfs/dbraw/zinc/44/92/16/835449216.db2.gz DLMWADQLIWEYQX-QGZVFWFLSA-N 0 0 384.871 3.687 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)c3csc(-c4cnn(C)c4)n3)C2)sc1C ZINC000329637644 835489148 /nfs/dbraw/zinc/48/91/48/835489148.db2.gz YRYJNQVXZGBGBP-CYBMUJFWSA-N 0 0 387.534 3.637 10 0 GHAERN O=C(/C=C/c1cccc(Br)c1)N1CCN(c2ccccc2F)CC1 ZINC000003222935 835528620 /nfs/dbraw/zinc/52/86/20/835528620.db2.gz RCZJKQHQEDBIBD-CMDGGOBGSA-N 0 0 389.268 3.950 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cccc(N(C)C)c3C)CC2)n1 ZINC000187718604 835655507 /nfs/dbraw/zinc/65/55/07/835655507.db2.gz GJDNHSHTARABDV-UHFFFAOYSA-N 0 0 396.539 3.637 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3nc(-c4cc(F)c(F)c(F)c4)no3)CCO2)o1 ZINC000159187786 835753109 /nfs/dbraw/zinc/75/31/09/835753109.db2.gz JDNOKRNDGAFIRS-OAHLLOKOSA-N 0 0 379.338 3.629 10 0 GHAERN C[C@@]1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCc2ccccc21 ZINC000159208034 835762203 /nfs/dbraw/zinc/76/22/03/835762203.db2.gz UIGURJCFTWRDTN-XMMPIXPASA-N 0 0 382.548 3.922 10 0 GHAERN Clc1ccc(-n2cc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)cn2)cc1 ZINC000329742860 835845539 /nfs/dbraw/zinc/84/55/39/835845539.db2.gz WVLNXMWMUKULSI-SJORKVTESA-N 0 0 385.855 3.502 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333175551 844131822 /nfs/dbraw/zinc/13/18/22/844131822.db2.gz OOJWMBRCMJLUCR-MWTRTKDXSA-N 0 0 397.494 3.657 10 0 GHAERN CC(C)c1noc(-c2ccccc2C(=O)N2CCc3c(nc(C(C)C)n3C)C2)n1 ZINC000112665934 836186799 /nfs/dbraw/zinc/18/67/99/836186799.db2.gz KHYJTLWPKSGZKN-UHFFFAOYSA-N 0 0 393.491 3.915 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCO[C@H](C2CCCCC2)C1 ZINC000333202317 844249188 /nfs/dbraw/zinc/24/91/88/844249188.db2.gz ROZOELKBLIUQIK-SQNIBIBYSA-N 0 0 378.538 3.959 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)cc2NC1=O ZINC000103315398 837302712 /nfs/dbraw/zinc/30/27/12/837302712.db2.gz HJJOKVVPUXUFPM-JLTOFOAXSA-N 0 0 388.427 3.712 10 0 GHAERN CN(C)C(=O)Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000103315473 837302866 /nfs/dbraw/zinc/30/28/66/837302866.db2.gz LCFMAIPWVBCOGY-JOCHJYFZSA-N 0 0 388.471 3.623 10 0 GHAERN CCNc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588401709 838364812 /nfs/dbraw/zinc/36/48/12/838364812.db2.gz HDEUUWVQLKAMHQ-WDZFZDKYSA-N 0 0 393.896 3.795 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)c3coc(C4CCOCC4)n3)C2)sc1C ZINC000407984290 838395613 /nfs/dbraw/zinc/39/56/13/838395613.db2.gz VNEKREGFTJMFCA-HNNXBMFYSA-N 0 0 375.494 3.662 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(C(C)C)n(C(C)(C)C)n3)C2)n1 ZINC000116773131 839414370 /nfs/dbraw/zinc/41/43/70/839414370.db2.gz FWIRZNYIYHIXFG-KRWDZBQOSA-N 0 0 386.544 3.522 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)C1 ZINC000246411788 839679550 /nfs/dbraw/zinc/67/95/50/839679550.db2.gz LWQZAKOHIDAUKP-DFQSSKMNSA-N 0 0 397.519 3.681 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(-c2cccnc2)cc1 ZINC000588383706 839877183 /nfs/dbraw/zinc/87/71/83/839877183.db2.gz RQVPDNOYXQOSDR-SJORKVTESA-N 0 0 389.503 3.627 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)CCO2)n1 ZINC000332716601 844543259 /nfs/dbraw/zinc/54/32/59/844543259.db2.gz HZGYRUNPYSAVEL-RDBSUJKOSA-N 0 0 391.459 3.903 10 0 GHAERN C[C@@H](CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000109968758 840591735 /nfs/dbraw/zinc/59/17/35/840591735.db2.gz OVAKZIDIIYFXRB-KRWDZBQOSA-N 0 0 382.479 3.988 10 0 GHAERN Cc1c(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)[nH]c2c1C(=O)CCC2 ZINC000408088176 840616076 /nfs/dbraw/zinc/61/60/76/840616076.db2.gz HMFOLVNOSIHZRN-HXUWFJFHSA-N 0 0 376.378 3.831 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000106181203 840672041 /nfs/dbraw/zinc/67/20/41/840672041.db2.gz JEWHUWQDGRNMDT-AWEZNQCLSA-N 0 0 396.322 3.552 10 0 GHAERN CC(=O)N(C)C1CCN(C(=O)c2oc3c(cccc3Br)c2C)CC1 ZINC000408174301 841736429 /nfs/dbraw/zinc/73/64/29/841736429.db2.gz IPWQISJIDGQINW-UHFFFAOYSA-N 0 0 393.281 3.587 10 0 GHAERN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408182369 841903544 /nfs/dbraw/zinc/90/35/44/841903544.db2.gz JMBTYSVNMALQBN-VBSBHUPXSA-N 0 0 391.943 3.644 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)sc1Cl ZINC000408296982 842146037 /nfs/dbraw/zinc/14/60/37/842146037.db2.gz FFFZUKMYPWPLSB-LLVKDONJSA-N 0 0 387.914 3.539 10 0 GHAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433740 842418463 /nfs/dbraw/zinc/41/84/63/842418463.db2.gz DYCFKTOVSZOHGY-LMVHVUTASA-N 0 0 382.888 3.613 10 0 GHAERN CC[C@@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)C[C@]2(CCOC2)O1 ZINC000408326109 842502135 /nfs/dbraw/zinc/50/21/35/842502135.db2.gz IXFIZAJFLYVXFI-ZMZPIMSZSA-N 0 0 383.275 3.885 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc3ccccc3[nH]c1=O)CCCC2 ZINC000279206567 842713812 /nfs/dbraw/zinc/71/38/12/842713812.db2.gz NITDGLCQPSFFMC-IBGZPJMESA-N 0 0 376.460 3.530 10 0 GHAERN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)/C=C\c2ccncn2)cc1 ZINC000588437649 842721592 /nfs/dbraw/zinc/72/15/92/842721592.db2.gz JOEPCMMKYIHWJE-OMCJBDSBSA-N 0 0 377.419 3.738 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000162692172 842840595 /nfs/dbraw/zinc/84/05/95/842840595.db2.gz JBZZDIVFLPUTBD-VBKZILBWSA-N 0 0 381.476 3.590 10 0 GHAERN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000247558375 842900120 /nfs/dbraw/zinc/90/01/20/842900120.db2.gz FRRKIMATOHZUGU-RTWAWAEBSA-N 0 0 395.551 3.576 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1 ZINC000330263688 843181301 /nfs/dbraw/zinc/18/13/01/843181301.db2.gz WWPHZSCGFOBPEM-OXQOHEQNSA-N 0 0 384.501 3.526 10 0 GHAERN C[C@H](CNS(=O)(=O)/C=C\c1cccc(Br)c1)c1nccs1 ZINC000588450804 843281250 /nfs/dbraw/zinc/28/12/50/843281250.db2.gz SUEZTPKPXATNMV-UIJKISKDSA-N 0 0 387.324 3.599 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C ZINC000588451899 843307742 /nfs/dbraw/zinc/30/77/42/843307742.db2.gz MLFMEUHYAYFNFW-FPLPWBNLSA-N 0 0 377.366 3.642 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000112307377 843351993 /nfs/dbraw/zinc/35/19/93/843351993.db2.gz SMPIFGOXEINIEJ-HUUCEWRRSA-N 0 0 390.455 3.505 10 0 GHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000112752535 843435145 /nfs/dbraw/zinc/43/51/45/843435145.db2.gz MSXDDJUDOWBJAK-LBPRGKRZSA-N 0 0 379.888 3.594 10 0 GHAERN Cc1c(C(=O)N2CCC(c3cnn(C)c3)CC2)cnn1-c1ccc(Cl)cc1 ZINC000329432715 861417958 /nfs/dbraw/zinc/41/79/58/861417958.db2.gz KZBDVFOVRSOXLV-UHFFFAOYSA-N 0 0 383.883 3.587 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)cc1 ZINC000330321141 843678026 /nfs/dbraw/zinc/67/80/26/843678026.db2.gz SCEZQTLGCJNBNX-JXFKEZNVSA-N 0 0 384.501 3.810 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1Nc1ccc(CC(N)=O)cc1 ZINC000246232910 844761538 /nfs/dbraw/zinc/76/15/38/844761538.db2.gz QMAITJCUSUUODU-GUDVDZBRSA-N 0 0 387.524 3.695 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)C12CCCC2 ZINC000332963755 844952151 /nfs/dbraw/zinc/95/21/51/844952151.db2.gz YJKXDXPHTPXCHV-DFQSSKMNSA-N 0 0 388.556 3.701 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000150923748 845083106 /nfs/dbraw/zinc/08/31/06/845083106.db2.gz JLTHVQNAIMXDED-MRXNPFEDSA-N 0 0 399.491 3.791 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1C(F)(F)F ZINC000151767985 845693497 /nfs/dbraw/zinc/69/34/97/845693497.db2.gz LNNBLKQELMXSKL-UHFFFAOYSA-N 0 0 396.413 3.614 10 0 GHAERN Cc1noc(C)c1-c1csc(=NCCc2ccccn2)n1[C@H]1CCCOC1 ZINC000588496865 846148456 /nfs/dbraw/zinc/14/84/56/846148456.db2.gz QAQLALIDTFNUCQ-KRWDZBQOSA-N 0 0 384.505 3.711 10 0 GHAERN O=C(c1cnc2sccn2c1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000052987493 846249798 /nfs/dbraw/zinc/24/97/98/846249798.db2.gz QCXINLOYNJPCHA-AWEZNQCLSA-N 0 0 396.497 3.733 10 0 GHAERN O=C(Nc1cccn(Cc2ccccc2)c1=O)N1CCC[C@H](c2nccs2)C1 ZINC000152493562 847195928 /nfs/dbraw/zinc/19/59/28/847195928.db2.gz PSGKPPRTRWEBQT-KRWDZBQOSA-N 0 0 394.500 3.765 10 0 GHAERN CC(=O)N1CCN(c2cccc(NC(=O)/C(C)=C\c3ccc(F)cc3)c2)CC1 ZINC000588537735 848011641 /nfs/dbraw/zinc/01/16/41/848011641.db2.gz NJEZPSZJMFPZCI-PEZBUJJGSA-N 0 0 381.451 3.536 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000153132498 848160807 /nfs/dbraw/zinc/16/08/07/848160807.db2.gz RETXGZHNBZKIBX-MRXNPFEDSA-N 0 0 397.519 3.706 10 0 GHAERN O=C(Nc1cc(F)cc(Cl)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000153150343 848177775 /nfs/dbraw/zinc/17/77/75/848177775.db2.gz UEKJEIOVOAZWTR-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN CC(C)(c1noc([C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000329653708 861915584 /nfs/dbraw/zinc/91/55/84/861915584.db2.gz DXROVVFTHJZMSA-ROUUACIJSA-N 0 0 387.524 3.836 10 0 GHAERN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C/c3cocn3)C2=O)cc1 ZINC000588561390 848787973 /nfs/dbraw/zinc/78/79/73/848787973.db2.gz DTCTWKXNDVJXHS-ODLFYWEKSA-N 0 0 388.379 3.579 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc([C@@H](C)N4CCOCC4)cc3)CCO2)o1 ZINC000154051998 849175379 /nfs/dbraw/zinc/17/53/79/849175379.db2.gz IHDLLVXMTUFISS-DYESRHJHSA-N 0 0 399.491 3.587 10 0 GHAERN CC(C)[C@@H](NC(=O)C=Cc1cccc2ccccc12)c1nc(-c2nc[nH]n2)no1 ZINC000154405925 849288828 /nfs/dbraw/zinc/28/88/28/849288828.db2.gz YNPRDXQNEYTGCC-DOJUMQAQSA-N 0 0 388.431 3.535 10 0 GHAERN CCn1c([C@@H]2COCCO2)nnc1N1CCc2cc(Cl)c(Cl)cc2[C@@H]1C ZINC000329672137 862003334 /nfs/dbraw/zinc/00/33/34/862003334.db2.gz SJAZZYCUKXMTAM-ZBEGNZNMSA-N 0 0 397.306 3.816 10 0 GHAERN CN(C(=O)/C=C\c1ccnc2ccccc12)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000588574339 849549845 /nfs/dbraw/zinc/54/98/45/849549845.db2.gz DOLBVZCQKSKEMQ-SSSWZJSRSA-N 0 0 385.467 3.508 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155634700 849587546 /nfs/dbraw/zinc/58/75/46/849587546.db2.gz OWFWCSUWLZGYRZ-QGZVFWFLSA-N 0 0 387.553 3.614 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1CCN(c2cccs2)CC1 ZINC000155931869 849702726 /nfs/dbraw/zinc/70/27/26/849702726.db2.gz GCAIBCILDIGAEE-HXUWFJFHSA-N 0 0 395.528 3.797 10 0 GHAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329691671 862092769 /nfs/dbraw/zinc/09/27/69/862092769.db2.gz ZTOYLIDFMDSJDO-YPMHNXCESA-N 0 0 392.381 3.910 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc(Cl)c(N)c(Cl)c3)CC2)nc1 ZINC000164038911 851217770 /nfs/dbraw/zinc/21/77/70/851217770.db2.gz OAQVJIHVIXGUKS-UHFFFAOYSA-N 0 0 379.291 3.678 10 0 GHAERN O=C(CNC(=O)c1c[nH]nc1-c1ccc(F)cc1)Nc1cccc2ccccc21 ZINC000101676632 851811949 /nfs/dbraw/zinc/81/19/49/851811949.db2.gz JQHSWCBSABDGKN-UHFFFAOYSA-N 0 0 388.402 3.738 10 0 GHAERN Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N(C)C[C@H]1CCCO1 ZINC000101691238 851836376 /nfs/dbraw/zinc/83/63/76/851836376.db2.gz UVXYESFRUCYULQ-MRXNPFEDSA-N 0 0 392.297 3.503 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1F ZINC000101748287 851866952 /nfs/dbraw/zinc/86/69/52/851866952.db2.gz UBDBIZWRKWLPRG-CQSZACIVSA-N 0 0 379.476 3.629 10 0 GHAERN CCCCNC(=O)C1(NC(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)CCCCC1 ZINC000101841948 851951172 /nfs/dbraw/zinc/95/11/72/851951172.db2.gz SLFXUHHQYAHMDN-LPHOPBHVSA-N 0 0 399.535 3.630 10 0 GHAERN CCCC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H](c2ccco2)c2ccccc2)C1 ZINC000101976907 852062533 /nfs/dbraw/zinc/06/25/33/852062533.db2.gz IDVIBTZUAPXENK-LAUBAEHRSA-N 0 0 383.492 3.707 10 0 GHAERN Cc1ccccc1C(C)(C)CNC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000102026504 852128094 /nfs/dbraw/zinc/12/80/94/852128094.db2.gz LCRCCFMXMCESHZ-GOSISDBHSA-N 0 0 387.568 3.855 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329846356 862368772 /nfs/dbraw/zinc/36/87/72/862368772.db2.gz YFBNCOIOBZRJRX-NNWRFLSQSA-N 0 0 396.535 3.610 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC3(c4ccc(F)cc4)CCC3)C2)no1 ZINC000171364192 852618940 /nfs/dbraw/zinc/61/89/40/852618940.db2.gz AJVGZYUFGFAWKK-INIZCTEOSA-N 0 0 386.471 3.603 10 0 GHAERN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125268881 852948244 /nfs/dbraw/zinc/94/82/44/852948244.db2.gz MBKCLBWZEJREQG-SJLPKXTDSA-N 0 0 394.519 3.682 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1ccccc1F ZINC000333956426 853269161 /nfs/dbraw/zinc/26/91/61/853269161.db2.gz GYUQCHFBNDNCAS-WWHWOPLRSA-N 0 0 382.483 3.726 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)NC2CCC(C(F)(F)F)CC2)[C@@H]1O ZINC000333957092 853270134 /nfs/dbraw/zinc/27/01/34/853270134.db2.gz HSDAEBYRMZGFRR-WEJVVEKQSA-N 0 0 392.443 3.741 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CN(C(=O)C3(C4CCCCC4)CCCCC3)CCO2)n1 ZINC000329977332 862472894 /nfs/dbraw/zinc/47/28/94/862472894.db2.gz GAHRMCJZOAZCQW-FQEVSTJZSA-N 0 0 388.556 3.653 10 0 GHAERN COc1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@H](C1CCCCC1)C2 ZINC000330004009 862498380 /nfs/dbraw/zinc/49/83/80/862498380.db2.gz ATXLCYLYCFHKNS-UFYCRDLUSA-N 0 0 386.492 3.612 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)[nH]1 ZINC000328760808 854531465 /nfs/dbraw/zinc/53/14/65/854531465.db2.gz XNCMFOCHNCNYNP-DZKIICNBSA-N 0 0 378.398 3.989 10 0 GHAERN O=C1CC[C@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C2(CCC2)N1 ZINC000328731157 854539512 /nfs/dbraw/zinc/53/95/12/854539512.db2.gz GKGFMXILABECSV-AWEZNQCLSA-N 0 0 384.910 3.875 10 0 GHAERN O=C([C@@H]1CCCC(F)(F)C1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328806205 854543426 /nfs/dbraw/zinc/54/34/26/854543426.db2.gz LXXIAFZJIARVLH-SPYBWZPUSA-N 0 0 379.451 3.728 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)no1 ZINC000328893510 854599333 /nfs/dbraw/zinc/59/93/33/854599333.db2.gz AGUYUXDLANWKPV-LLVKDONJSA-N 0 0 376.819 3.747 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1cc3c(s1)-c1ccccc1OC3)C2 ZINC000328938714 854609466 /nfs/dbraw/zinc/60/94/66/854609466.db2.gz KFAFVJCNRCVEFB-UHFFFAOYSA-N 0 0 380.473 3.678 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(c2ccnc(N[C@H]3CCCO[C@H]3C(C)C)n2)C1 ZINC000330126022 862595822 /nfs/dbraw/zinc/59/58/22/862595822.db2.gz IPAWIQBCHWPIQZ-LQWHRVPQSA-N 0 0 398.555 3.693 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)CC2)on1 ZINC000127505512 854999343 /nfs/dbraw/zinc/99/93/43/854999343.db2.gz UKLYULXHPXIZBJ-FQEVSTJZSA-N 0 0 382.508 3.524 10 0 GHAERN Cc1nc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1Br ZINC000128782395 855132449 /nfs/dbraw/zinc/13/24/49/855132449.db2.gz RFFYJUSSTVYEHK-ZIAGYGMSSA-N 0 0 378.274 3.654 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000190024661 855407888 /nfs/dbraw/zinc/40/78/88/855407888.db2.gz NZRLRZOBIYTZCU-RDJZCZTQSA-N 0 0 395.484 3.807 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCCc3c(O)cccc32)c1Br ZINC000190286100 855455184 /nfs/dbraw/zinc/45/51/84/855455184.db2.gz QFMLNUQTHRPXLK-LBPRGKRZSA-N 0 0 378.270 3.809 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C[C@@H]1C ZINC000191052946 855563370 /nfs/dbraw/zinc/56/33/70/855563370.db2.gz INYZKHXZAHXWIF-YOEHRIQHSA-N 0 0 380.916 3.749 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)n1 ZINC000330285117 862722533 /nfs/dbraw/zinc/72/25/33/862722533.db2.gz YJVLLHNKWMBOJE-HIFRSBDPSA-N 0 0 389.502 3.504 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCO2)o1 ZINC000165806566 856100014 /nfs/dbraw/zinc/10/00/14/856100014.db2.gz YTUSJTYYRIPRSU-IBGZPJMESA-N 0 0 380.448 3.996 10 0 GHAERN Cc1ccc(C2N=NC(=S)N2CC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000030996421 856136552 /nfs/dbraw/zinc/13/65/52/856136552.db2.gz RSDXCLJKVWOBOX-UHFFFAOYSA-N 0 0 390.512 3.858 10 0 GHAERN CC(C)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000190817235 856232877 /nfs/dbraw/zinc/23/28/77/856232877.db2.gz TYXCOUBPUTWBLK-QGZVFWFLSA-N 0 0 388.537 3.654 10 0 GHAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218501 856969712 /nfs/dbraw/zinc/96/97/12/856969712.db2.gz LUFXBIJFTZCZHY-AZUAARDMSA-N 0 0 394.519 3.574 10 0 GHAERN O=C(CSc1ccncc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219130 856979102 /nfs/dbraw/zinc/97/91/02/856979102.db2.gz CNQJPVFXLWMGPH-QGZVFWFLSA-N 0 0 378.501 3.970 10 0 GHAERN Cc1csc(-c2cccc(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)c2)n1 ZINC000156681061 857794470 /nfs/dbraw/zinc/79/44/70/857794470.db2.gz JEACXDIRPNOCCX-INIZCTEOSA-N 0 0 381.505 3.578 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000066066962 857901493 /nfs/dbraw/zinc/90/14/93/857901493.db2.gz XSPLLLRONOSSKZ-UHFFFAOYSA-N 0 0 390.549 3.661 10 0 GHAERN CC[C@H](C)CC(=O)N1CCc2c(cnc(C)c2CNC(=O)c2ccoc2C)C1 ZINC000011913191 858005726 /nfs/dbraw/zinc/00/57/26/858005726.db2.gz ANWPVIDRIZKCFK-AWEZNQCLSA-N 0 0 383.492 3.542 10 0 GHAERN Cc1ccc2[nH]c3c(c2c1)C[C@H](N1C(=O)[C@@H]2C[C@@H]4CCCC[C@H]4N2C1=O)CC3 ZINC000330353529 863059300 /nfs/dbraw/zinc/05/93/00/863059300.db2.gz OOKNNQYCBTUXMH-RSMHBEIYSA-N 0 0 377.488 3.929 10 0 GHAERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc(Br)cc1Br ZINC000136341928 859504594 /nfs/dbraw/zinc/50/45/94/859504594.db2.gz PROYNAAOVHCSBK-XVKPBYJWSA-N 0 0 378.064 3.511 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1C ZINC000161577770 859727250 /nfs/dbraw/zinc/72/72/50/859727250.db2.gz JXMISMUAWXMPAD-RBUKOAKNSA-N 0 0 381.524 3.880 10 0 GHAERN NC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000024385301 860322657 /nfs/dbraw/zinc/32/26/57/860322657.db2.gz AAQQVUAZYPUAAA-QGZVFWFLSA-N 0 0 394.500 3.832 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000172605960 860435308 /nfs/dbraw/zinc/43/53/08/860435308.db2.gz GLJVBZCDIGWUGB-IAGOWNOFSA-N 0 0 387.915 3.916 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@]34CCC(=O)N3c3ccccc3S4)C2)n1 ZINC000173064918 860435819 /nfs/dbraw/zinc/43/58/19/860435819.db2.gz AZZXDKGJTRTMPX-XOBRGWDASA-N 0 0 399.541 3.787 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 ZINC000173074024 860695818 /nfs/dbraw/zinc/69/58/18/860695818.db2.gz UYBZSYKVTPLCHE-RBUKOAKNSA-N 0 0 397.544 3.710 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000103574673 881574727 /nfs/dbraw/zinc/57/47/27/881574727.db2.gz BPSPRJOCZLBKRT-UHFFFAOYSA-N 0 0 398.454 3.601 10 0 GHAERN Cc1nnc([C@H]2CN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CCO2)[nH]1 ZINC000173085610 860748947 /nfs/dbraw/zinc/74/89/47/860748947.db2.gz GCEUXEHFUMVVKM-LSDHHAIUSA-N 0 0 388.537 3.539 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000102898022 860841119 /nfs/dbraw/zinc/84/11/19/860841119.db2.gz JAGLOQPRHWOCJD-SFHVURJKSA-N 0 0 386.517 3.961 10 0 GHAERN COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N3CCCC3(C)C)cc2)c1C ZINC000102919520 860902081 /nfs/dbraw/zinc/90/20/81/860902081.db2.gz UDSRENKRIHKEGK-UHFFFAOYSA-N 0 0 383.492 3.609 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3cccc(C(=O)N(C)C)c3)o2)cc1 ZINC000102947088 860913300 /nfs/dbraw/zinc/91/33/00/860913300.db2.gz DYVPZYJXSLYYMY-MUUNZHRXSA-N 0 0 398.484 3.501 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000102979385 860928555 /nfs/dbraw/zinc/92/85/55/860928555.db2.gz BQHXREGSJJIFDN-KUHUBIRLSA-N 0 0 399.528 3.784 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000102990037 860933631 /nfs/dbraw/zinc/93/36/31/860933631.db2.gz DWBWZSWAHUKRFY-KURKYZTESA-N 0 0 397.519 3.514 10 0 GHAERN CO[C@@H]1C[C@@H](c2nnc(C3CC3)[nH]2)N(C(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000329028183 860956812 /nfs/dbraw/zinc/95/68/12/860956812.db2.gz OTVWVHZWAGUZTI-AEOSMXMGSA-N 0 0 384.524 3.577 10 0 GHAERN O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332977130 863328985 /nfs/dbraw/zinc/32/89/85/863328985.db2.gz WQZBLRMBXSYZCR-YLJYHZDGSA-N 0 0 392.455 3.729 10 0 GHAERN O=C(NCc1ccc(OCC2CC2)nc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103181473 863903522 /nfs/dbraw/zinc/90/35/22/863903522.db2.gz SFXIHROTWWSUQI-JOCHJYFZSA-N 0 0 388.471 3.854 10 0 GHAERN COc1cc(NC(=O)NCCc2c[nH]c3cccc(C)c23)ccc1NC(C)=O ZINC000103235686 863918572 /nfs/dbraw/zinc/91/85/72/863918572.db2.gz JEISHONQYKUYCE-UHFFFAOYSA-N 0 0 380.448 3.808 10 0 GHAERN COc1ccc(C2(NC(=O)NC3CCN(c4ccccn4)CC3)CCCC2)cc1 ZINC000103306664 863950188 /nfs/dbraw/zinc/95/01/88/863950188.db2.gz KOLCOIABHBQBMI-UHFFFAOYSA-N 0 0 394.519 3.828 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N[C@H](c3nc(C4CC4)no3)C(C)C)c21 ZINC000103314761 863955131 /nfs/dbraw/zinc/95/51/31/863955131.db2.gz OOQSOZAYDPPMFK-SFHVURJKSA-N 0 0 381.480 3.976 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103616714 864032001 /nfs/dbraw/zinc/03/20/01/864032001.db2.gz GLJVKSYBRNFWMU-UHFFFAOYSA-N 0 0 378.476 3.519 10 0 GHAERN C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000103734945 864075025 /nfs/dbraw/zinc/07/50/25/864075025.db2.gz HRTSJFDTMOLMEC-SNVBAGLBSA-N 0 0 395.772 3.826 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000104460168 864326389 /nfs/dbraw/zinc/32/63/89/864326389.db2.gz YHNXLXUITYBDSZ-UHFFFAOYSA-N 0 0 397.450 3.826 10 0 GHAERN CC(C)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)c2cnn(C(C)C)c2n1 ZINC000104858134 864669452 /nfs/dbraw/zinc/66/94/52/864669452.db2.gz PLIGSRGUFGEKPB-HNNXBMFYSA-N 0 0 394.475 3.705 10 0 GHAERN Cn1ccnc1C(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 ZINC000104831174 864670794 /nfs/dbraw/zinc/67/07/94/864670794.db2.gz SEYUXMVIUAVPMO-UHFFFAOYSA-N 0 0 391.471 3.966 10 0 GHAERN Cc1ccccc1-n1cnnc1SCc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000104931941 864725121 /nfs/dbraw/zinc/72/51/21/864725121.db2.gz FPRKGLKXAWMDKY-UHFFFAOYSA-N 0 0 389.440 3.851 10 0 GHAERN CCc1cc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc(-c2ccccn2)n1 ZINC000301172348 865204932 /nfs/dbraw/zinc/20/49/32/865204932.db2.gz KOFCJPYWOIPTPV-SFHVURJKSA-N 0 0 389.507 3.760 10 0 GHAERN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](c2nccs2)C1 ZINC000173493221 865922053 /nfs/dbraw/zinc/92/20/53/865922053.db2.gz VZIQNLMPJPAZBQ-XJKSGUPXSA-N 0 0 389.908 3.556 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)CCO2)cn1 ZINC000189659391 881964291 /nfs/dbraw/zinc/96/42/91/881964291.db2.gz IRPSOSSEFQZZGC-UXHICEINSA-N 0 0 382.508 3.700 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3cc(Br)cs3)C2)c1 ZINC000111828552 866705833 /nfs/dbraw/zinc/70/58/33/866705833.db2.gz NYCREOHJZAEQGA-CYBMUJFWSA-N 0 0 383.315 3.562 10 0 GHAERN O=C(NCC1(c2ccc(F)cc2)CCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000111827855 866705929 /nfs/dbraw/zinc/70/59/29/866705929.db2.gz KTUDPQFXSQWQFV-QGZVFWFLSA-N 0 0 389.496 3.877 10 0 GHAERN CC(C)[C@@H](C)CC(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112678824 866735899 /nfs/dbraw/zinc/73/58/99/866735899.db2.gz UYBKZAGFLQITFO-GJZGRUSLSA-N 0 0 376.526 3.686 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)cc1OCC ZINC000171245077 882090529 /nfs/dbraw/zinc/09/05/29/882090529.db2.gz OZJMUOYHFULTNH-SXAWMYDMSA-N 0 0 399.491 3.670 10 0 GHAERN Cc1ccc(NC(=O)CSCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171614560 882116752 /nfs/dbraw/zinc/11/67/52/882116752.db2.gz WNWAFQJNRBTIMJ-UHFFFAOYSA-N 0 0 397.544 3.543 10 0 GHAERN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000171643500 882120358 /nfs/dbraw/zinc/12/03/58/882120358.db2.gz FARBJFKHMMNACX-ZDUSSCGKSA-N 0 0 378.881 3.516 10 0 GHAERN CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171808058 882162328 /nfs/dbraw/zinc/16/23/28/882162328.db2.gz OEIJLBTXKOHNBW-UHFFFAOYSA-N 0 0 394.519 3.840 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000172054630 882165286 /nfs/dbraw/zinc/16/52/86/882165286.db2.gz BBRGJHBNRQQITQ-BTYIYWSLSA-N 0 0 387.439 3.515 10 0 GHAERN CCOc1ccc(/C=C\C(=O)N[C@H](c2noc(C)n2)c2ccccc2OC)cc1 ZINC000172089327 882168887 /nfs/dbraw/zinc/16/88/87/882168887.db2.gz ILNJLCMXXLBRAS-SZRHCGQDSA-N 0 0 393.443 3.704 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)n1 ZINC000172132027 882171569 /nfs/dbraw/zinc/17/15/69/882171569.db2.gz CEHBAYJTWWLSRN-IRLDBZIGSA-N 0 0 394.519 3.578 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)NC1(c2ccccc2)CCCC1 ZINC000172221075 882188019 /nfs/dbraw/zinc/18/80/19/882188019.db2.gz GRUYULIIWAIORZ-GOSISDBHSA-N 0 0 384.501 3.674 10 0 GHAERN O=C(NCC1(c2cccc(F)c2)CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172424762 882275461 /nfs/dbraw/zinc/27/54/61/882275461.db2.gz LGBYPYPJHJOHMQ-UHFFFAOYSA-N 0 0 386.492 3.587 10 0 GHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1CCC(c2ccnn2CCO)CC1 ZINC000172453214 882277350 /nfs/dbraw/zinc/27/73/50/882277350.db2.gz DACGQSGCHMESDD-UHFFFAOYSA-N 0 0 390.487 3.539 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c(OC)c1 ZINC000172636105 882281300 /nfs/dbraw/zinc/28/13/00/882281300.db2.gz FSUDAHRDCQRAPO-RXVVDRJESA-N 0 0 398.503 3.717 10 0 GHAERN COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000172634988 882281609 /nfs/dbraw/zinc/28/16/09/882281609.db2.gz YABDITPITJCMEV-WIYYLYMNSA-N 0 0 398.503 3.717 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C1CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172549498 882294519 /nfs/dbraw/zinc/29/45/19/882294519.db2.gz WDDDMCOIOZBTKQ-LJQANCHMSA-N 0 0 382.529 3.738 10 0 GHAERN O=C(N[C@H]1CCSc2c(F)cccc21)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172707385 882300719 /nfs/dbraw/zinc/30/07/19/882300719.db2.gz DXUAUBSROAVQLV-ROUUACIJSA-N 0 0 399.491 3.569 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000172732809 882304886 /nfs/dbraw/zinc/30/48/86/882304886.db2.gz IMPKWGIJQGSGNM-CQSZACIVSA-N 0 0 388.899 3.688 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1 ZINC000172810503 882309561 /nfs/dbraw/zinc/30/95/61/882309561.db2.gz MREGUSAKPZWQTB-FQEVSTJZSA-N 0 0 397.494 3.977 10 0 GHAERN C[C@@H](OC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)c1ccc(Cl)s1 ZINC000172793039 882308777 /nfs/dbraw/zinc/30/87/77/882308777.db2.gz PXPSMMZYXREOER-OCCSQVGLSA-N 0 0 378.881 3.953 10 0 GHAERN Cc1ccc2cccc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c2n1 ZINC000172822376 882311009 /nfs/dbraw/zinc/31/10/09/882311009.db2.gz CXDKUSOGQCUBND-UHFFFAOYSA-N 0 0 379.504 3.798 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC3(CC3)c3ccccc32)nn1-c1cccc(Cl)c1 ZINC000172866172 882314894 /nfs/dbraw/zinc/31/48/94/882314894.db2.gz BOCCEYCEMXNYTO-UHFFFAOYSA-N 0 0 391.858 3.886 10 0 GHAERN CC(C)(C)c1ccc2c(c1)CCN2C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172927640 882325129 /nfs/dbraw/zinc/32/51/29/882325129.db2.gz GVBWDELIUOZJGD-UHFFFAOYSA-N 0 0 391.515 3.821 10 0 GHAERN Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1OC(F)F ZINC000173040617 882332820 /nfs/dbraw/zinc/33/28/20/882332820.db2.gz WEESYLXXBNJPSE-MRXNPFEDSA-N 0 0 389.402 3.625 10 0 GHAERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000173043093 882333505 /nfs/dbraw/zinc/33/35/05/882333505.db2.gz VLTICAQXNLQKHN-GFCCVEGCSA-N 0 0 392.550 3.533 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)n1 ZINC000173164356 882336512 /nfs/dbraw/zinc/33/65/12/882336512.db2.gz DFCYIQIIDMKPED-CQSZACIVSA-N 0 0 398.488 3.516 10 0 GHAERN C[C@H](NC(=O)NCC[C@H]1c2ccccc2NC1=O)c1nc(C2CCCCC2)no1 ZINC000173463031 882362236 /nfs/dbraw/zinc/36/22/36/882362236.db2.gz AQCCFAAOVHLJCS-BBRMVZONSA-N 0 0 397.479 3.604 10 0 GHAERN CCCN1Cc2cccc(NC(=O)c3cccc(N4CCNC4=O)c3C)c2C1 ZINC000173465684 882363730 /nfs/dbraw/zinc/36/37/30/882363730.db2.gz LYQKTMHTYLBKJL-UHFFFAOYSA-N 0 0 378.476 3.503 10 0 GHAERN O=S(=O)(c1sccc1Br)N1CCC[C@@H](c2nccs2)C1 ZINC000114741865 870128261 /nfs/dbraw/zinc/12/82/61/870128261.db2.gz AYEHVCHVOCXFFE-SECBINFHSA-N 0 0 393.353 3.535 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000186175897 870228291 /nfs/dbraw/zinc/22/82/91/870228291.db2.gz UGVSVGYRTSONCF-HNNXBMFYSA-N 0 0 393.896 3.923 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(Cc3ncc(-c4ccccc4Cl)o3)CCO2)n1 ZINC000173696326 882392144 /nfs/dbraw/zinc/39/21/44/882392144.db2.gz OHEBXKFLOVLJCX-MRXNPFEDSA-N 0 0 386.883 3.709 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2cccn2)c1 ZINC000173704385 882394635 /nfs/dbraw/zinc/39/46/35/882394635.db2.gz FIXWEMRUJWDIRQ-RDJZCZTQSA-N 0 0 381.505 3.979 10 0 GHAERN CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000173803751 882406556 /nfs/dbraw/zinc/40/65/56/882406556.db2.gz XFGNGGFPODHDQB-MAUKXSAKSA-N 0 0 394.479 3.501 10 0 GHAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CCC(Nc2ccccc2F)CC1 ZINC000174076029 882422185 /nfs/dbraw/zinc/42/21/85/882422185.db2.gz HOSRSDIXMYRLMC-UHFFFAOYSA-N 0 0 395.478 3.746 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114807470 870627007 /nfs/dbraw/zinc/62/70/07/870627007.db2.gz HSTMJCYRTDWCGO-INIZCTEOSA-N 0 0 384.505 3.791 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3Br)CC2)nc1 ZINC000174136616 882430368 /nfs/dbraw/zinc/43/03/68/882430368.db2.gz QJSQYFLPMZXJBF-UHFFFAOYSA-N 0 0 389.297 3.943 10 0 GHAERN O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114826017 870752685 /nfs/dbraw/zinc/75/26/85/870752685.db2.gz JOWSYYVIURTXDV-HNNXBMFYSA-N 0 0 385.468 3.557 10 0 GHAERN COC(=O)c1cc2ccccc2cc1NC(=O)c1cccc(C(=O)N(C)C)c1 ZINC000102991485 870892449 /nfs/dbraw/zinc/89/24/49/870892449.db2.gz SIRIACPUALRQEC-UHFFFAOYSA-N 0 0 376.412 3.581 10 0 GHAERN Cc1c(Cl)cccc1S(=O)(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000103161924 871414125 /nfs/dbraw/zinc/41/41/25/871414125.db2.gz GFERJDMOAHNXQP-UHFFFAOYSA-N 0 0 379.865 3.652 10 0 GHAERN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ncncc1Cl ZINC000175119282 882526684 /nfs/dbraw/zinc/52/66/84/882526684.db2.gz ACCQUKBFCSSGKJ-UHFFFAOYSA-N 0 0 382.855 3.676 10 0 GHAERN CCS[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175272079 882563018 /nfs/dbraw/zinc/56/30/18/882563018.db2.gz CDVHTELDVWMULX-HZPDHXFCSA-N 0 0 380.579 3.781 10 0 GHAERN CC(C)Cn1ccnc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000175467920 882583380 /nfs/dbraw/zinc/58/33/80/882583380.db2.gz UYOZCLKXIMCYOM-UHFFFAOYSA-N 0 0 381.480 3.770 10 0 GHAERN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(C)nc2c1cnn2C ZINC000175511521 882591317 /nfs/dbraw/zinc/59/13/17/882591317.db2.gz PHYPLGBUTZAKIH-IBGZPJMESA-N 0 0 388.475 3.624 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175511530 882591691 /nfs/dbraw/zinc/59/16/91/882591691.db2.gz IDFSQHCSEHDSDJ-KRZKXXONSA-N 0 0 383.410 3.905 10 0 GHAERN O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175520056 882593041 /nfs/dbraw/zinc/59/30/41/882593041.db2.gz IYCJQWHGSPVXLE-GBESFXJTSA-N 0 0 397.437 3.996 10 0 GHAERN Cc1ccc2c(CC(=O)NCc3ccc(N4CCCCC4=O)cc3)c[nH]c2c1 ZINC000101818207 872284346 /nfs/dbraw/zinc/28/43/46/872284346.db2.gz AZLMBFGJMXLNAG-UHFFFAOYSA-N 0 0 375.472 3.852 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000175751565 882621185 /nfs/dbraw/zinc/62/11/85/882621185.db2.gz UKQYCDRLDNXWEX-OALUTQOASA-N 0 0 396.535 3.514 10 0 GHAERN Cc1cccc([C@@H](NC(=O)NCc2cccnc2-n2cncn2)C(C)(C)C)c1 ZINC000175759808 882622968 /nfs/dbraw/zinc/62/29/68/882622968.db2.gz ADVWYYCIUNPXAR-GOSISDBHSA-N 0 0 378.480 3.557 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)ccc1F ZINC000175817316 882636426 /nfs/dbraw/zinc/63/64/26/882636426.db2.gz VXVNTDGPUYWLCD-GDBMZVCRSA-N 0 0 375.404 3.506 10 0 GHAERN COc1cccc(-c2ccc(CNC(=O)N3CCC(n4cncn4)CC3)cc2)c1 ZINC000176022619 882658222 /nfs/dbraw/zinc/65/82/22/882658222.db2.gz OLNWKJIVEJKFFH-UHFFFAOYSA-N 0 0 391.475 3.500 10 0 GHAERN CC(C)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000176086594 882664560 /nfs/dbraw/zinc/66/45/60/882664560.db2.gz BPDNLTGBHPFOCZ-LSDHHAIUSA-N 0 0 384.517 3.758 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)NCCCCOCc3ccccc3)CC2)nc1 ZINC000176145313 882671208 /nfs/dbraw/zinc/67/12/08/882671208.db2.gz XMXVOZAOISZLFD-UHFFFAOYSA-N 0 0 396.535 3.655 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N(Cc1cccc(O)c1)CC1CC1 ZINC000115159424 873049042 /nfs/dbraw/zinc/04/90/42/873049042.db2.gz ZHXXOJDORUHSGC-LJQANCHMSA-N 0 0 382.485 3.634 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC[C@H]1Cn1ccnc1 ZINC000176346902 882681225 /nfs/dbraw/zinc/68/12/25/882681225.db2.gz AMBKGBZJHWVXDC-FQEVSTJZSA-N 0 0 395.507 3.596 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000176479530 882696647 /nfs/dbraw/zinc/69/66/47/882696647.db2.gz JVLAAXGGAGXNKX-YOEHRIQHSA-N 0 0 384.480 3.985 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000176476068 882696730 /nfs/dbraw/zinc/69/67/30/882696730.db2.gz GZHSXUZLLVVJRI-LJQANCHMSA-N 0 0 394.454 3.532 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000176627439 882720642 /nfs/dbraw/zinc/72/06/42/882720642.db2.gz HXCNBWFABISMMK-UHFFFAOYSA-N 0 0 390.443 3.591 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000102695631 873463442 /nfs/dbraw/zinc/46/34/42/873463442.db2.gz GCCMSJAXWGYTPX-QGZVFWFLSA-N 0 0 397.519 3.983 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177007526 882725999 /nfs/dbraw/zinc/72/59/99/882725999.db2.gz UDNRPMBRQUCFTK-AWEZNQCLSA-N 0 0 382.493 3.833 10 0 GHAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000176783012 882733804 /nfs/dbraw/zinc/73/38/04/882733804.db2.gz KRMLJHUHQUYTLJ-MRXNPFEDSA-N 0 0 390.439 3.592 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000176788402 882733889 /nfs/dbraw/zinc/73/38/89/882733889.db2.gz APRDEWVPLDIOIV-YVWYTEFXSA-N 0 0 390.439 3.867 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)C3(O)CCCC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102792012 873586612 /nfs/dbraw/zinc/58/66/12/873586612.db2.gz YMTXKNUDYBYZKW-BETUJISGSA-N 0 0 386.414 3.563 10 0 GHAERN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000017917538 873598765 /nfs/dbraw/zinc/59/87/65/873598765.db2.gz DMVGGSZULALKPX-UHFFFAOYSA-N 0 0 388.870 3.990 10 0 GHAERN Cc1csc([C@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)C2CC2)n1 ZINC000176855836 882744188 /nfs/dbraw/zinc/74/41/88/882744188.db2.gz IDWBQZRJCMOKHB-GOSISDBHSA-N 0 0 385.537 3.574 10 0 GHAERN CCOc1cc(C)ccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000176919208 882750389 /nfs/dbraw/zinc/75/03/89/882750389.db2.gz XIXGKWUIZYKUPD-UHFFFAOYSA-N 0 0 398.478 3.701 10 0 GHAERN Cc1cccc(-c2nnc(COC(=O)c3cccc(NC(=O)[C@H]4C[C@H]4C)c3)o2)c1 ZINC000102841488 873710503 /nfs/dbraw/zinc/71/05/03/873710503.db2.gz YGGAGBVZPFRUBL-KDOFPFPSSA-N 0 0 391.427 3.997 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CC[C@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418394 882796383 /nfs/dbraw/zinc/79/63/83/882796383.db2.gz CAQDPOFURDESAZ-HNNXBMFYSA-N 0 0 389.521 3.523 10 0 GHAERN O=C(c1cccc(OC(F)(F)F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177949636 882851246 /nfs/dbraw/zinc/85/12/46/882851246.db2.gz DFBABSKDEHSXOA-UHFFFAOYSA-N 0 0 398.425 3.840 10 0 GHAERN O=C(OCc1cnc(-c2ccccc2)s1)c1ccc(-n2cnnn2)cc1Cl ZINC000105513064 875315104 /nfs/dbraw/zinc/31/51/04/875315104.db2.gz JHRZKPNXKRXUJW-UHFFFAOYSA-N 0 0 397.847 3.796 10 0 GHAERN CNC(=O)CCCN(C)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000178795790 882921044 /nfs/dbraw/zinc/92/10/44/882921044.db2.gz CMZWHIKQVOOJMQ-KRWDZBQOSA-N 0 0 379.913 3.659 10 0 GHAERN Cc1cc(N(C)C)cc(C)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178631115 882927040 /nfs/dbraw/zinc/92/70/40/882927040.db2.gz OHCBRGFFWATXDA-UHFFFAOYSA-N 0 0 397.494 3.999 10 0 GHAERN Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000178931756 882937922 /nfs/dbraw/zinc/93/79/22/882937922.db2.gz QLTDOKRTWPWZGK-QGZVFWFLSA-N 0 0 392.507 3.824 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCCc2ccccc2)c2ccccc2F)no1 ZINC000178892281 882963148 /nfs/dbraw/zinc/96/31/48/882963148.db2.gz ZJNFRQOOZYFSKU-LJQANCHMSA-N 0 0 382.439 3.881 10 0 GHAERN CCN(CCc1ccccc1)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000178890127 882960952 /nfs/dbraw/zinc/96/09/52/882960952.db2.gz LWUVLTAUPYPYCM-IBGZPJMESA-N 0 0 382.439 3.881 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1c(C)noc1C ZINC000179395577 882969003 /nfs/dbraw/zinc/96/90/03/882969003.db2.gz KGSNJAQOOYAGBQ-GOSISDBHSA-N 0 0 390.528 3.567 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000179371727 882965963 /nfs/dbraw/zinc/96/59/63/882965963.db2.gz QWOOGVOPFUQMOX-UHFFFAOYSA-N 0 0 381.457 3.894 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3cccc(N4CCCC4=O)c3)CCO2)o1 ZINC000179186305 882977988 /nfs/dbraw/zinc/97/79/88/882977988.db2.gz OXSKFDOGSVQDLT-OXQOHEQNSA-N 0 0 397.475 3.559 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC(n3ccnc3)CC2)ccc1OC(F)F ZINC000120349833 875943462 /nfs/dbraw/zinc/94/34/62/875943462.db2.gz WDMMYTICMHVETD-GQCTYLIASA-N 0 0 391.418 3.760 10 0 GHAERN COc1ccc(CCCC(=O)N2CCC(Cc3ccccn3)CC2)c(OC)c1 ZINC000179252028 882984142 /nfs/dbraw/zinc/98/41/42/882984142.db2.gz CSPOGSIJJZCVPQ-UHFFFAOYSA-N 0 0 382.504 3.903 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1cccc(F)c1F ZINC000179606274 883014340 /nfs/dbraw/zinc/01/43/40/883014340.db2.gz WWFJXGWLPPCVLO-KBPBESRZSA-N 0 0 385.418 3.658 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000180456895 883059460 /nfs/dbraw/zinc/05/94/60/883059460.db2.gz GBNCAUKBKKTGAC-INIZCTEOSA-N 0 0 394.504 3.829 10 0 GHAERN Cc1c(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cccc1N(C)C ZINC000180191805 883065615 /nfs/dbraw/zinc/06/56/15/883065615.db2.gz UHCHIYQFNWLZGM-UHFFFAOYSA-N 0 0 386.521 3.503 10 0 GHAERN Cc1nnc([C@@H](NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000180242828 883069758 /nfs/dbraw/zinc/06/97/58/883069758.db2.gz QPNJBYIEULUMFA-DJJJIMSYSA-N 0 0 396.878 3.881 10 0 GHAERN Cn1ccnc1[C@@H](NCc1cccnc1-n1ccnc1)c1ccccc1Cl ZINC000180586147 883082480 /nfs/dbraw/zinc/08/24/80/883082480.db2.gz KBNKRXMRIZDLJN-SFHVURJKSA-N 0 0 378.867 3.533 10 0 GHAERN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000180951284 883111453 /nfs/dbraw/zinc/11/14/53/883111453.db2.gz RRVPGBNCSBTOMQ-XKQJLSEDSA-N 0 0 393.459 3.841 10 0 GHAERN CN(C)C(=O)Cc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000121506669 877284596 /nfs/dbraw/zinc/28/45/96/877284596.db2.gz KEORGQQQEAOALO-UHFFFAOYSA-N 0 0 381.451 3.778 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCCc3ccc4c(c3)CC(=O)N4)C2)cc1 ZINC000121880307 877920257 /nfs/dbraw/zinc/92/02/57/877920257.db2.gz XOAAHBNGTMCKLV-OXJNMPFZSA-N 0 0 392.499 3.917 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000121906762 878033512 /nfs/dbraw/zinc/03/35/12/878033512.db2.gz XEMXBQGELODEPA-GOEBONIOSA-N 0 0 381.432 3.675 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc4c(c3)NC(=O)CS4)C2)cc1 ZINC000122114587 878379640 /nfs/dbraw/zinc/37/96/40/878379640.db2.gz OEMNQETUOXIXCM-XJKSGUPXSA-N 0 0 382.485 3.758 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000122216584 878562577 /nfs/dbraw/zinc/56/25/77/878562577.db2.gz DXCDHQOSZQGCCX-QAPCUYQASA-N 0 0 380.444 3.670 10 0 GHAERN CC(C)(CO)CCCNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000122739066 879383402 /nfs/dbraw/zinc/38/34/02/879383402.db2.gz MNUSKRIUYINMBW-SFHVURJKSA-N 0 0 384.524 3.764 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(NC(=O)C(C)C)cc3)CC2)nc1 ZINC000181194966 883126997 /nfs/dbraw/zinc/12/69/97/883126997.db2.gz ZPAWKTOPMVGGRI-UHFFFAOYSA-N 0 0 381.476 3.668 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)nc1 ZINC000181198554 883127024 /nfs/dbraw/zinc/12/70/24/883127024.db2.gz IWKKIZWQRRNUJR-UHFFFAOYSA-N 0 0 395.434 3.797 10 0 GHAERN O=C(CCCc1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181536579 883161698 /nfs/dbraw/zinc/16/16/98/883161698.db2.gz WJTOTJGESJTVNP-UHFFFAOYSA-N 0 0 391.515 3.758 10 0 GHAERN O=C(Nc1ccc(O)c(Cl)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182868039 883246434 /nfs/dbraw/zinc/24/64/34/883246434.db2.gz ASSBSCDNSAORKA-UHFFFAOYSA-N 0 0 376.815 3.676 10 0 GHAERN CCOCCOc1c(Cl)cccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183077190 883258894 /nfs/dbraw/zinc/25/88/94/883258894.db2.gz YYAAHDCEJGVQPX-OAHLLOKOSA-N 0 0 393.875 3.633 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)o1 ZINC000183795860 883288009 /nfs/dbraw/zinc/28/80/09/883288009.db2.gz YBDPFZVZWSWLQO-MVGZEHJDSA-N 0 0 395.381 3.825 10 0 GHAERN Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184001354 883297332 /nfs/dbraw/zinc/29/73/32/883297332.db2.gz FOYSKUAVLNNJPJ-UHFFFAOYSA-N 0 0 380.423 3.584 10 0 GHAERN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000183839240 883305323 /nfs/dbraw/zinc/30/53/23/883305323.db2.gz UCOICYJBSPLADT-HNNXBMFYSA-N 0 0 392.425 3.640 10 0 GHAERN CC(C)c1ccc(NC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1F ZINC000184450248 883336512 /nfs/dbraw/zinc/33/65/12/883336512.db2.gz VDNBCNGMDLTRLY-UHFFFAOYSA-N 0 0 391.472 3.683 10 0 GHAERN Cc1cc(CNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl ZINC000184382602 883346573 /nfs/dbraw/zinc/34/65/73/883346573.db2.gz CLJFGQXWVGHZHQ-UHFFFAOYSA-N 0 0 391.943 3.973 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC000184934483 883406347 /nfs/dbraw/zinc/40/63/47/883406347.db2.gz NZUQRYLJQUWLLI-KRWDZBQOSA-N 0 0 384.426 3.717 10 0 GHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000185174864 883414720 /nfs/dbraw/zinc/41/47/20/883414720.db2.gz CUWSLMFUMPVVLT-OAHLLOKOSA-N 0 0 387.911 3.764 10 0 GHAERN CN1CC[C@@H](CNC(=O)N2CCSC[C@@H]2c2nccs2)c2ccccc21 ZINC000185212863 883426088 /nfs/dbraw/zinc/42/60/88/883426088.db2.gz DQEULOHYHYJEDI-WMLDXEAASA-N 0 0 388.562 3.566 10 0 GHAERN Cc1ccccc1C1(CNC(=O)N2CCC(c3nnc4ccccn43)CC2)CC1 ZINC000102464486 883426553 /nfs/dbraw/zinc/42/65/53/883426553.db2.gz JHTPDAPCUNLZIW-UHFFFAOYSA-N 0 0 389.503 3.659 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000102531301 883537750 /nfs/dbraw/zinc/53/77/50/883537750.db2.gz FBCDWUAHTNYKDE-HNNXBMFYSA-N 0 0 387.455 3.881 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCSC[C@@H]1c1nccs1 ZINC000185533567 883551592 /nfs/dbraw/zinc/55/15/92/883551592.db2.gz REBXAVVHZZCCRI-CQSZACIVSA-N 0 0 394.591 3.673 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000185539904 883552711 /nfs/dbraw/zinc/55/27/11/883552711.db2.gz KMCXSVVKPCHZCJ-CWTRNNRKSA-N 0 0 390.405 3.817 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)c2ccc(F)cc2C1 ZINC000185539315 883552826 /nfs/dbraw/zinc/55/28/26/883552826.db2.gz XDFKYKBOXFEAHA-JOCHJYFZSA-N 0 0 391.446 3.906 10 0 GHAERN CC[C@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000185540228 883552853 /nfs/dbraw/zinc/55/28/53/883552853.db2.gz MZFAWSYREZNBDL-UNMCSNQZSA-N 0 0 398.478 3.938 10 0 GHAERN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559226 883556871 /nfs/dbraw/zinc/55/68/71/883556871.db2.gz HBHUEZZICXKEEG-NHCUHLMSSA-N 0 0 398.478 3.901 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H]2CSc3ccccc32)c2ccc(F)cc2C1 ZINC000185558186 883556998 /nfs/dbraw/zinc/55/69/98/883556998.db2.gz UOSNONUJXLSLTL-RBUKOAKNSA-N 0 0 384.476 3.625 10 0 GHAERN Cc1c(Br)scc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000185775871 883583535 /nfs/dbraw/zinc/58/35/35/883583535.db2.gz RSTDVIJQOHDASK-UHFFFAOYSA-N 0 0 382.327 3.647 10 0 GHAERN CSCc1ccccc1NC(=O)N1CCNC(=O)[C@H]1c1ccc(F)cc1C ZINC000185902418 883587038 /nfs/dbraw/zinc/58/70/38/883587038.db2.gz NLHVIHOQNMLHEX-GOSISDBHSA-N 0 0 387.480 3.702 10 0 GHAERN COc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1-c1ccccn1 ZINC000186482141 883649478 /nfs/dbraw/zinc/64/94/78/883649478.db2.gz DBAMBKDTKXFMPQ-UHFFFAOYSA-N 0 0 388.471 3.505 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccc(N2CCCC2)c1 ZINC000186534377 883661358 /nfs/dbraw/zinc/66/13/58/883661358.db2.gz GJRJFDMOELVXJB-LJQANCHMSA-N 0 0 393.535 3.665 10 0 GHAERN O=S1(=O)CCN(Cc2ncc(-c3ccccc3Cl)o2)Cc2ccccc21 ZINC000186559083 883663077 /nfs/dbraw/zinc/66/30/77/883663077.db2.gz FNNQMOGFXKXHCG-UHFFFAOYSA-N 0 0 388.876 3.785 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186617310 883675211 /nfs/dbraw/zinc/67/52/11/883675211.db2.gz KZYPVXPHBGOZCQ-ZWKOTPCHSA-N 0 0 386.496 3.865 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccc(F)cc2)O1 ZINC000186618137 883675522 /nfs/dbraw/zinc/67/55/22/883675522.db2.gz FZUIXESQLALMMU-DJJJIMSYSA-N 0 0 398.438 3.797 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1noc(-c2ccccc2)n1 ZINC000186639301 883679019 /nfs/dbraw/zinc/67/90/19/883679019.db2.gz POBYFITUWALYKA-LBPRGKRZSA-N 0 0 392.419 3.597 10 0 GHAERN COc1ccc(C[C@H](C)CNC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186650553 883680299 /nfs/dbraw/zinc/68/02/99/883680299.db2.gz VJCZTLFYDKMTIA-AWEZNQCLSA-N 0 0 382.464 3.673 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC(Nc2nccs2)CC1 ZINC000186689480 883688146 /nfs/dbraw/zinc/68/81/46/883688146.db2.gz QXIOKMGGVDNOMR-UHFFFAOYSA-N 0 0 382.436 3.531 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)c2ccc(F)cc2C1 ZINC000186747925 883698759 /nfs/dbraw/zinc/69/87/59/883698759.db2.gz PLZNVKDJEHHERU-SFTDATJTSA-N 0 0 396.462 3.528 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186779604 883701907 /nfs/dbraw/zinc/70/19/07/883701907.db2.gz KLIYSEHSYYWFDA-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(OC4COC4)cc3)C2)cc1 ZINC000187207606 883766329 /nfs/dbraw/zinc/76/63/29/883766329.db2.gz ZDPHTJMDZAWAPJ-RDJZCZTQSA-N 0 0 382.460 3.883 10 0 GHAERN CC[C@@H](CN(CC)C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000187416645 883790455 /nfs/dbraw/zinc/79/04/55/883790455.db2.gz RKDGDRURIUKEID-IBGZPJMESA-N 0 0 393.531 3.976 10 0 GHAERN CC[C@@H](CN(CC)C(=O)NC1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000188317888 883835799 /nfs/dbraw/zinc/83/57/99/883835799.db2.gz PVSYPLDKSXCSDC-SFHVURJKSA-N 0 0 381.524 3.671 10 0 GHAERN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000102608614 883866896 /nfs/dbraw/zinc/86/68/96/883866896.db2.gz SQIWOXNUVIBWLG-OAHLLOKOSA-N 0 0 388.533 3.821 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000189094965 883903508 /nfs/dbraw/zinc/90/35/08/883903508.db2.gz XZWVPDREPDFLSN-ZWKOTPCHSA-N 0 0 398.850 3.696 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189285921 883928430 /nfs/dbraw/zinc/92/84/30/883928430.db2.gz ASKZHNDOOMVJMD-OAHLLOKOSA-N 0 0 398.454 3.903 10 0 GHAERN CCC(=O)c1cccc(S(=O)(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189371337 883941753 /nfs/dbraw/zinc/94/17/53/883941753.db2.gz MZUVHRSIXNHLMN-UHFFFAOYSA-N 0 0 385.485 3.536 10 0 GHAERN C[C@H](O)C[C@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189563176 883962839 /nfs/dbraw/zinc/96/28/39/883962839.db2.gz RLIOARBOGCZBJZ-AZUAARDMSA-N 0 0 394.515 3.819 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C[C@@H]1C ZINC000189882573 884005691 /nfs/dbraw/zinc/00/56/91/884005691.db2.gz AUBUVWDWRWDSEC-QWRGUYRKSA-N 0 0 394.884 3.521 10 0 GHAERN O=C(c1cnn(CCC(F)(F)F)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189842884 884015649 /nfs/dbraw/zinc/01/56/49/884015649.db2.gz ULUQCNWDJDRJIG-UHFFFAOYSA-N 0 0 379.382 3.544 10 0 GHAERN Cc1nc([C@@H]2CCCN2Cc2ccccc2OCC(=O)N2CCCC2)cs1 ZINC000189926587 884024269 /nfs/dbraw/zinc/02/42/69/884024269.db2.gz ZKJPDUYYTCOUDK-IBGZPJMESA-N 0 0 385.533 3.790 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(C3CC3)cc2)c2ccc(F)cc2C1 ZINC000190008009 884042043 /nfs/dbraw/zinc/04/20/43/884042043.db2.gz IUORDZDRPKMQRF-JOCHJYFZSA-N 0 0 395.478 3.996 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3cccs3)c2)C1 ZINC000190047838 884045318 /nfs/dbraw/zinc/04/53/18/884045318.db2.gz XWMKEWGDUCNNBL-AEFFLSMTSA-N 0 0 399.472 3.621 10 0 GHAERN O=C(Cc1cc(F)ccc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190389376 884074837 /nfs/dbraw/zinc/07/48/37/884074837.db2.gz LIQCGQBCXPQZOL-UHFFFAOYSA-N 0 0 398.301 3.690 10 0 GHAERN COc1ccc(C(C)(C)C(=O)N2CCC(Nc3nccs3)CC2)cc1OC ZINC000190411566 884077669 /nfs/dbraw/zinc/07/76/69/884077669.db2.gz MUXOZHQWPMFJEB-UHFFFAOYSA-N 0 0 389.521 3.541 10 0 GHAERN O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCC(Nc2nccs2)CC1 ZINC000190406393 884077738 /nfs/dbraw/zinc/07/77/38/884077738.db2.gz QLGZSXCBJFESEL-UHFFFAOYSA-N 0 0 392.431 3.943 10 0 GHAERN Cc1cc(C)nc(-n2nccc2NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000190425980 884080627 /nfs/dbraw/zinc/08/06/27/884080627.db2.gz VKSCGCIOZAKHQY-UHFFFAOYSA-N 0 0 380.477 3.662 10 0 GHAERN O=C(NCc1ccccc1CN1CCOCC1)N(Cc1ccco1)C1CCCC1 ZINC000105089211 884109106 /nfs/dbraw/zinc/10/91/06/884109106.db2.gz FNGACORLYVUBEJ-UHFFFAOYSA-N 0 0 397.519 3.766 10 0 GHAERN CC(=O)N(c1nc(CN2CC3(CCOCC3)c3ccccc32)cs1)C1CC1 ZINC000191619905 884191836 /nfs/dbraw/zinc/19/18/36/884191836.db2.gz BPFZYAVFHVRCIQ-UHFFFAOYSA-N 0 0 383.517 3.727 10 0 GHAERN C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1ccccc1SCc1cccs1 ZINC000191799953 884211878 /nfs/dbraw/zinc/21/18/78/884211878.db2.gz RIGDPTAZBSQXLX-CQSZACIVSA-N 0 0 395.571 3.690 10 0 GHAERN Cc1csc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1Br ZINC000192049869 884231463 /nfs/dbraw/zinc/23/14/63/884231463.db2.gz RQTAMLMFKKHUQM-UHFFFAOYSA-N 0 0 394.338 3.921 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000192420408 884261731 /nfs/dbraw/zinc/26/17/31/884261731.db2.gz KKNGOQDIDJCIDA-UHFFFAOYSA-N 0 0 398.410 3.542 10 0 GHAERN CCCNc1ccc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000192592897 884283127 /nfs/dbraw/zinc/28/31/27/884283127.db2.gz TYTJVZYSXSLDNI-SFHVURJKSA-N 0 0 392.507 3.640 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000192678810 884287472 /nfs/dbraw/zinc/28/74/72/884287472.db2.gz MATTXQTYBWVYTC-OJXHRBAXSA-N 0 0 395.402 3.754 10 0 GHAERN C[C@@H](NC(=O)NCC[C@@H]1C(=O)Nc2ccccc21)c1cccc(OC(F)F)c1 ZINC000193257667 884334938 /nfs/dbraw/zinc/33/49/38/884334938.db2.gz DBCCBNCAECNPCJ-WBMJQRKESA-N 0 0 389.402 3.774 10 0 GHAERN CCCCCS(=O)(=O)CC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000102718422 884347842 /nfs/dbraw/zinc/34/78/42/884347842.db2.gz OSBVCGYRZSSWCC-UHFFFAOYSA-N 0 0 385.489 3.773 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000102953528 884654814 /nfs/dbraw/zinc/65/48/14/884654814.db2.gz QKFKJXNHURTQFJ-WMZOPIPTSA-N 0 0 379.460 3.941 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152280181 884695038 /nfs/dbraw/zinc/69/50/38/884695038.db2.gz GLIKHMOKWGXRJX-AEFFLSMTSA-N 0 0 397.523 3.702 10 0 GHAERN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)n1 ZINC000105974362 884886942 /nfs/dbraw/zinc/88/69/42/884886942.db2.gz WOGFIZCXFYLFSV-KRWDZBQOSA-N 0 0 389.459 3.926 10 0 GHAERN O=C(NCCCN1CCCC1=O)[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000106009192 884951685 /nfs/dbraw/zinc/95/16/85/884951685.db2.gz NTUYUCLBAJSCHL-FQEVSTJZSA-N 0 0 386.492 3.788 10 0 GHAERN O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000106012139 884954753 /nfs/dbraw/zinc/95/47/53/884954753.db2.gz MNYCBPXBPTWPED-NSHDSACASA-N 0 0 399.224 3.941 10 0 GHAERN O=C(c1ccc(-n2cccc2)c(F)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000104210865 885344888 /nfs/dbraw/zinc/34/48/88/885344888.db2.gz DOJOAVDCYQJQJY-UHFFFAOYSA-N 0 0 389.434 3.679 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccnc1SCc1cc(C)on1 ZINC000104457753 885452556 /nfs/dbraw/zinc/45/25/56/885452556.db2.gz PQIPROMUXHVOFX-UHFFFAOYSA-N 0 0 397.500 3.994 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccccc1I ZINC000104456063 885452976 /nfs/dbraw/zinc/45/29/76/885452976.db2.gz ASYPGKRAVZTCCP-UHFFFAOYSA-N 0 0 395.240 3.615 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(-n2ccnc2SC)cc1 ZINC000104459708 885455294 /nfs/dbraw/zinc/45/52/94/885455294.db2.gz ZCIGNJLVXYZAET-UHFFFAOYSA-N 0 0 381.501 3.918 10 0 GHAERN CC(=O)Nc1ccc(F)c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000101531788 885944022 /nfs/dbraw/zinc/94/40/22/885944022.db2.gz DZFMTYMHXDVJSX-UHFFFAOYSA-N 0 0 385.370 3.551 10 0 GHAERN Cc1ccc(Oc2ccccc2CNC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000106566987 886033675 /nfs/dbraw/zinc/03/36/75/886033675.db2.gz QNQKZKMEXMJVDV-UHFFFAOYSA-N 0 0 391.475 3.926 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114812419 886328835 /nfs/dbraw/zinc/32/88/35/886328835.db2.gz PSYAYPQLFPHEEY-KBPBESRZSA-N 0 0 388.493 3.528 10 0 GHAERN CCCC(=O)Nc1cccc(CNC(=O)N(CCC)CCc2ccccn2)c1 ZINC000105136941 886387515 /nfs/dbraw/zinc/38/75/15/886387515.db2.gz OGXQEGPCCHAIGQ-UHFFFAOYSA-N 0 0 382.508 3.985 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000117625142 886388657 /nfs/dbraw/zinc/38/86/57/886388657.db2.gz PPRMWQMZSGZVEJ-VFNWGFHPSA-N 0 0 387.439 3.515 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000117638209 886389403 /nfs/dbraw/zinc/38/94/03/886389403.db2.gz VIMSZDQMPXWHFC-QVKFZJNVSA-N 0 0 387.439 3.515 10 0 GHAERN COc1cc(F)c([C@@H](C)NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1OC ZINC000119483529 886465039 /nfs/dbraw/zinc/46/50/39/886465039.db2.gz NFUPKROEKKUJBF-BFUOFWGJSA-N 0 0 392.427 3.588 10 0 GHAERN CCc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@H]2CCCn3cc(C)nc32)s1 ZINC000332680191 886539324 /nfs/dbraw/zinc/53/93/24/886539324.db2.gz HHNTUXFXFCOUNN-HUUCEWRRSA-N 0 0 375.542 3.799 10 0 GHAERN Cc1noc([C@H](NC(=O)N[C@H]2CC[C@H](C)c3ccccc32)C2CCOCC2)n1 ZINC000332783417 886543885 /nfs/dbraw/zinc/54/38/85/886543885.db2.gz ANKJYXJNGVFLQY-FASAQXTFSA-N 0 0 384.480 3.784 10 0 GHAERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000332849171 886554314 /nfs/dbraw/zinc/55/43/14/886554314.db2.gz SCTKWYAZVBMIOZ-ZHDKGAKHSA-N 0 0 388.508 3.516 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc(C4N=NC(=S)O4)cc3)CC2)n1 ZINC000123967464 886695699 /nfs/dbraw/zinc/69/56/99/886695699.db2.gz PYYDWIUNJUDLNZ-UHFFFAOYSA-N 0 0 386.502 3.810 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000125012650 886820485 /nfs/dbraw/zinc/82/04/85/886820485.db2.gz OTCBYVQSYNFFBZ-QGZVFWFLSA-N 0 0 388.512 3.760 10 0 GHAERN CCCCc1nnc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000043383429 886853109 /nfs/dbraw/zinc/85/31/09/886853109.db2.gz GWESUTQANNFITB-UHFFFAOYSA-N 0 0 393.557 3.527 10 0 GHAERN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044567972 886975175 /nfs/dbraw/zinc/97/51/75/886975175.db2.gz QTOWEBLCUBSOPC-IBGZPJMESA-N 0 0 386.455 3.951 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(NC(=O)CC(C)C)c(F)c3)CCO2)o1 ZINC000127302713 887050433 /nfs/dbraw/zinc/05/04/33/887050433.db2.gz MWPBRRCWOCNDHJ-IBGZPJMESA-N 0 0 388.439 3.925 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)C3CCN(c4nc5ccccc5o4)CC3)CCO2)o1 ZINC000127342145 887053539 /nfs/dbraw/zinc/05/35/39/887053539.db2.gz UOSFPNJNTHHLCL-FQEVSTJZSA-N 0 0 395.459 3.546 10 0 GHAERN Fc1cc(-c2noc(CN[C@H]3CCCC[C@@H]3n3cccn3)n2)cc(F)c1F ZINC000127922944 887123257 /nfs/dbraw/zinc/12/32/57/887123257.db2.gz HJXDDOQNAWMDMP-GJZGRUSLSA-N 0 0 377.370 3.624 10 0 GHAERN Cc1cccc(C)c1OCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000046169648 887154769 /nfs/dbraw/zinc/15/47/69/887154769.db2.gz RDHUGHBMZZFOHV-UHFFFAOYSA-N 0 0 386.536 3.714 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000128926365 887241927 /nfs/dbraw/zinc/24/19/27/887241927.db2.gz WDCNUYJSGONCLF-HNNXBMFYSA-N 0 0 398.482 3.688 10 0 GHAERN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000130553196 887446641 /nfs/dbraw/zinc/44/66/41/887446641.db2.gz MCOOKHGDLSIWHN-DZGCQCFKSA-N 0 0 379.551 3.590 10 0 GHAERN O=C(c1cc2c(cc1F)NC(=O)CC2)N1CCC(c2nc3ccccc3o2)CC1 ZINC000130664123 887460765 /nfs/dbraw/zinc/46/07/65/887460765.db2.gz MHJBDDKSIXONNF-UHFFFAOYSA-N 0 0 393.418 3.871 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000131391127 887538876 /nfs/dbraw/zinc/53/88/76/887538876.db2.gz VKHAFGJJIRTBKT-XLNAKTSKSA-N 0 0 397.479 3.634 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)CCO2)o1 ZINC000133392751 887757770 /nfs/dbraw/zinc/75/77/70/887757770.db2.gz GZYAPAHXDJZTLE-LJQANCHMSA-N 0 0 389.879 3.890 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000134284736 887848394 /nfs/dbraw/zinc/84/83/94/887848394.db2.gz GEQXHGWDLOPASI-RXVVDRJESA-N 0 0 383.536 3.622 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000134341086 887860965 /nfs/dbraw/zinc/86/09/65/887860965.db2.gz VAIDXOCXCOXJGG-UWJYYQICSA-N 0 0 391.471 3.798 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)oc2c1c(C)ccc2C ZINC000134356181 887863962 /nfs/dbraw/zinc/86/39/62/887863962.db2.gz ZDQJMHQLZNRLTN-SJLPKXTDSA-N 0 0 381.476 3.677 10 0 GHAERN Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134392054 887867894 /nfs/dbraw/zinc/86/78/94/887867894.db2.gz XDSCUWDJTMSCKR-KNQAVFIVSA-N 0 0 399.535 3.558 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000135134447 887946095 /nfs/dbraw/zinc/94/60/95/887946095.db2.gz KICUHMINNJIFNE-MAUKXSAKSA-N 0 0 387.501 3.507 10 0 GHAERN CC(C)Sc1ccccc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000135418112 888238538 /nfs/dbraw/zinc/23/85/38/888238538.db2.gz NLMACJGHUYHNAA-UHFFFAOYSA-N 0 0 388.537 3.787 10 0 GHAERN O=C(NCCc1cccc(Cl)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000053975667 888256651 /nfs/dbraw/zinc/25/66/51/888256651.db2.gz XCCZTKCLAYUCHV-INIZCTEOSA-N 0 0 383.883 3.514 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)cc1F ZINC000054067976 888261977 /nfs/dbraw/zinc/26/19/77/888261977.db2.gz CDRSLNPPPFKQJM-OAHLLOKOSA-N 0 0 393.478 3.850 10 0 GHAERN CC(C)[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000054518058 888279387 /nfs/dbraw/zinc/27/93/87/888279387.db2.gz AKNOJZZKIIDEQP-IEBWSBKVSA-N 0 0 394.500 3.879 10 0 GHAERN COc1ccc(S[C@H](C)C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057890847 888416924 /nfs/dbraw/zinc/41/69/24/888416924.db2.gz DCJJVPLMLBOOMH-FZKQIMNGSA-N 0 0 382.489 3.508 10 0 GHAERN COc1cc(C(=O)N2CCC[C@@H](COc3ccccc3)C2)cc(OC)c1OC ZINC000062555175 888508239 /nfs/dbraw/zinc/50/82/39/888508239.db2.gz ARBWLNZSLLEHHL-MRXNPFEDSA-N 0 0 385.460 3.644 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1)c1cccs1 ZINC000194028554 888548455 /nfs/dbraw/zinc/54/84/55/888548455.db2.gz UYOXVIXJBSGZQW-QGZVFWFLSA-N 0 0 389.496 3.896 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1cccs1 ZINC000194029737 888548727 /nfs/dbraw/zinc/54/87/27/888548727.db2.gz JSEUTAIUVZPJCO-OAHLLOKOSA-N 0 0 387.505 3.965 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(Cl)nc2C)c2ccc(F)cc2C1 ZINC000194629059 888599991 /nfs/dbraw/zinc/59/99/91/888599991.db2.gz KWRAGBQZXCLKEA-QGZVFWFLSA-N 0 0 390.846 3.798 10 0 GHAERN CCn1ncc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc21 ZINC000194679071 888605959 /nfs/dbraw/zinc/60/59/59/888605959.db2.gz MEYYZHNVMRLVHH-UHFFFAOYSA-N 0 0 394.450 3.686 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N2CCc3cc(C(C)(C)C)ccc32)CC1 ZINC000194780699 888619463 /nfs/dbraw/zinc/61/94/63/888619463.db2.gz JBZYXXJODGLHLD-UHFFFAOYSA-N 0 0 395.503 3.722 10 0 GHAERN CN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245440377 888751858 /nfs/dbraw/zinc/75/18/58/888751858.db2.gz UMQYDOGXSUNPSW-NVXWUHKLSA-N 0 0 382.913 3.783 10 0 GHAERN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245696750 889252629 /nfs/dbraw/zinc/25/26/29/889252629.db2.gz YHQHZGKORBUNOW-SYYKKAFVSA-N 0 0 391.515 3.623 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1OC1CCOCC1 ZINC000245885866 889934620 /nfs/dbraw/zinc/93/46/20/889934620.db2.gz KTYJITLBXOMRMD-MISYRCLQSA-N 0 0 386.492 3.632 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)C1 ZINC000245920793 890017645 /nfs/dbraw/zinc/01/76/45/890017645.db2.gz HAULDCHQKRKYDN-KDXIVRHGSA-N 0 0 389.499 3.649 10 0 GHAERN CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ncccc1F ZINC000245937028 890078983 /nfs/dbraw/zinc/07/89/83/890078983.db2.gz ABSSGNAYOOESGA-UHOSZYNNSA-N 0 0 381.451 3.657 10 0 GHAERN O=C(Nc1cccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1)c1ccco1 ZINC000246036138 890218863 /nfs/dbraw/zinc/21/88/63/890218863.db2.gz AEEROJCCAKEEOO-QXAKKESOSA-N 0 0 380.444 3.609 10 0 GHAERN O=C(Nc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1)c1ccccc1 ZINC000246179681 890580577 /nfs/dbraw/zinc/58/05/77/890580577.db2.gz SHOMWCOSPBEHAE-XUVXKRRUSA-N 0 0 376.456 3.626 10 0 GHAERN O=C(Nc1ccsc1C(=O)N1CCC[C@H](c2nccs2)C1)c1ccncc1 ZINC000067048485 891140646 /nfs/dbraw/zinc/14/06/46/891140646.db2.gz GQLGBURIAPNEGE-AWEZNQCLSA-N 0 0 398.513 3.872 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)cc1OCC ZINC000067507976 891153905 /nfs/dbraw/zinc/15/39/05/891153905.db2.gz ATNFHGDYNXUUGT-ZRDIBKRKSA-N 0 0 398.507 3.522 10 0 GHAERN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000067719179 891161242 /nfs/dbraw/zinc/16/12/42/891161242.db2.gz AOXCSILGENUKAC-MRXNPFEDSA-N 0 0 391.427 3.676 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cc(F)ccc2Br)c2ccccc2)[nH]1 ZINC000068364863 891176647 /nfs/dbraw/zinc/17/66/47/891176647.db2.gz DFPWUETWKUFMJD-HNNXBMFYSA-N 0 0 389.228 3.534 10 0 GHAERN O=C(CN1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1ccccc1Br ZINC000246752143 891303824 /nfs/dbraw/zinc/30/38/24/891303824.db2.gz VOICPURBDWDCLT-XJKSGUPXSA-N 0 0 393.281 3.569 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000247054202 891339331 /nfs/dbraw/zinc/33/93/31/891339331.db2.gz UNLCLHDIFWIHGP-FZKQIMNGSA-N 0 0 395.400 3.880 10 0 GHAERN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247565543 891385593 /nfs/dbraw/zinc/38/55/93/891385593.db2.gz RZNOFXLXBHESRK-BMGDILEWSA-N 0 0 387.505 3.666 10 0 GHAERN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000247640892 891389195 /nfs/dbraw/zinc/38/91/95/891389195.db2.gz VPNNPIXQMVCDRQ-LESCRADOSA-N 0 0 393.915 3.900 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)ccc1NC(=O)c1ccco1 ZINC000247679124 891391964 /nfs/dbraw/zinc/39/19/64/891391964.db2.gz ZLIVDHHVPYZHNK-JQHSSLGASA-N 0 0 383.448 3.919 10 0 GHAERN Cc1ccc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cc1N1CCCS1(=O)=O ZINC000248540778 891425751 /nfs/dbraw/zinc/42/57/51/891425751.db2.gz BNKYTTQXZKCLNT-UZLBHIALSA-N 0 0 399.516 3.760 10 0 GHAERN C[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[C@@H]2CCCC[C@H]21 ZINC000248419464 891434933 /nfs/dbraw/zinc/43/49/33/891434933.db2.gz LAZOKJRNOGJZFM-OXFYSEKESA-N 0 0 387.499 3.650 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)c2ccc(F)cc2C1 ZINC000248772293 891468055 /nfs/dbraw/zinc/46/80/55/891468055.db2.gz YIDSVQOVIXZLMO-VUBIOCNBSA-N 0 0 387.499 3.839 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000248812541 891472056 /nfs/dbraw/zinc/47/20/56/891472056.db2.gz KOZBFQPWABCEQX-MAODMQOUSA-N 0 0 396.535 3.589 10 0 GHAERN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000249926385 891531846 /nfs/dbraw/zinc/53/18/46/891531846.db2.gz ZZMAKYKYYNJZJG-DLBZAZTESA-N 0 0 384.549 3.950 10 0 GHAERN O=C(N[C@@H]1CCC[C@H]1CCO)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000251703880 891640028 /nfs/dbraw/zinc/64/00/28/891640028.db2.gz JKWPXWSGMLINGQ-IPMKNSEASA-N 0 0 382.508 3.517 10 0 GHAERN COc1ccc(CCNC(=O)N(C)Cc2ccc(Cl)nc2)cc1OC(F)F ZINC000102030690 897989133 /nfs/dbraw/zinc/98/91/33/897989133.db2.gz ULFRQAXPHMKBNY-UHFFFAOYSA-N 0 0 399.825 3.729 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3ccc(NC(=O)C(C)C)cc3)C2)c1 ZINC000102384347 898007497 /nfs/dbraw/zinc/00/74/97/898007497.db2.gz HGHFXCYZSIDAIN-QGZVFWFLSA-N 0 0 395.503 3.546 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 ZINC000104266542 898134455 /nfs/dbraw/zinc/13/44/55/898134455.db2.gz RPFGNUYBICFJNV-RDTXWAMCSA-N 0 0 389.459 3.812 10 0 GHAERN C[C@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(-n2cncn2)cc1 ZINC000104777529 898162011 /nfs/dbraw/zinc/16/20/11/898162011.db2.gz OUIOYBUAXLITKW-ZDUSSCGKSA-N 0 0 384.509 3.582 10 0 GHAERN C[C@H]1CN(c2ccc(CNC(=O)N(Cc3ccco3)C3CCCC3)cn2)CCO1 ZINC000105115845 898190669 /nfs/dbraw/zinc/19/06/69/898190669.db2.gz MULCAZUWRRJLKJ-KRWDZBQOSA-N 0 0 398.507 3.554 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N[C@H]3CC[C@@H](C)c4ccccc43)C2)n(C)n1 ZINC000333063280 899931237 /nfs/dbraw/zinc/93/12/37/899931237.db2.gz BJAMUZATTWDRCO-SYNHAJSKSA-N 0 0 381.524 3.635 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000333196376 900027918 /nfs/dbraw/zinc/02/79/18/900027918.db2.gz UEIXNZZWGMUAQD-UVDFWXMISA-N 0 0 389.496 3.871 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000333215382 900041819 /nfs/dbraw/zinc/04/18/19/900041819.db2.gz KYGDHXFLOIUTPH-AQOAWAETSA-N 0 0 391.515 3.691 10 0 GHAERN CCn1ccnc1[C@H]1CCCCN1C(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21 ZINC000333255990 901946433 /nfs/dbraw/zinc/94/64/33/901946433.db2.gz LETZEFTYZHWECT-WIYYLYMNSA-N 0 0 394.519 3.887 10 0 GHAERN CC(C)[C@@H]1C[C@@H](CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)c2ccccc21 ZINC000333354250 902031499 /nfs/dbraw/zinc/03/14/99/902031499.db2.gz WIXPKJKALCCUFO-HYVJGQCMSA-N 0 0 396.535 3.604 10 0 GHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333390367 902056748 /nfs/dbraw/zinc/05/67/48/902056748.db2.gz CMMNWUKCLVTDMO-LESCRADOSA-N 0 0 377.916 3.834 10 0 GHAERN O=C(CN1NC(=O)CC12CCCCC2)N1c2ccccc2CCc2ccccc21 ZINC000333543856 902177566 /nfs/dbraw/zinc/17/75/66/902177566.db2.gz AXTDTAAVDKRNSE-UHFFFAOYSA-N 0 0 389.499 3.890 10 0 GHAERN C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000177349642 906114131 /nfs/dbraw/zinc/11/41/31/906114131.db2.gz OJLGSRRSRAQCMR-RHSMWYFYSA-N 0 0 378.432 3.544 10 0 GHAERN O=C(CCSc1ccccc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181195309 906940643 /nfs/dbraw/zinc/94/06/43/906940643.db2.gz GSXQCEDREVTTCR-ZDUSSCGKSA-N 0 0 395.326 3.803 10 0 GHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1OCC1CCOCC1 ZINC000186051733 907872904 /nfs/dbraw/zinc/87/29/04/907872904.db2.gz NTQGZVDVCPXVDU-GOSISDBHSA-N 0 0 399.495 3.678 10 0 GHAERN COc1cc(-c2ccccc2)sc1C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189083512 908281629 /nfs/dbraw/zinc/28/16/29/908281629.db2.gz OUHOGHWBVGVSOE-LSDHHAIUSA-N 0 0 399.472 3.717 10 0 GHAERN CCCOc1ccc(Cl)cc1NC(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189405650 908317761 /nfs/dbraw/zinc/31/77/61/908317761.db2.gz ZQDLISUACOADPF-DZGCQCFKSA-N 0 0 394.859 3.814 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000190006931 908400990 /nfs/dbraw/zinc/40/09/90/908400990.db2.gz VTJPRDKVSCJUCN-HNNXBMFYSA-N 0 0 398.315 3.852 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000190053908 908414585 /nfs/dbraw/zinc/41/45/85/908414585.db2.gz MLIOBTCNHKKROU-WBVHZDCISA-N 0 0 387.505 3.772 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)C1 ZINC000190084026 908421680 /nfs/dbraw/zinc/42/16/80/908421680.db2.gz RHRYXCNYNAZWLF-ZWNOBZJWSA-N 0 0 395.246 3.768 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OCCC(C)C)cc2)C1 ZINC000190132560 908434023 /nfs/dbraw/zinc/43/40/23/908434023.db2.gz RCJMYWCQXLONEV-ROUUACIJSA-N 0 0 388.468 3.797 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(C(F)(F)F)c2C)C1 ZINC000190134238 908435772 /nfs/dbraw/zinc/43/57/72/908435772.db2.gz OCXNEMDVKXSLGH-FZMZJTMJSA-N 0 0 384.358 3.699 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CCO2)n1 ZINC000194349375 908937877 /nfs/dbraw/zinc/93/78/77/908937877.db2.gz WQPPNPKADCUARX-NVXWUHKLSA-N 0 0 391.468 3.587 10 0 GHAERN Cc1nn2cc(CCCOC(=O)CCCOc3ccccc3F)cnc2c1C ZINC000103818982 911280207 /nfs/dbraw/zinc/28/02/07/911280207.db2.gz NDHDKDMVMOVBJI-UHFFFAOYSA-N 0 0 385.439 3.820 10 0 GHAERN C[C@H]([NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)c1ncc(C(=O)[O-])s1 ZINC000687673604 976154338 /nfs/dbraw/zinc/15/43/38/976154338.db2.gz UUIRFUUGGQGARC-AVGNSLFASA-N 0 0 383.514 3.575 10 0 GHAERN COCc1ccccc1NC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185039762 1014576373 /nfs/dbraw/zinc/57/63/73/1014576373.db2.gz ANXHFWPGNOZYBO-FQEVSTJZSA-N 0 0 385.439 3.587 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1cccs1 ZINC000015920805 210180390 /nfs/dbraw/zinc/18/03/90/210180390.db2.gz WUOHHKOXUNKVIK-IBGZPJMESA-N 0 0 383.473 3.729 10 0 GHAERN COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccco2)cc1 ZINC000015412561 210157940 /nfs/dbraw/zinc/15/79/40/210157940.db2.gz IZXZNWLGNMTWNJ-FQEVSTJZSA-N 0 0 380.375 3.548 10 0 GHAERN CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1c[nH]c3ccccc13)CC2 ZINC000014540757 210121431 /nfs/dbraw/zinc/12/14/31/210121431.db2.gz QDJAGHUAHWSETH-UHFFFAOYSA-N 0 0 380.492 3.755 10 0 GHAERN O=c1[nH]c2c(s1)[C@H](c1ccccc1)c1c(O)n(-c3ccccc3)c(O)c1S2 ZINC000013471459 210063823 /nfs/dbraw/zinc/06/38/23/210063823.db2.gz QJKNMDBYTWNCSZ-YCPHGPKFSA-N 0 0 394.477 3.645 10 0 GHAERN Cc1cc(CNC(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)nn1C ZINC000012314413 209936592 /nfs/dbraw/zinc/93/65/92/209936592.db2.gz VSWRXIIMZZRPSU-UHFFFAOYSA-N 0 0 388.471 3.975 10 0 GHAERN COC(=O)CCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccc(Cl)cc3)c2O1 ZINC000012283631 209928962 /nfs/dbraw/zinc/92/89/62/209928962.db2.gz OCPFGKDMEWRANC-QGZVFWFLSA-N 0 0 387.863 3.688 10 0 GHAERN C[C@@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000006585626 209658363 /nfs/dbraw/zinc/65/83/63/209658363.db2.gz NIVWGRMGZFLXIM-VIFPVBQESA-N 0 0 394.761 3.565 10 0 GHAERN CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000003028999 209406218 /nfs/dbraw/zinc/40/62/18/209406218.db2.gz BEZFFVWAWNUQNR-UHFFFAOYSA-N 0 0 380.322 3.616 10 0 GHAERN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)NC1CCCCC1 ZINC000071327841 212057937 /nfs/dbraw/zinc/05/79/37/212057937.db2.gz CCODAAROGVCHRW-UHFFFAOYSA-N 0 0 381.520 3.673 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007598004 211585873 /nfs/dbraw/zinc/58/58/73/211585873.db2.gz PDNNBXVGGKBFOZ-FBXSJCODSA-N 0 0 396.487 3.561 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095091748 211220143 /nfs/dbraw/zinc/22/01/43/211220143.db2.gz LDJFPEUZILGJBH-HNNXBMFYSA-N 0 0 386.496 3.864 10 0 GHAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2nc1NC1CC1 ZINC000095075465 211216710 /nfs/dbraw/zinc/21/67/10/211216710.db2.gz MCNYPOAUJORFAO-OAHLLOKOSA-N 0 0 397.523 3.897 10 0 GHAERN Cc1ccsc1-c1nc(CN2CCc3c(=O)[nH]c(CC4CC4)nc3C2)c(C)o1 ZINC000067723224 211019266 /nfs/dbraw/zinc/01/92/66/211019266.db2.gz WQIMHSZGJZKMOT-UHFFFAOYSA-N 0 0 396.516 3.614 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)C3CC3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885277 210700604 /nfs/dbraw/zinc/70/06/04/210700604.db2.gz XFBHJDCNSSVLRV-ZDUSSCGKSA-N 0 0 384.863 3.998 10 0 GHAERN CN(C)c1ccc(C(=O)N2CCC(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000033310292 210641102 /nfs/dbraw/zinc/64/11/02/210641102.db2.gz VXOBRPSTHCNURX-UHFFFAOYSA-N 0 0 390.487 3.898 10 0 GHAERN CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1=O ZINC000020370541 210331544 /nfs/dbraw/zinc/33/15/44/210331544.db2.gz LIZXTYXIWLRMRN-SFHVURJKSA-N 0 0 399.535 3.725 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)c2ncccc21 ZINC000064929382 136158269 /nfs/dbraw/zinc/15/82/69/136158269.db2.gz MYUYGFLUKATFPQ-UHFFFAOYSA-N 0 0 388.427 3.869 10 0 GHAERN Cc1cc(C)c2c(n1)nc(C(=O)N(C)Cc1ccccc1)nc2N1CCCCC1 ZINC000065232032 136160675 /nfs/dbraw/zinc/16/06/75/136160675.db2.gz QALBFTUCDZFHQB-UHFFFAOYSA-N 0 0 389.503 3.904 10 0 GHAERN C[C@@H]1CN(c2nc3ccccc3nc2NC2CC2)CCN1C(=O)OC(C)(C)C ZINC000095090752 136177734 /nfs/dbraw/zinc/17/77/34/136177734.db2.gz RKDUVPKHCRWRLY-CQSZACIVSA-N 0 0 383.496 3.650 10 0 GHAERN CC(C)Cc1cc(=O)[nH]c(-c2ccc(CN(C)[C@@H](C)c3ccncn3)cc2)n1 ZINC000023505449 519427926 /nfs/dbraw/zinc/42/79/26/519427926.db2.gz APBASJGSZVCKOT-INIZCTEOSA-N 0 0 377.492 3.618 10 0 GHAERN Clc1cccc(Cl)c1[C@@H](c1nnnn1C1CCCCC1)N1CCOCC1 ZINC000020157526 570245023 /nfs/dbraw/zinc/24/50/23/570245023.db2.gz AWJWZAVXGWGVQT-KRWDZBQOSA-N 0 0 396.322 3.907 10 0 GHAERN CCCC[C@H](CC)C(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 ZINC000034924260 570345602 /nfs/dbraw/zinc/34/56/02/570345602.db2.gz CYVHMRKCOYLAAG-INIZCTEOSA-N 0 0 378.538 3.890 10 0 GHAERN CC(C)(C)OC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103165 570540324 /nfs/dbraw/zinc/54/03/24/570540324.db2.gz NSHRNLZJVUZSOW-SFHVURJKSA-N 0 0 389.467 3.733 10 0 GHAERN O=C(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000006765532 570576430 /nfs/dbraw/zinc/57/64/30/570576430.db2.gz ADRBENNMYGAMIP-JOCHJYFZSA-N 0 0 395.409 3.727 10 0 GHAERN Cc1ccc(Cc2nnc(CCNC(=O)Nc3ccc(F)c(Cl)c3)[nH]2)cc1 ZINC000033062552 570748639 /nfs/dbraw/zinc/74/86/39/570748639.db2.gz YSIXLHYLXCWQDF-UHFFFAOYSA-N 0 0 387.846 3.861 10 0 GHAERN Cc1oc(CNC(=O)Nc2c(C)cccc2C)nc1C(=O)N1CCC(C)CC1 ZINC000065293813 570786584 /nfs/dbraw/zinc/78/65/84/570786584.db2.gz KZAAICYFPYKUKG-UHFFFAOYSA-N 0 0 384.480 3.794 10 0 GHAERN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971535 570897262 /nfs/dbraw/zinc/89/72/62/570897262.db2.gz NKDXYMYUSOYEHY-HNNXBMFYSA-N 0 0 396.512 3.516 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1c1ccn(COCC[Si](C)(C)C)n1 ZINC000675058477 570903184 /nfs/dbraw/zinc/90/31/84/570903184.db2.gz HVZCUEZQJWRPMW-GOEBONIOSA-N 0 0 383.565 3.550 10 0 GHAERN COc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)c(OC)cc1Cl ZINC000156645119 834484606 /nfs/dbraw/zinc/48/46/06/834484606.db2.gz KSFDTOVNNLMMTJ-UHFFFAOYSA-N 0 0 392.887 3.577 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329285761 834750583 /nfs/dbraw/zinc/75/05/83/834750583.db2.gz OLJRLSFHRQNMAR-NVXWUHKLSA-N 0 0 391.581 3.839 10 0 GHAERN Cc1cc(C)c(NC(=O)CN2CCN(c3nc(C)cc(C(C)C)n3)CC2)c(C)c1 ZINC000186863805 834771586 /nfs/dbraw/zinc/77/15/86/834771586.db2.gz GDWGABCBSLKOQZ-UHFFFAOYSA-N 0 0 395.551 3.594 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3oc4c(cccc4Cl)c3C)CCO2)n1 ZINC000110906587 834802702 /nfs/dbraw/zinc/80/27/02/834802702.db2.gz GOSIAIDBQYTSTB-OAHLLOKOSA-N 0 0 387.867 3.749 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CC=C(c2ccccc2)CC1 ZINC000157855055 835122218 /nfs/dbraw/zinc/12/22/18/835122218.db2.gz MXBZKPOKIDFPTR-OAHLLOKOSA-N 0 0 375.394 3.849 10 0 GHAERN COc1ccccc1C[C@@H](C)CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157878652 835125791 /nfs/dbraw/zinc/12/57/91/835125791.db2.gz IXELHKJVSWLWEF-GOSISDBHSA-N 0 0 381.520 3.753 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000158467472 835385206 /nfs/dbraw/zinc/38/52/06/835385206.db2.gz RXSZQENGIXLJQQ-QGZVFWFLSA-N 0 0 386.839 3.783 10 0 GHAERN CCn1cc(C2CCN(C(=O)c3cnn(-c4cccc(C)c4)c3C)CC2)cn1 ZINC000329673330 835587164 /nfs/dbraw/zinc/58/71/64/835587164.db2.gz NZDKGIJMZQTRFP-UHFFFAOYSA-N 0 0 377.492 3.725 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@]34CCOc3ccccc34)C2)no1 ZINC000329705331 835739404 /nfs/dbraw/zinc/73/94/04/835739404.db2.gz JHFUNBZVUSMKLX-ULYRPOKDSA-N 0 0 381.476 3.639 10 0 GHAERN Cc1ccc([C@@H]2CN(Cc3nc(=O)c4c(-c5ccco5)csc4[nH]3)CCO2)o1 ZINC000159191990 835754841 /nfs/dbraw/zinc/75/48/41/835754841.db2.gz KOBOAXGHPMIJHR-INIZCTEOSA-N 0 0 397.456 3.720 10 0 GHAERN Clc1cccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)on2)c1 ZINC000329728592 835793914 /nfs/dbraw/zinc/79/39/14/835793914.db2.gz PATYMOOEIXNNNP-PBHICJAKSA-N 0 0 386.839 3.971 10 0 GHAERN C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000329790147 835979160 /nfs/dbraw/zinc/97/91/60/835979160.db2.gz SVPYXCGSTRZIEC-HNNXBMFYSA-N 0 0 384.501 3.629 10 0 GHAERN O=c1ccc2cc(S(=O)(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)ccc2[nH]1 ZINC000329914529 836017331 /nfs/dbraw/zinc/01/73/31/836017331.db2.gz XWAHEEYMQIRVND-OCCSQVGLSA-N 0 0 388.411 3.587 10 0 GHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000275376246 836944682 /nfs/dbraw/zinc/94/46/82/836944682.db2.gz OLJWDUUCHUASMF-TZMCWYRMSA-N 0 0 375.494 3.593 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CC[C@@H](C)C4)CCO2)o1 ZINC000275381434 836957373 /nfs/dbraw/zinc/95/73/73/836957373.db2.gz OURYPDHTPQBZPK-OCCSQVGLSA-N 0 0 375.494 3.593 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C[C@H](C)O1 ZINC000332920685 836986553 /nfs/dbraw/zinc/98/65/53/836986553.db2.gz GAVLCJTXZCFWJY-RJAOAUJVSA-N 0 0 394.924 3.589 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1Cl)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000408420293 844236144 /nfs/dbraw/zinc/23/61/44/844236144.db2.gz UPWDOIDHAZBJNJ-HOCOFYGGSA-N 0 0 377.641 3.931 10 0 GHAERN O=C(NCc1ccc(N2CCCC2)nc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103178222 837272946 /nfs/dbraw/zinc/27/29/46/837272946.db2.gz AWQZIIXZMASIMN-QFIPXVFZSA-N 0 0 387.487 3.666 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103315377 837302335 /nfs/dbraw/zinc/30/23/35/837302335.db2.gz ZCLMNLJMAMZSBD-NRFANRHFSA-N 0 0 390.443 3.960 10 0 GHAERN CN(C)C(=O)Cc1nc(CN2CCc3cc(-c4ccccc4)oc3C2)cs1 ZINC000177717671 838047492 /nfs/dbraw/zinc/04/74/92/838047492.db2.gz RNCXSHBYLKUJQQ-UHFFFAOYSA-N 0 0 381.501 3.592 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2Br)[nH]1 ZINC000407980420 838376169 /nfs/dbraw/zinc/37/61/69/838376169.db2.gz LLTPZCCMYIWDKK-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1Br ZINC000106307626 838497873 /nfs/dbraw/zinc/49/78/73/838497873.db2.gz VCDOZZPSWSPQPL-UHFFFAOYSA-N 0 0 393.325 3.750 10 0 GHAERN O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408039730 839224593 /nfs/dbraw/zinc/22/45/93/839224593.db2.gz XVIREBLWCFMNLR-BDJLRTHQSA-N 0 0 389.858 3.576 10 0 GHAERN O=C(NCc1cc(Cl)sc1Cl)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000408085995 840335316 /nfs/dbraw/zinc/33/53/16/840335316.db2.gz FMQRONHZVVEIJK-IINYFYTJSA-N 0 0 381.350 3.909 10 0 GHAERN CCc1nc(CN2CCC(CNC(=O)[C@]3(C)CC3(Cl)Cl)CC2)cs1 ZINC000111043808 840611362 /nfs/dbraw/zinc/61/13/62/840611362.db2.gz SZJACIXQTOHKEK-INIZCTEOSA-N 0 0 390.380 3.618 10 0 GHAERN CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC12CCCCC2 ZINC000332772882 844561358 /nfs/dbraw/zinc/56/13/58/844561358.db2.gz GCVZUEODOSEUBQ-HOTGVXAUSA-N 0 0 389.462 3.684 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408133307 841084575 /nfs/dbraw/zinc/08/45/75/841084575.db2.gz OEZDJOZHKPJNFT-SELNLUPBSA-N 0 0 385.552 3.647 10 0 GHAERN O=c1c(Cl)c(N2CC[C@]3(O)CCCC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000301723649 841236178 /nfs/dbraw/zinc/23/61/78/841236178.db2.gz SHLAPRXKIMTDHJ-ORAYPTAESA-N 0 0 394.302 3.671 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000092147433 841308938 /nfs/dbraw/zinc/30/89/38/841308938.db2.gz IASLKYMMLXIYOV-UHFFFAOYSA-N 0 0 380.492 3.800 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)C1(Cc3cccc(Cl)c3)CCCC1)CC2 ZINC000120981575 841818643 /nfs/dbraw/zinc/81/86/43/841818643.db2.gz AUYMIRFBWPTYOR-QGZVFWFLSA-N 0 0 386.927 3.728 10 0 GHAERN CC(C)OCCCCNS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588423732 841989060 /nfs/dbraw/zinc/98/90/60/841989060.db2.gz JGROGFSCZCCWNQ-XFXZXTDPSA-N 0 0 376.316 3.544 10 0 GHAERN O=C([C@@H]1CCc2ccccc21)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000329318561 861279512 /nfs/dbraw/zinc/27/95/12/861279512.db2.gz QYIPEPHNVRINCY-RTBURBONSA-N 0 0 381.476 3.747 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CC2)oc1C ZINC000153091545 842256036 /nfs/dbraw/zinc/25/60/36/842256036.db2.gz HTRWNIKKNZWSQH-YWZLYKJASA-N 0 0 382.508 3.757 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408193092 842286295 /nfs/dbraw/zinc/28/62/95/842286295.db2.gz QTGQUNALZLJWMA-JCHJZTRSSA-N 0 0 376.472 3.765 10 0 GHAERN C[C@@H]1CC(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000094062741 842420334 /nfs/dbraw/zinc/42/03/34/842420334.db2.gz SNPFDJILBNYSFD-HUUCEWRRSA-N 0 0 393.915 3.610 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C(C)(C)Oc1cccc(Cl)c1 ZINC000588434502 842497254 /nfs/dbraw/zinc/49/72/54/842497254.db2.gz LXWSZYAQEDAZHV-SREVYHEPSA-N 0 0 382.888 3.695 10 0 GHAERN O=C(/C=C\c1ccncn1)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000588438635 842732514 /nfs/dbraw/zinc/73/25/14/842732514.db2.gz CZXUYDQCZMNIIF-YWEYNIOJSA-N 0 0 377.375 3.591 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)/C(C)=C\c3ccc(OC)c(F)c3)C2)c1 ZINC000588445033 842804871 /nfs/dbraw/zinc/80/48/71/842804871.db2.gz AGEUUYPSBYYZEF-QMJOVRGKSA-N 0 0 398.478 3.889 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408208794 842823105 /nfs/dbraw/zinc/82/31/05/842823105.db2.gz OZPJHABHFUWGOP-KZNAEPCWSA-N 0 0 395.341 3.983 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408208793 842823244 /nfs/dbraw/zinc/82/32/44/842823244.db2.gz OZPJHABHFUWGOP-KURKYZTESA-N 0 0 395.341 3.983 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408208791 842823604 /nfs/dbraw/zinc/82/36/04/842823604.db2.gz OZPJHABHFUWGOP-KSZLIROESA-N 0 0 395.341 3.983 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000247651053 843034617 /nfs/dbraw/zinc/03/46/17/843034617.db2.gz WJSASVAZMMKLII-QRFRQXIXSA-N 0 0 376.522 3.596 10 0 GHAERN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123874591 843230894 /nfs/dbraw/zinc/23/08/94/843230894.db2.gz XLZKACKJNFMBJM-MRXNPFEDSA-N 0 0 394.523 3.947 10 0 GHAERN CCN(CC)c1nc2sc(C(=O)N3CCC[C@H]3c3noc(C)n3)cc2s1 ZINC000329419095 861395735 /nfs/dbraw/zinc/39/57/35/861395735.db2.gz ZVPFNZZUXFUWCI-NSHDSACASA-N 0 0 391.522 3.873 10 0 GHAERN Cc1nnc([C@@H]2COCCN2C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)o1 ZINC000408383610 843276257 /nfs/dbraw/zinc/27/62/57/843276257.db2.gz AOAWQJIWXSPFGZ-SFHVURJKSA-N 0 0 383.492 3.941 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000112351829 843353103 /nfs/dbraw/zinc/35/31/03/843353103.db2.gz QGIJXHSUDJKNSE-UHFFFAOYSA-N 0 0 385.464 3.890 10 0 GHAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121558563 843454108 /nfs/dbraw/zinc/45/41/08/843454108.db2.gz KNGDKWIEMWSALQ-UGSOOPFHSA-N 0 0 377.282 3.698 10 0 GHAERN CSc1cc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)ccc1NC(C)=O ZINC000408264363 843657361 /nfs/dbraw/zinc/65/73/61/843657361.db2.gz JKBSZZHSFSNAHZ-UHFFFAOYSA-N 0 0 376.522 3.931 10 0 GHAERN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@H]43)c2)cc1 ZINC000330315790 843667685 /nfs/dbraw/zinc/66/76/85/843667685.db2.gz PSQIWCHVHDETGS-LAUBAEHRSA-N 0 0 398.528 3.835 10 0 GHAERN O=C([C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CCc2cncnc2C1 ZINC000329474556 861496044 /nfs/dbraw/zinc/49/60/44/861496044.db2.gz ZZOAUIYYQHLVDT-CRAIPNDOSA-N 0 0 392.286 3.836 10 0 GHAERN O=C(Nc1cnc(-c2ccccc2)nc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000148271101 844828859 /nfs/dbraw/zinc/82/88/59/844828859.db2.gz XDYFCYUJPDTICH-KRWDZBQOSA-N 0 0 399.458 3.598 10 0 GHAERN CSc1nc2ncn(Cc3ncc(-c4ccccc4Cl)o3)c(=O)c2s1 ZINC000150900160 845070373 /nfs/dbraw/zinc/07/03/73/845070373.db2.gz KWGBCYJJCBGWRR-UHFFFAOYSA-N 0 0 390.877 3.932 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)o1 ZINC000408446685 845495743 /nfs/dbraw/zinc/49/57/43/845495743.db2.gz OXBOSFAXUPLBST-QZTJIDSGSA-N 0 0 385.512 3.617 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000151724275 845602321 /nfs/dbraw/zinc/60/23/21/845602321.db2.gz BMUZKONTYXNZHH-UHFFFAOYSA-N 0 0 391.518 3.831 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000102898024 845609373 /nfs/dbraw/zinc/60/93/73/845609373.db2.gz JAGLOQPRHWOCJD-GOSISDBHSA-N 0 0 386.517 3.961 10 0 GHAERN C[C@@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 ZINC000588488494 845625256 /nfs/dbraw/zinc/62/52/56/845625256.db2.gz WMKTXZIEOKWACC-CFHLNLSMSA-N 0 0 397.313 3.750 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CCO2)o1 ZINC000151829421 845831965 /nfs/dbraw/zinc/83/19/65/845831965.db2.gz LFZKIYUHZJHIBN-FQEVSTJZSA-N 0 0 394.427 3.955 10 0 GHAERN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(C)o2)cc1 ZINC000105039296 845931805 /nfs/dbraw/zinc/93/18/05/845931805.db2.gz NFJDETZOYZEPEQ-UHFFFAOYSA-N 0 0 386.477 3.566 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)CCC(=O)N4)C2)cc1 ZINC000151886903 845950237 /nfs/dbraw/zinc/95/02/37/845950237.db2.gz VMAMXLIDMHHIBF-YOEHRIQHSA-N 0 0 379.460 3.990 10 0 GHAERN O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000329038044 846200532 /nfs/dbraw/zinc/20/05/32/846200532.db2.gz RVXHGPAFAZYQOB-BTCOZLQPSA-N 0 0 377.488 3.692 10 0 GHAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128290704 847109449 /nfs/dbraw/zinc/10/94/49/847109449.db2.gz WFLVIXMXPRMULM-ABAIWWIYSA-N 0 0 397.846 3.675 10 0 GHAERN CC(C)Cc1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000152473217 847157665 /nfs/dbraw/zinc/15/76/65/847157665.db2.gz YEYZNPZXCFKINU-SCLBCKFNSA-N 0 0 394.313 3.993 10 0 GHAERN CC(C)(c1noc([C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000329653706 861915557 /nfs/dbraw/zinc/91/55/57/861915557.db2.gz DXROVVFTHJZMSA-MSOLQXFVSA-N 0 0 387.524 3.836 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000153521092 848598689 /nfs/dbraw/zinc/59/86/89/848598689.db2.gz DWVOBZFMEZMFQL-HNNXBMFYSA-N 0 0 396.520 3.859 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CCO2)o1 ZINC000154058785 849177345 /nfs/dbraw/zinc/17/73/45/849177345.db2.gz HOXIJYYUUAXVSQ-GOSISDBHSA-N 0 0 385.464 3.722 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3NCc3cccnc3)CCO2)o1 ZINC000154217375 849220330 /nfs/dbraw/zinc/22/03/30/849220330.db2.gz KLLJUNQWVLLKIM-OAQYLSRUSA-N 0 0 377.444 3.809 10 0 GHAERN Cc1csc(C2CCN([C@@H](C(N)=O)c3cccc(Br)c3)CC2)n1 ZINC000155367005 849501355 /nfs/dbraw/zinc/50/13/55/849501355.db2.gz FDDKAQWPJNNKRT-OAHLLOKOSA-N 0 0 394.338 3.620 10 0 GHAERN COc1cc(C=CC(=O)Nc2c[nH]nc2-c2ccccn2)cc(Cl)c1OC ZINC000155496411 849542315 /nfs/dbraw/zinc/54/23/15/849542315.db2.gz WFBGEYHPPWFSOB-VOTSOKGWSA-N 0 0 384.823 3.794 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@]4(CCc5ccccc54)C3)nc21 ZINC000155548442 849552979 /nfs/dbraw/zinc/55/29/79/849552979.db2.gz UQVYAESZDCHEOS-HSZRJFAPSA-N 0 0 375.472 3.504 10 0 GHAERN Fc1ccc(-c2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)no2)cc1 ZINC000031626117 849952763 /nfs/dbraw/zinc/95/27/63/849952763.db2.gz CCAUAPVQVHTHNP-LBPRGKRZSA-N 0 0 393.469 3.610 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1nc(C(C)(C)C)cs1 ZINC000159316503 862109088 /nfs/dbraw/zinc/10/90/88/862109088.db2.gz MNMGTTYBEXIBND-CYBMUJFWSA-N 0 0 375.542 3.824 10 0 GHAERN Cc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1C ZINC000003554226 850978013 /nfs/dbraw/zinc/97/80/13/850978013.db2.gz BWGYQRHTCXACAY-UHFFFAOYSA-N 0 0 390.468 3.776 10 0 GHAERN NC(=O)[C@@H]1Cc2ccccc2N1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000101547610 851670352 /nfs/dbraw/zinc/67/03/52/851670352.db2.gz DVGNQWCLRNVNTE-SFHVURJKSA-N 0 0 399.903 3.792 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1C ZINC000101608822 851727558 /nfs/dbraw/zinc/72/75/58/851727558.db2.gz YHMWMLSQQIECFT-UHFFFAOYSA-N 0 0 396.466 3.978 10 0 GHAERN CCOCCOCC(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1 ZINC000101653711 851790379 /nfs/dbraw/zinc/79/03/79/851790379.db2.gz QYUSDWHVWKPREX-UHFFFAOYSA-N 0 0 393.487 3.898 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c2ccccc2O1 ZINC000121059064 851795619 /nfs/dbraw/zinc/79/56/19/851795619.db2.gz CUZAHHBRSLQAAY-OALUTQOASA-N 0 0 393.487 3.562 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)[C@H]1C ZINC000329747784 862287242 /nfs/dbraw/zinc/28/72/42/862287242.db2.gz SOYBDLNYBBJQQZ-LFDJNIOPSA-N 0 0 390.572 3.858 10 0 GHAERN CCCCCc1nnc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)s1 ZINC000101739454 851859460 /nfs/dbraw/zinc/85/94/60/851859460.db2.gz DPGAJCRTXYRQDF-CQSZACIVSA-N 0 0 395.573 3.675 10 0 GHAERN CC1(C)C[C@@H](NC(=O)CN2C(=O)CSc3ccccc32)c2ccccc2O1 ZINC000121398794 851885998 /nfs/dbraw/zinc/88/59/98/851885998.db2.gz FQEMEXXWGKQQFM-OAHLLOKOSA-N 0 0 382.485 3.544 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000101771893 851898872 /nfs/dbraw/zinc/89/88/72/851898872.db2.gz GXTBVGQQUGVBCE-GJZGRUSLSA-N 0 0 379.932 3.983 10 0 GHAERN O=C(NCCCCOCc1ccccc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000101997616 852078934 /nfs/dbraw/zinc/07/89/34/852078934.db2.gz OZVYBMIRTADZHU-HXUWFJFHSA-N 0 0 399.510 3.948 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c2ccccc2O1 ZINC000122010562 852081330 /nfs/dbraw/zinc/08/13/30/852081330.db2.gz VVQAFGWKCDNSOW-FPOVZHCZSA-N 0 0 398.478 3.618 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)n1 ZINC000329783864 862319121 /nfs/dbraw/zinc/31/91/21/862319121.db2.gz VLKCAJRDJVIFCX-LLVKDONJSA-N 0 0 395.326 3.834 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nnc(CC34CC5CC(CC(C5)C3)C4)n2C)no1 ZINC000329810372 862336723 /nfs/dbraw/zinc/33/67/23/862336723.db2.gz CJBNEXKTLZYSFO-JRQWYPPZSA-N 0 0 382.512 3.607 10 0 GHAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1C[C@H]2CCC[C@@H]21 ZINC000329919646 862422813 /nfs/dbraw/zinc/42/28/13/862422813.db2.gz GLLUPRZJVUWOBV-PBHICJAKSA-N 0 0 389.297 3.905 10 0 GHAERN O=C(c1ccc2nc(Cl)ccc2c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164680833 853701379 /nfs/dbraw/zinc/70/13/79/853701379.db2.gz UDXGKJRJTFIMNZ-YJBOKZPZSA-N 0 0 383.879 3.504 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000334063574 853845347 /nfs/dbraw/zinc/84/53/47/853845347.db2.gz CDOMNMMGRTXGFA-ZMMAXQRCSA-N 0 0 398.532 3.732 10 0 GHAERN O=C(N[C@H]1c2ccccc2C[C@H]1O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123498911 854425245 /nfs/dbraw/zinc/42/52/45/854425245.db2.gz RBSFWTWLFMJCSR-SBHAEUEKSA-N 0 0 378.472 3.781 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000330114606 862585281 /nfs/dbraw/zinc/58/52/81/862585281.db2.gz FARLWZROUHATLF-DNVCBOLYSA-N 0 0 396.516 3.514 10 0 GHAERN CCn1nc(C)c(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1C ZINC000330148418 862616081 /nfs/dbraw/zinc/61/60/81/862616081.db2.gz MEVZYKXQYSSLKD-QGZVFWFLSA-N 0 0 389.521 3.635 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc3ccccc31)CC2 ZINC000114977345 855047578 /nfs/dbraw/zinc/04/75/78/855047578.db2.gz FPMUNQWNRYKXBX-FXAWDEMLSA-N 0 0 389.503 3.855 10 0 GHAERN CCC(C)(C)NC(=O)C[S@](=O)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000105706518 855134497 /nfs/dbraw/zinc/13/44/97/855134497.db2.gz ZYGCKXPFMPLGII-MHZLTWQESA-N 0 0 391.508 3.958 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3c(O)cccc32)c(Cl)c1 ZINC000190215313 855444648 /nfs/dbraw/zinc/44/46/48/855444648.db2.gz ACRCWFHMWKCYKH-QGZVFWFLSA-N 0 0 387.867 3.947 10 0 GHAERN CC(C)(C)[C@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000172172331 855861331 /nfs/dbraw/zinc/86/13/31/855861331.db2.gz YFPZQRUKEQAMIC-RDJZCZTQSA-N 0 0 378.538 3.763 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000156347249 856065765 /nfs/dbraw/zinc/06/57/65/856065765.db2.gz FVPVUTVGTDJOAR-AWEZNQCLSA-N 0 0 388.320 3.565 10 0 GHAERN CC1(C)CC(=O)c2cc(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)c(=O)[nH]c2C1 ZINC000156479530 856388908 /nfs/dbraw/zinc/38/89/08/856388908.db2.gz YXHSLDJVWWAOSV-HXUWFJFHSA-N 0 0 392.499 3.974 10 0 GHAERN CC(C)(C)OC(=O)N1C[C@@H](Br)C[C@H]1C(=O)OCc1ccccc1 ZINC000034383006 856439600 /nfs/dbraw/zinc/43/96/00/856439600.db2.gz BZRCQFJSGVBVKN-KBPBESRZSA-N 0 0 384.270 3.503 10 0 GHAERN CCOC(=O)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000032107428 856464757 /nfs/dbraw/zinc/46/47/57/856464757.db2.gz WFFAMPKXTMQPSD-FPZPBXSISA-N 0 0 388.504 3.993 10 0 GHAERN O=C([C@H]1CCCN(c2ncccn2)C1)N(Cc1ccco1)Cc1cccs1 ZINC000045188780 856700408 /nfs/dbraw/zinc/70/04/08/856700408.db2.gz LDRVYGDNRCLQDL-INIZCTEOSA-N 0 0 382.489 3.577 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1ccccc1Cl)CC2 ZINC000161545191 859687767 /nfs/dbraw/zinc/68/77/67/859687767.db2.gz GAHAELLHRNBJRR-PBHICJAKSA-N 0 0 387.915 3.916 10 0 GHAERN O=C(CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1F ZINC000102401010 860266718 /nfs/dbraw/zinc/26/67/18/860266718.db2.gz OGEOEDNMZFPKIF-HNNXBMFYSA-N 0 0 398.413 3.833 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC(C)(C)c3ccc(Cl)cc3)C2)no1 ZINC000171350535 860424662 /nfs/dbraw/zinc/42/46/62/860424662.db2.gz OMHWQBQNQQNGOI-OAHLLOKOSA-N 0 0 390.915 3.973 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3nc4c(s3)CCCCC4)C2)no1 ZINC000171445093 860425623 /nfs/dbraw/zinc/42/56/23/860425623.db2.gz FQRSVQUMOPIHIJ-CYBMUJFWSA-N 0 0 375.498 3.590 10 0 GHAERN CN(C(=O)c1cccc2c3c([nH]c21)CCCC3)[C@H]1CCCN(c2cccnn2)C1 ZINC000173590379 860441427 /nfs/dbraw/zinc/44/14/27/860441427.db2.gz MDJDTZPZLKNFMT-INIZCTEOSA-N 0 0 389.503 3.578 10 0 GHAERN Nc1nccc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)C2)n1 ZINC000329045985 860973881 /nfs/dbraw/zinc/97/38/81/860973881.db2.gz FTKGDIWCEMVVSS-BNOWGMLFSA-N 0 0 391.302 3.706 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C(C)C ZINC000329050970 860978873 /nfs/dbraw/zinc/97/88/73/860978873.db2.gz WJYYYXCUWIVWBD-LVCYWYKZSA-N 0 0 399.539 3.646 10 0 GHAERN COc1ccccc1[C@H](NC(=O)[C@H](C)Oc1cccc(C=O)c1)c1ccccn1 ZINC000159910212 863146575 /nfs/dbraw/zinc/14/65/75/863146575.db2.gz LUOSWBYCSMGTSP-AOMKIAJQSA-N 0 0 390.439 3.576 10 0 GHAERN CC(C)(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000103203287 863910224 /nfs/dbraw/zinc/91/02/24/863910224.db2.gz QGMXOYJWPDPVAI-UHFFFAOYSA-N 0 0 392.471 3.731 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(C(F)(F)F)c[nH]c3=O)c21 ZINC000103236668 863920207 /nfs/dbraw/zinc/92/02/07/863920207.db2.gz VWCKACRJGIISOE-UHFFFAOYSA-N 0 0 378.354 3.548 10 0 GHAERN COC(=O)CSCc1cccc(NC(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000103245897 863923438 /nfs/dbraw/zinc/92/34/38/863923438.db2.gz USYPHZBWXUQRJI-UHFFFAOYSA-N 0 0 390.480 3.938 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCO[C@H](c4ccccc4F)C3)c21 ZINC000103317501 863956701 /nfs/dbraw/zinc/95/67/01/863956701.db2.gz PWWYHWVDVIZCIG-FQEVSTJZSA-N 0 0 381.451 3.941 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccc(I)c1 ZINC000104456074 864325545 /nfs/dbraw/zinc/32/55/45/864325545.db2.gz JYCNSPCYFVNWCH-UHFFFAOYSA-N 0 0 395.240 3.615 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000178652449 865171333 /nfs/dbraw/zinc/17/13/33/865171333.db2.gz IBPQSGZDTMTXER-PGRDOPGGSA-N 0 0 381.476 3.711 10 0 GHAERN C[C@@]1(C(=O)N2CCC[C@H](c3nccs3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173493709 865924817 /nfs/dbraw/zinc/92/48/17/865924817.db2.gz AHXSUDKUDGNPMV-PGRDOPGGSA-N 0 0 397.544 3.792 10 0 GHAERN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCN(c2cccnn2)CC1 ZINC000105049062 881979327 /nfs/dbraw/zinc/97/93/27/881979327.db2.gz AXAYEOHFTLTEII-UHFFFAOYSA-N 0 0 391.928 3.985 10 0 GHAERN CCn1cc(CN2CCCN(C(=O)N[C@@H](C)c3ccccc3Cl)CC2)cn1 ZINC000112713964 866738381 /nfs/dbraw/zinc/73/83/81/866738381.db2.gz DKTJGILGRXWWGY-INIZCTEOSA-N 0 0 389.931 3.535 10 0 GHAERN Cc1nc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)nn1-c1ccccc1C(C)C ZINC000113892564 866760597 /nfs/dbraw/zinc/76/05/97/866760597.db2.gz QVGGAUWFGJGYEL-SFHVURJKSA-N 0 0 378.480 3.790 10 0 GHAERN CC1CCC(N2C[C@H](C(=O)N3CCCC[C@H]3c3nccs3)CC2=O)CC1 ZINC000115366667 866780988 /nfs/dbraw/zinc/78/09/88/866780988.db2.gz KDCLPFXHFXHSHW-MYBQVCMBSA-N 0 0 375.538 3.624 10 0 GHAERN O=S(=O)(c1ccc(Cl)nc1Cl)N1CC=C(c2ccc(O)cc2)CC1 ZINC000170873095 882062697 /nfs/dbraw/zinc/06/26/97/882062697.db2.gz VFOSZCBPKKQMMZ-UHFFFAOYSA-N 0 0 385.272 3.572 10 0 GHAERN C[C@@H]1CCc2c(sc3nc(CN4CC[C@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000180547087 867412695 /nfs/dbraw/zinc/41/26/95/867412695.db2.gz RESGSHDMCVBQNQ-ZMOMAAQPSA-N 0 0 386.565 3.525 10 0 GHAERN CC(C)c1cc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c2cnn(C(C)C)c2n1 ZINC000151410703 867446736 /nfs/dbraw/zinc/44/67/36/867446736.db2.gz WVXMHQULRGKJSP-KSFYIVLOSA-N 0 0 384.524 3.903 10 0 GHAERN O=C(CCc1nnc(-c2ccccc2)o1)N1CCC(Cc2ccccn2)CC1 ZINC000171616610 882118526 /nfs/dbraw/zinc/11/85/26/882118526.db2.gz TXNFALWQCRXXQE-UHFFFAOYSA-N 0 0 376.460 3.546 10 0 GHAERN COc1ccc(-c2noc(CCC(=O)N3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000171643428 882119977 /nfs/dbraw/zinc/11/99/77/882119977.db2.gz DFXDTNFTGOWDBN-OAHLLOKOSA-N 0 0 398.488 3.541 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCC(=O)N(C)[C@H]3c3ccccc3)CC2)n1 ZINC000171803148 882161734 /nfs/dbraw/zinc/16/17/34/882161734.db2.gz VCQJBUHZBYDMHB-ICSRJNTNSA-N 0 0 397.544 3.767 10 0 GHAERN O=C(NCc1cccnc1-n1cccn1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000172064200 882166050 /nfs/dbraw/zinc/16/60/50/882166050.db2.gz SXVNBATUPPFHGV-UHFFFAOYSA-N 0 0 379.439 3.528 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000172043719 882184229 /nfs/dbraw/zinc/18/42/29/882184229.db2.gz UBKDMNSWFBABQQ-XOBRGWDASA-N 0 0 376.412 3.713 10 0 GHAERN CCc1nc2cc(NC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)ccc2o1 ZINC000172252589 882191341 /nfs/dbraw/zinc/19/13/41/882191341.db2.gz KJPOAEKMXAAPEN-AWEZNQCLSA-N 0 0 390.447 3.844 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000091949437 882223557 /nfs/dbraw/zinc/22/35/57/882223557.db2.gz MGVYXYFIGVENRD-HNNXBMFYSA-N 0 0 380.964 3.667 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000172365671 882279963 /nfs/dbraw/zinc/27/99/63/882279963.db2.gz JEHIFZDDKAMNLM-GOEBONIOSA-N 0 0 399.457 3.609 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NC[C@@H](CCO)c3ccccc3)C2)n1 ZINC000172639707 882282269 /nfs/dbraw/zinc/28/22/69/882282269.db2.gz FMGJKDGSLXLIIL-MSOLQXFVSA-N 0 0 387.549 3.761 10 0 GHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172644370 882282314 /nfs/dbraw/zinc/28/23/14/882282314.db2.gz NAGJFSBDBAJCHS-LLVKDONJSA-N 0 0 375.354 3.558 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)NC[C@@H](CCO)c3ccccc3)CC2)c1 ZINC000172660083 882284065 /nfs/dbraw/zinc/28/40/65/882284065.db2.gz JRCUIJHTLKPCLM-HXUWFJFHSA-N 0 0 381.520 3.747 10 0 GHAERN CC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172804115 882309542 /nfs/dbraw/zinc/30/95/42/882309542.db2.gz BTCJOLICBRNODG-KRWDZBQOSA-N 0 0 395.503 3.598 10 0 GHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172744999 882304975 /nfs/dbraw/zinc/30/49/75/882304975.db2.gz XTPWOOLQNPUZMB-HNNXBMFYSA-N 0 0 385.895 3.807 10 0 GHAERN CCO[C@@H](C)c1noc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000172841308 882313449 /nfs/dbraw/zinc/31/34/49/882313449.db2.gz RQRKJFLYZPNXAQ-KPHLJTLVSA-N 0 0 395.868 3.924 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(C)c(NC(C)=O)c2)cc1 ZINC000172878310 882316565 /nfs/dbraw/zinc/31/65/65/882316565.db2.gz JFTNMYZQNCQDIZ-OAQYLSRUSA-N 0 0 381.476 3.738 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000172915142 882323246 /nfs/dbraw/zinc/32/32/46/882323246.db2.gz NEUJIEHLQKVSJY-YADHBBJMSA-N 0 0 396.487 3.639 10 0 GHAERN Cc1ccc(CN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)C2CC2)cc1C ZINC000173151470 882335535 /nfs/dbraw/zinc/33/55/35/882335535.db2.gz VMFIYSCMVMDVBO-UHFFFAOYSA-N 0 0 391.515 3.742 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1=O ZINC000153131868 869825017 /nfs/dbraw/zinc/82/50/17/869825017.db2.gz HOTXBFGDAPHOAA-SJLPKXTDSA-N 0 0 387.483 3.662 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N3CCO[C@H]4CCCC[C@H]43)cs2)cc1 ZINC000041110692 870239570 /nfs/dbraw/zinc/23/95/70/870239570.db2.gz HMYPMJHTJNJYBH-MOPGFXCFSA-N 0 0 386.517 3.743 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)cs2)cc1 ZINC000041110688 870239850 /nfs/dbraw/zinc/23/98/50/870239850.db2.gz HMYPMJHTJNJYBH-OALUTQOASA-N 0 0 386.517 3.743 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)cs2)cc1 ZINC000041110690 870240225 /nfs/dbraw/zinc/24/02/25/870240225.db2.gz HMYPMJHTJNJYBH-RBUKOAKNSA-N 0 0 386.517 3.743 10 0 GHAERN Cc1c(C(=O)Nc2nc(-c3cccc(O)c3)cs2)cccc1N1CCNC1=O ZINC000173878214 882411423 /nfs/dbraw/zinc/41/14/23/882411423.db2.gz YEEOOINOTRBSGT-UHFFFAOYSA-N 0 0 394.456 3.606 10 0 GHAERN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000193592806 870486736 /nfs/dbraw/zinc/48/67/36/870486736.db2.gz CMALKBKCTFIWEK-IRXDYDNUSA-N 0 0 390.480 3.953 10 0 GHAERN CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174076436 882422662 /nfs/dbraw/zinc/42/26/62/882422662.db2.gz KUAKFGKYKFMLSJ-INIZCTEOSA-N 0 0 384.451 3.899 10 0 GHAERN O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114821236 870705671 /nfs/dbraw/zinc/70/56/71/870705671.db2.gz BPRZNDARLZQEAW-KRWDZBQOSA-N 0 0 385.537 3.618 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1F ZINC000114826023 870752436 /nfs/dbraw/zinc/75/24/36/870752436.db2.gz OCVOOFPXOCOTLD-INIZCTEOSA-N 0 0 399.495 3.866 10 0 GHAERN CCCCCCn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O ZINC000003491075 870850594 /nfs/dbraw/zinc/85/05/94/870850594.db2.gz PDGITQBYXSJGBM-UHFFFAOYSA-N 0 0 375.538 3.984 10 0 GHAERN C[C@H](CCOc1ccccc1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000174309413 882475480 /nfs/dbraw/zinc/47/54/80/882475480.db2.gz WVHRHAPGUVQRSL-QGZVFWFLSA-N 0 0 386.517 3.528 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CC(=O)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000103045632 871138946 /nfs/dbraw/zinc/13/89/46/871138946.db2.gz NZGRIMKQQMMVRQ-UHFFFAOYSA-N 0 0 383.492 3.540 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)CC2)nc1 ZINC000174587489 882483856 /nfs/dbraw/zinc/48/38/56/882483856.db2.gz PKMWNVWYUVCOBI-IRLDBZIGSA-N 0 0 394.519 3.578 10 0 GHAERN CC(=O)N1CCc2cc(NC(=O)N3CCC(Nc4ccccc4F)CC3)ccc21 ZINC000174709504 882494892 /nfs/dbraw/zinc/49/48/92/882494892.db2.gz RAASGHSNRLHMJU-UHFFFAOYSA-N 0 0 396.466 3.843 10 0 GHAERN O=C(Nc1cccnc1N1CCCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000175052972 882520303 /nfs/dbraw/zinc/52/03/03/882520303.db2.gz BVZBCIBETMODEL-UHFFFAOYSA-N 0 0 383.471 3.929 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3coc(-c4ccccc4)n3)C2)c1 ZINC000175410133 882553680 /nfs/dbraw/zinc/55/36/80/882553680.db2.gz DAJCTDYGPORONA-INIZCTEOSA-N 0 0 378.428 3.989 10 0 GHAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000163724843 871861260 /nfs/dbraw/zinc/86/12/60/871861260.db2.gz YRBJHDLWDYJZNH-IDHHARJASA-N 0 0 395.341 3.717 10 0 GHAERN CCOc1cc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)ccc1OC ZINC000175227629 882559596 /nfs/dbraw/zinc/55/95/96/882559596.db2.gz RVKIEHONLQBEAC-UHFFFAOYSA-N 0 0 384.480 3.588 10 0 GHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175272048 882563151 /nfs/dbraw/zinc/56/31/51/882563151.db2.gz CDVHTELDVWMULX-JKSUJKDBSA-N 0 0 380.579 3.781 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)NC1CCN(c3ccc(C)cn3)CC1)CCC2 ZINC000175282571 882564677 /nfs/dbraw/zinc/56/46/77/882564677.db2.gz DILHSLSVLKYQJK-GOSISDBHSA-N 0 0 399.564 3.843 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000103444255 871998939 /nfs/dbraw/zinc/99/89/39/871998939.db2.gz QDQBQFNFFFGEHN-UHFFFAOYSA-N 0 0 392.427 3.642 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCCc2c[nH]c3c2cccc3C)c2ccccc2)[nH]1 ZINC000175431568 882579135 /nfs/dbraw/zinc/57/91/35/882579135.db2.gz CHTFRXQWFURXBZ-FQEVSTJZSA-N 0 0 388.475 3.534 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)n1 ZINC000101601550 872138986 /nfs/dbraw/zinc/13/89/86/872138986.db2.gz FJRNSAGHVUTXJE-UHFFFAOYSA-N 0 0 375.448 3.650 10 0 GHAERN O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cnccc1-c1cccc(F)c1 ZINC000175519380 882592814 /nfs/dbraw/zinc/59/28/14/882592814.db2.gz OSLREDLWGTZUBB-UHFFFAOYSA-N 0 0 388.402 3.738 10 0 GHAERN O=C(CNC(=O)OCc1ccccc1)Nc1cnccc1-c1cccc(F)c1 ZINC000175519639 882593127 /nfs/dbraw/zinc/59/31/27/882593127.db2.gz QYUOAXAPHPLMSU-UHFFFAOYSA-N 0 0 379.391 3.753 10 0 GHAERN Cc1csc([C@@H](NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)C2CC2)n1 ZINC000175826306 882636023 /nfs/dbraw/zinc/63/60/23/882636023.db2.gz QGFZRMWRYQBRBH-WBVHZDCISA-N 0 0 396.520 3.535 10 0 GHAERN O=C(c1cccc(NS(=O)(=O)c2cccc3ncccc32)c1)N1CCCCC1 ZINC000102320007 872899197 /nfs/dbraw/zinc/89/91/97/872899197.db2.gz GIRHWCXJTBSXJQ-UHFFFAOYSA-N 0 0 395.484 3.662 10 0 GHAERN CCC[C@@]1(C)CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000176074703 882665040 /nfs/dbraw/zinc/66/50/40/882665040.db2.gz HCCDBRXVJMPYHI-KUHUBIRLSA-N 0 0 384.517 3.902 10 0 GHAERN COc1cc(NC2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)cc(OC)c1 ZINC000176307633 882677456 /nfs/dbraw/zinc/67/74/56/882677456.db2.gz FTZALEMWSFRUQZ-KRWDZBQOSA-N 0 0 387.307 3.691 10 0 GHAERN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)[C@@H]1CCCn2ccnc21 ZINC000176324998 882679207 /nfs/dbraw/zinc/67/92/07/882679207.db2.gz DJMFFYNQXSJCFJ-XHCCPWGMSA-N 0 0 379.485 3.707 10 0 GHAERN COc1ccnc(N2CCC(C(=O)Nc3ccccc3OC(C)(C)C)CC2)n1 ZINC000115298997 873067536 /nfs/dbraw/zinc/06/75/36/873067536.db2.gz GHAXKDYGBYJVAS-UHFFFAOYSA-N 0 0 384.480 3.518 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)nc1 ZINC000176481865 882696884 /nfs/dbraw/zinc/69/68/84/882696884.db2.gz SXXZCTUMYFHPKG-UHFFFAOYSA-N 0 0 387.553 3.612 10 0 GHAERN COc1ccc(C(=O)C2CCN(C(=O)c3c(O)cnc4ccccc43)CC2)cc1 ZINC000176537342 882712560 /nfs/dbraw/zinc/71/25/60/882712560.db2.gz TVSYULLVXYXVAZ-UHFFFAOYSA-N 0 0 390.439 3.684 10 0 GHAERN Cc1nc([C@@H](NC(=O)CCc2nc3c(cccc3C)[nH]2)c2ccccc2F)no1 ZINC000176580191 882716297 /nfs/dbraw/zinc/71/62/97/882716297.db2.gz IGUBUWUAOQCERN-FQEVSTJZSA-N 0 0 393.422 3.540 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000102695585 873463262 /nfs/dbraw/zinc/46/32/62/873463262.db2.gz SWFQKHADWRGMAS-MRXNPFEDSA-N 0 0 383.492 3.593 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc(C)c(C)c3C(N)=O)cc2)n1 ZINC000102838655 873669806 /nfs/dbraw/zinc/66/98/06/873669806.db2.gz ZQYBRRCAFWZXMR-UHFFFAOYSA-N 0 0 382.489 3.578 10 0 GHAERN Cc1cc(C(=O)CCC(=O)NC2CCN(c3cccc(C)n3)CC2)c(C)s1 ZINC000116836646 873726680 /nfs/dbraw/zinc/72/66/80/873726680.db2.gz UUPGFVSWOYHOLI-UHFFFAOYSA-N 0 0 385.533 3.816 10 0 GHAERN S=c1sc(N2CCCC2)nn1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921144 873881244 /nfs/dbraw/zinc/88/12/44/873881244.db2.gz MLRQREYJYQMSOS-CQSZACIVSA-N 0 0 390.534 3.798 10 0 GHAERN Cc1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1 ZINC000004307003 874216494 /nfs/dbraw/zinc/21/64/94/874216494.db2.gz NTVGGKYGLYPIDW-QHCPKHFHSA-N 0 0 387.439 3.554 10 0 GHAERN CN(Cc1ccccc1)C(=O)NCCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117857331 874225932 /nfs/dbraw/zinc/22/59/32/874225932.db2.gz ZDRJLKKGYWXJBD-UHFFFAOYSA-N 0 0 383.517 3.596 10 0 GHAERN COC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1Cl ZINC000118562483 874559498 /nfs/dbraw/zinc/55/94/98/874559498.db2.gz RYHJUHOEFFWCAM-NSHDSACASA-N 0 0 379.869 3.995 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@@H](CCO)c1ccccc1)CCC2 ZINC000177877529 882868490 /nfs/dbraw/zinc/86/84/90/882868490.db2.gz TZKPQRWXASRZJQ-AEFFLSMTSA-N 0 0 387.549 3.891 10 0 GHAERN COc1cc(Cl)c(Cl)cc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000178542729 882902105 /nfs/dbraw/zinc/90/21/05/882902105.db2.gz BWJXHWVZSWNBCZ-UHFFFAOYSA-N 0 0 382.291 3.830 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178313750 882903693 /nfs/dbraw/zinc/90/36/93/882903693.db2.gz LGCLYZFROUVEBN-QUCCMNQESA-N 0 0 395.890 3.590 10 0 GHAERN CCC(=O)c1cccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000178412110 882912748 /nfs/dbraw/zinc/91/27/48/882912748.db2.gz OYVHXGXXHYDKAH-INIZCTEOSA-N 0 0 377.448 3.734 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)NCc3cccc(NC(=O)C4CCC4)c3)CCO2)o1 ZINC000179092604 882951659 /nfs/dbraw/zinc/95/16/59/882951659.db2.gz BQKLIJZSGCPUTA-HXUWFJFHSA-N 0 0 397.475 3.610 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc2ncccc21 ZINC000179079708 882952310 /nfs/dbraw/zinc/95/23/10/882952310.db2.gz GWZOOAAKCSCCIC-UHFFFAOYSA-N 0 0 379.485 3.812 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc4sc(N(C)C)nc4s3)CCO2)o1 ZINC000178896816 882963259 /nfs/dbraw/zinc/96/32/59/882963259.db2.gz FSZWMCTWNIDSEX-GFCCVEGCSA-N 0 0 377.491 3.539 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@@H]2CCc3ccccc32)c2ccccc2F)no1 ZINC000178890953 882961012 /nfs/dbraw/zinc/96/10/12/882961012.db2.gz AMILZHKMZKHBOV-RTBURBONSA-N 0 0 380.423 3.935 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@@H]2CCc3ccccc32)c2ccccc2F)no1 ZINC000178890963 882961515 /nfs/dbraw/zinc/96/15/15/882961515.db2.gz AMILZHKMZKHBOV-MOPGFXCFSA-N 0 0 380.423 3.935 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179356493 882964539 /nfs/dbraw/zinc/96/45/39/882964539.db2.gz ZAAKGPLTKVZUNI-HNNXBMFYSA-N 0 0 385.855 3.800 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179150133 882974703 /nfs/dbraw/zinc/97/47/03/882974703.db2.gz OWAUEGZBRLGXGA-UHFFFAOYSA-N 0 0 396.491 3.988 10 0 GHAERN CCCCOc1c(Cl)cc(C(=O)N2CCC(n3cncn3)CC2)cc1OC ZINC000120424758 876028505 /nfs/dbraw/zinc/02/85/05/876028505.db2.gz QBVUYOOMNQVCEP-UHFFFAOYSA-N 0 0 392.887 3.596 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)c1cccc(CN2CCCC2=O)c1 ZINC000179876135 883034503 /nfs/dbraw/zinc/03/45/03/883034503.db2.gz YCJPRRQGILFPIU-LJQANCHMSA-N 0 0 382.435 3.592 10 0 GHAERN CCOCCC1(CNC(=O)C[C@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000121137823 876563855 /nfs/dbraw/zinc/56/38/55/876563855.db2.gz ZZSAJKWNGDLXDS-QGZVFWFLSA-N 0 0 376.522 3.593 10 0 GHAERN Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000121281792 876718381 /nfs/dbraw/zinc/71/83/81/876718381.db2.gz TYCZQOGOCIDZEH-NRFANRHFSA-N 0 0 379.504 3.905 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180214435 883067049 /nfs/dbraw/zinc/06/70/49/883067049.db2.gz NSHWJSAINGRAIQ-ZIAGYGMSSA-N 0 0 384.423 3.992 10 0 GHAERN O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1CCC[C@@H](c2nccs2)C1 ZINC000180503717 883078063 /nfs/dbraw/zinc/07/80/63/883078063.db2.gz STFJTEZQYMDRHA-LLVKDONJSA-N 0 0 391.859 3.536 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCCc3ccc4[nH]c(=O)[nH]c4c3)C2)cc1 ZINC000122055907 878245641 /nfs/dbraw/zinc/24/56/41/878245641.db2.gz AQIWBHLAJZULMJ-YJBOKZPZSA-N 0 0 393.487 3.592 10 0 GHAERN CC(C)CCOc1cccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000122060481 878246272 /nfs/dbraw/zinc/24/62/72/878246272.db2.gz QXIOCCGBKXAVES-UHFFFAOYSA-N 0 0 394.431 3.739 10 0 GHAERN C=C1c2ccccc2C(=O)N1CC(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122150969 878407570 /nfs/dbraw/zinc/40/75/70/878407570.db2.gz LGHCEGHESXBMHD-MAUKXSAKSA-N 0 0 376.456 3.526 10 0 GHAERN Clc1ccc([C@H](NCc2cnn(Cc3ccccc3)c2)c2ncon2)cc1 ZINC000122635739 879233615 /nfs/dbraw/zinc/23/36/15/879233615.db2.gz IZSFLSGZVJAMCD-IBGZPJMESA-N 0 0 379.851 3.847 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Br)nc2)cc1 ZINC000122972569 879763012 /nfs/dbraw/zinc/76/30/12/879763012.db2.gz QXBQOXQSHUQUSV-INIZCTEOSA-N 0 0 391.265 3.595 10 0 GHAERN CC1(C)CCC[C@H](C(=O)N2CCOC[C@H]2c2nnc(-c3cccs3)o2)C1 ZINC000285919921 879941147 /nfs/dbraw/zinc/94/11/47/879941147.db2.gz GOINOLUBILAROJ-KBPBESRZSA-N 0 0 375.494 3.914 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)c1cccc(CN2CCCC2=O)c1 ZINC000181635513 883169319 /nfs/dbraw/zinc/16/93/19/883169319.db2.gz ASLZBEHOBYBFHU-LJQANCHMSA-N 0 0 382.435 3.592 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)c(Cl)n1 ZINC000181904980 883192414 /nfs/dbraw/zinc/19/24/14/883192414.db2.gz YVAYYAHAJXRSDZ-UHFFFAOYSA-N 0 0 397.866 3.817 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3c4cc(C)ccc4C[C@H]3C)CC2)no1 ZINC000181912022 883192475 /nfs/dbraw/zinc/19/24/75/883192475.db2.gz LFCYOHBNMDFHPT-VLIAUNLRSA-N 0 0 396.491 3.585 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181930935 883193461 /nfs/dbraw/zinc/19/34/61/883193461.db2.gz ABHMRMQPKWWGBB-FCHUYYIVSA-N 0 0 389.499 3.538 10 0 GHAERN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000182104858 883205045 /nfs/dbraw/zinc/20/50/45/883205045.db2.gz OCRTVUGQOJKDFU-SFHVURJKSA-N 0 0 390.447 3.816 10 0 GHAERN CC(C)(C)OC(=O)NCCCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000182608645 883228380 /nfs/dbraw/zinc/22/83/80/883228380.db2.gz VNUNNVNUVOHFJK-LJQANCHMSA-N 0 0 398.507 3.775 10 0 GHAERN Cc1cc2cc(C(=O)N3CCC(n4cncn4)CC3)oc2c(Br)c1 ZINC000183353332 883262205 /nfs/dbraw/zinc/26/22/05/883262205.db2.gz GUFRWRRGHBEPMV-UHFFFAOYSA-N 0 0 389.253 3.573 10 0 GHAERN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CCC(Cc2ccccn2)CC1 ZINC000183787428 883287255 /nfs/dbraw/zinc/28/72/55/883287255.db2.gz BXEOETGWMMCZRN-UHFFFAOYSA-N 0 0 382.414 3.640 10 0 GHAERN CCC1CCC(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000184011569 883298063 /nfs/dbraw/zinc/29/80/63/883298063.db2.gz FQKLORSNBJEWIN-PKUWUEBNSA-N 0 0 375.488 3.887 10 0 GHAERN Cc1ccnc(-c2ccc(NC(=O)N3CCCN(c4ccccn4)CC3)cc2)n1 ZINC000184108485 883319915 /nfs/dbraw/zinc/31/99/15/883319915.db2.gz SIOYCYNCVVNLIO-UHFFFAOYSA-N 0 0 388.475 3.591 10 0 GHAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCCN(c2ccccn2)CC1 ZINC000184137709 883323503 /nfs/dbraw/zinc/32/35/03/883323503.db2.gz HYOSJRLAZPCKPK-UHFFFAOYSA-N 0 0 386.406 3.640 10 0 GHAERN C[S@@](=O)Cc1ccccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000184316282 883343307 /nfs/dbraw/zinc/34/33/07/883343307.db2.gz GSZAMOBPLQVSRC-HHHXNRCGSA-N 0 0 389.496 3.813 10 0 GHAERN CC(C)n1nnnc1-c1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000184626935 883367925 /nfs/dbraw/zinc/36/79/25/883367925.db2.gz FMXQWJZIQPCLSB-AWEZNQCLSA-N 0 0 397.508 3.789 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000185191500 883414461 /nfs/dbraw/zinc/41/44/61/883414461.db2.gz NPCMDUUWVRPDCO-FQEVSTJZSA-N 0 0 396.468 3.639 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(F)cc2C1 ZINC000185243441 883429451 /nfs/dbraw/zinc/42/94/51/883429451.db2.gz MBLPAHWTWCSXKB-XOBRGWDASA-N 0 0 381.451 3.780 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCCC(C)(C)CC2)c2ccc(F)cc2C1 ZINC000185248754 883429494 /nfs/dbraw/zinc/42/94/94/883429494.db2.gz RYKXWXBCZPJOFW-LJQANCHMSA-N 0 0 375.488 3.841 10 0 GHAERN CS[C@@H]1CCCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185249093 883429584 /nfs/dbraw/zinc/42/95/84/883429584.db2.gz DSHVZRIAELMYCF-IEBWSBKVSA-N 0 0 393.528 3.546 10 0 GHAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O ZINC000185288838 883432757 /nfs/dbraw/zinc/43/27/57/883432757.db2.gz UMOKTWHOKLRJGM-BDJLRTHQSA-N 0 0 392.249 3.671 10 0 GHAERN O=C(Nc1ccccc1CC(F)(F)F)N1CCN(c2cccs2)C(=O)C1 ZINC000185369330 883442798 /nfs/dbraw/zinc/44/27/98/883442798.db2.gz WLHQCHXWBYWZFS-UHFFFAOYSA-N 0 0 383.395 3.734 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000185508194 883547282 /nfs/dbraw/zinc/54/72/82/883547282.db2.gz FAIHADDIOVYLJW-FQEVSTJZSA-N 0 0 390.405 3.646 10 0 GHAERN COc1cccc([C@@H](C)CC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185522296 883549992 /nfs/dbraw/zinc/54/99/92/883549992.db2.gz SEICONJFIBZLIX-OYHNWAKOSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2cccc(C)c2C)c2ccc(F)cc2C1 ZINC000185535769 883551771 /nfs/dbraw/zinc/55/17/71/883551771.db2.gz MQJLOBMLTPRSCA-OAQYLSRUSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185540506 883553037 /nfs/dbraw/zinc/55/30/37/883553037.db2.gz RLFVZFDYTWUNHZ-YCRPNKLZSA-N 0 0 384.451 3.511 10 0 GHAERN CCC(CC)c1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)on1 ZINC000185545085 883553940 /nfs/dbraw/zinc/55/39/40/883553940.db2.gz XHXJPHIMADVDDT-SFHVURJKSA-N 0 0 387.455 3.941 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cnc(C(C)C)s2)c2ccc(F)cc2C1 ZINC000185559711 883556906 /nfs/dbraw/zinc/55/69/06/883556906.db2.gz SMSVKAPRASSLKH-INIZCTEOSA-N 0 0 375.469 3.629 10 0 GHAERN CS[C@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185558463 883557265 /nfs/dbraw/zinc/55/72/65/883557265.db2.gz LRTZENRYRDHGBK-PMACEKPBSA-N 0 0 386.492 3.840 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccccc2)O1 ZINC000186574551 883664363 /nfs/dbraw/zinc/66/43/63/883664363.db2.gz CYVGMGFQBYQDRQ-LIRRHRJNSA-N 0 0 380.448 3.658 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1noc(-c2ccccc2)n1 ZINC000186639320 883679005 /nfs/dbraw/zinc/67/90/05/883679005.db2.gz POBYFITUWALYKA-GFCCVEGCSA-N 0 0 392.419 3.597 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCOc4c(Cl)cccc43)ccc2NC1=O ZINC000186644366 883680778 /nfs/dbraw/zinc/68/07/78/883680778.db2.gz BRMSRSXXTPSUSI-INIZCTEOSA-N 0 0 386.839 3.963 10 0 GHAERN CCC(CC)c1cc(CNC(=O)N2CCC(Nc3nccs3)CC2)on1 ZINC000187296888 883778037 /nfs/dbraw/zinc/77/80/37/883778037.db2.gz MVOQVCVYULLZPA-UHFFFAOYSA-N 0 0 377.514 3.821 10 0 GHAERN CC(F)(F)c1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000187454261 883791805 /nfs/dbraw/zinc/79/18/05/883791805.db2.gz PZCWKUSFTCYWOQ-GFCCVEGCSA-N 0 0 379.432 3.600 10 0 GHAERN O=C(c1cc(Br)ncc1Cl)N1CC[C@H](Nc2ccccc2)C1 ZINC000187478955 883793972 /nfs/dbraw/zinc/79/39/72/883793972.db2.gz AHFCEKVUTAWKKE-LBPRGKRZSA-N 0 0 380.673 3.824 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccc(N4CCCC[C@H]4C)cc3C)CC2)n[nH]1 ZINC000188435443 883850864 /nfs/dbraw/zinc/85/08/64/883850864.db2.gz IWSZLDANUJNJLT-GOSISDBHSA-N 0 0 396.539 3.759 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c(C)c1 ZINC000188627883 883867357 /nfs/dbraw/zinc/86/73/57/883867357.db2.gz HCWQCFJUQAGSGQ-UHFFFAOYSA-N 0 0 390.509 3.585 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000188622888 883867645 /nfs/dbraw/zinc/86/76/45/883867645.db2.gz ZQBRAHWHAWHSBE-UHFFFAOYSA-N 0 0 386.399 3.992 10 0 GHAERN O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(Br)ncc1Cl ZINC000188901507 883884140 /nfs/dbraw/zinc/88/41/40/883884140.db2.gz OIUYWHORCSMZHM-CHWSQXEVSA-N 0 0 383.677 3.608 10 0 GHAERN O=C(N[C@H](CCCO)c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189235616 883916439 /nfs/dbraw/zinc/91/64/39/883916439.db2.gz KURIGXQBGSMELH-HXUWFJFHSA-N 0 0 380.488 3.778 10 0 GHAERN Cc1csc([C@@H]2COCCN2CC(=O)Nc2ccccc2SC(F)F)n1 ZINC000189258617 883925475 /nfs/dbraw/zinc/92/54/75/883925475.db2.gz OEHSNRYTJJYIJH-ZDUSSCGKSA-N 0 0 399.488 3.778 10 0 GHAERN Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c(Br)n1 ZINC000189821139 884013691 /nfs/dbraw/zinc/01/36/91/884013691.db2.gz OKEMSMNGEUQPAK-UHFFFAOYSA-N 0 0 387.277 3.861 10 0 GHAERN COc1cccc(CO[C@H](C)C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189836823 884016541 /nfs/dbraw/zinc/01/65/41/884016541.db2.gz YKRNVTHNIYFEKX-QGZVFWFLSA-N 0 0 381.472 3.695 10 0 GHAERN O=C(c1csc(-c2ccccn2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189857379 884017082 /nfs/dbraw/zinc/01/70/82/884017082.db2.gz HXGSGOMMSJNKGX-UHFFFAOYSA-N 0 0 377.469 3.914 10 0 GHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)Nc1cccc(-c3ncon3)c1)CC2 ZINC000190011395 884042120 /nfs/dbraw/zinc/04/21/20/884042120.db2.gz SEBIXFPBZONSBR-LJQANCHMSA-N 0 0 390.443 3.602 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](SCc2ccccc2)C(C)C)C1 ZINC000190054788 884044919 /nfs/dbraw/zinc/04/49/19/884044919.db2.gz ULSWOAXSKJVYOV-KZNAEPCWSA-N 0 0 389.521 3.624 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190240153 884060293 /nfs/dbraw/zinc/06/02/93/884060293.db2.gz WETLXPIJUKMCSB-MANSERQUSA-N 0 0 388.508 3.574 10 0 GHAERN O=C(c1cccc(N2CCOC2=O)c1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190274861 884063192 /nfs/dbraw/zinc/06/31/92/884063192.db2.gz JNMSBPAWYATKCZ-HNNXBMFYSA-N 0 0 386.398 3.941 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCCNC(=O)NC2CCCCC2)n1 ZINC000190375485 884073347 /nfs/dbraw/zinc/07/33/47/884073347.db2.gz WAOJLHIIDMAHAF-RDJZCZTQSA-N 0 0 378.517 3.553 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCC(c3ccncc3)CC2)c2ccccc2F)no1 ZINC000190600733 884091575 /nfs/dbraw/zinc/09/15/75/884091575.db2.gz OGYFXBZLBUGLKW-IBGZPJMESA-N 0 0 395.438 3.591 10 0 GHAERN O=C(NC1CCC2(CCCCC2)CC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000190512268 884095668 /nfs/dbraw/zinc/09/56/68/884095668.db2.gz BURUEEGNPGHNCX-UHFFFAOYSA-N 0 0 383.536 3.943 10 0 GHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000190629841 884105657 /nfs/dbraw/zinc/10/56/57/884105657.db2.gz ZWHQDZYDXLZLFV-AZUAARDMSA-N 0 0 395.507 3.637 10 0 GHAERN O=C(CC1CCC2(CC1)OCCO2)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000191815048 884213314 /nfs/dbraw/zinc/21/33/14/884213314.db2.gz KATBQDVQIDFEMJ-UHFFFAOYSA-N 0 0 376.472 3.552 10 0 GHAERN CC(C)CCOC1CCN(C(=O)C2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000192859123 884306212 /nfs/dbraw/zinc/30/62/12/884306212.db2.gz VNLDCEFDAYGDIB-UHFFFAOYSA-N 0 0 392.565 3.654 10 0 GHAERN Cc1cc2cc(NC(=O)C(=O)N3CC4(CCOCC4)c4ccccc43)ccc2[nH]1 ZINC000192931992 884315434 /nfs/dbraw/zinc/31/54/34/884315434.db2.gz ZSQUSVHPEQZRBN-UHFFFAOYSA-N 0 0 389.455 3.510 10 0 GHAERN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000192980036 884317567 /nfs/dbraw/zinc/31/75/67/884317567.db2.gz WLPSPVYDFDEDSR-UHFFFAOYSA-N 0 0 375.877 3.673 10 0 GHAERN C[C@@H](C(=O)NC1CCC(C)CC1)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685444 884828977 /nfs/dbraw/zinc/82/89/77/884828977.db2.gz YIJGRJDLWWRFOC-LZGREWMHSA-N 0 0 392.496 3.813 10 0 GHAERN O=C(C[S@@](=O)Cc1csc(Br)c1)Nc1ccc(F)cc1F ZINC000105692187 884834448 /nfs/dbraw/zinc/83/44/48/884834448.db2.gz FSPTWNDKRXDAAA-OAQYLSRUSA-N 0 0 394.262 3.676 10 0 GHAERN O=C(CN1CCC[C@H](c2cc[nH]n2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000193582968 885736013 /nfs/dbraw/zinc/73/60/13/885736013.db2.gz YJULGMLTXZXMPB-NSHDSACASA-N 0 0 386.805 3.900 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000105050464 886009686 /nfs/dbraw/zinc/00/96/86/886009686.db2.gz ILNNDAKVNSHLBQ-LJQANCHMSA-N 0 0 393.487 3.843 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(c2nnc3ccccn32)CC1)c1nc(C)cs1 ZINC000105307440 886014778 /nfs/dbraw/zinc/01/47/78/886014778.db2.gz VHGDRXRPNWYXGT-OAHLLOKOSA-N 0 0 384.509 3.535 10 0 GHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000109999362 886167021 /nfs/dbraw/zinc/16/70/21/886167021.db2.gz JWDGLPLMKVNSQQ-YXMGTMDOSA-N 0 0 388.899 3.940 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nnc(C(F)(F)F)s1 ZINC000029289519 886201627 /nfs/dbraw/zinc/20/16/27/886201627.db2.gz BCYWZDRHNOBTCL-UHFFFAOYSA-N 0 0 386.330 3.922 10 0 GHAERN O=C(Nc1ccc(OC(F)F)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112414872 886263043 /nfs/dbraw/zinc/26/30/43/886263043.db2.gz ZLBQZRXDCXYOBJ-UHFFFAOYSA-N 0 0 395.431 3.730 10 0 GHAERN Cc1nc(COc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)no1 ZINC000031111240 886283013 /nfs/dbraw/zinc/28/30/13/886283013.db2.gz GFUJFYMVDSYMSQ-UHFFFAOYSA-N 0 0 375.428 3.887 10 0 GHAERN CC(=O)c1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n(C)c1 ZINC000113219699 886287868 /nfs/dbraw/zinc/28/78/68/886287868.db2.gz ZAJIGTFMMBRYGR-QGZVFWFLSA-N 0 0 376.460 3.638 10 0 GHAERN Cc1nc([C@@H](NC(=O)c2csc(-c3ccccn3)n2)c2ccccc2F)no1 ZINC000114648620 886319256 /nfs/dbraw/zinc/31/92/56/886319256.db2.gz KAVFZXLBPUUZEL-INIZCTEOSA-N 0 0 395.419 3.555 10 0 GHAERN O=Cc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1 ZINC000114691953 886320864 /nfs/dbraw/zinc/32/08/64/886320864.db2.gz OQNFIPNQSGRIGY-UHFFFAOYSA-N 0 0 375.346 3.652 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000117638207 886389699 /nfs/dbraw/zinc/38/96/99/886389699.db2.gz VIMSZDQMPXWHFC-BTYIYWSLSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)c(OCC(=O)N(C)C)c1 ZINC000118015763 886399265 /nfs/dbraw/zinc/39/92/65/886399265.db2.gz OILLHGIQHRRESS-UHFFFAOYSA-N 0 0 399.516 3.845 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@@H]1c1cccc(C)n1 ZINC000119038125 886422342 /nfs/dbraw/zinc/42/23/42/886422342.db2.gz HQGMXLUKCWPDAB-DOJUMQAQSA-N 0 0 382.460 3.793 10 0 GHAERN C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccncc1 ZINC000120264012 886509673 /nfs/dbraw/zinc/50/96/73/886509673.db2.gz UWZYJRZWZDKHME-QTXGHNMQSA-N 0 0 388.512 3.715 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000120267621 886509722 /nfs/dbraw/zinc/50/97/22/886509722.db2.gz VBBRWSZFKPJIKH-JCURWCKSSA-N 0 0 379.382 3.679 10 0 GHAERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000332808980 886548867 /nfs/dbraw/zinc/54/88/67/886548867.db2.gz GTNZMRQHGGSXIG-RQJABVFESA-N 0 0 387.402 3.652 10 0 GHAERN CCO[C@H]1C[C@@H](NC(=O)N(C)[C@H]2CCCC[C@H]2C(F)(F)F)C12CCOCC2 ZINC000332891766 886557575 /nfs/dbraw/zinc/55/75/75/886557575.db2.gz FIBNIGKHDRMQOL-QXSJWSMHSA-N 0 0 392.462 3.723 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C)CCC2 ZINC000332896085 886557950 /nfs/dbraw/zinc/55/79/50/886557950.db2.gz UVVRZOCABFQCMK-QZTJIDSGSA-N 0 0 384.528 3.736 10 0 GHAERN COc1cc2c(c(CN[C@H](c3ncon3)c3ccc(Cl)cc3)c1)O[C@H](C)C2 ZINC000122577112 886592202 /nfs/dbraw/zinc/59/22/02/886592202.db2.gz UQQNJYCOFHXRFK-XIKOKIGWSA-N 0 0 385.851 3.934 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000122541675 886592419 /nfs/dbraw/zinc/59/24/19/886592419.db2.gz UIASSRVIFVKKCZ-YLJYHZDGSA-N 0 0 385.508 3.592 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124210020 886719328 /nfs/dbraw/zinc/71/93/28/886719328.db2.gz HEMHBOWTCDDCCH-ROUUACIJSA-N 0 0 383.427 3.794 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124321059 886731454 /nfs/dbraw/zinc/73/14/54/886731454.db2.gz IMHHKRTTYYRHTP-CPUCHLNUSA-N 0 0 392.500 3.922 10 0 GHAERN O=C(c1cc(C2CCCCC2)n[nH]1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000124460849 886751793 /nfs/dbraw/zinc/75/17/93/886751793.db2.gz MCQJAZARGQFXIQ-UHFFFAOYSA-N 0 0 386.540 3.712 10 0 GHAERN O=C(c1ccc(N2CCOC2=O)cc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124663976 886780345 /nfs/dbraw/zinc/78/03/45/886780345.db2.gz OCVAKAXHANSWBE-GOSISDBHSA-N 0 0 386.835 3.590 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)nc1 ZINC000124802530 886798955 /nfs/dbraw/zinc/79/89/55/886798955.db2.gz WFEIOAKUGQVCMM-RTWAWAEBSA-N 0 0 394.519 3.578 10 0 GHAERN Cc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c2cnn(C)c2n1 ZINC000125987131 886918952 /nfs/dbraw/zinc/91/89/52/886918952.db2.gz AYORLFULAGBNKZ-UHFFFAOYSA-N 0 0 384.867 3.614 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126278401 886950197 /nfs/dbraw/zinc/95/01/97/886950197.db2.gz VYXUPSREOSIFMG-RTWAWAEBSA-N 0 0 381.520 3.509 10 0 GHAERN O=C(c1ccc(SC(F)(F)F)cc1)N1CCC(c2ccnn2CCO)CC1 ZINC000126291582 886952290 /nfs/dbraw/zinc/95/22/90/886952290.db2.gz LVNPKJHGAWPEJY-UHFFFAOYSA-N 0 0 399.438 3.507 10 0 GHAERN O=[S@](Cc1nc(-c2ccsc2)no1)Cc1cc(Cl)cc2c1OCOC2 ZINC000126544404 886980773 /nfs/dbraw/zinc/98/07/73/886980773.db2.gz SQUPNVDOZIFHAS-RUZDIDTESA-N 0 0 396.877 3.767 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)cc(Cl)c1OC ZINC000126567254 886983095 /nfs/dbraw/zinc/98/30/95/886983095.db2.gz SYNNMVPGIIRCFE-PCLVQLBSSA-N 0 0 389.883 3.677 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)/C=C/c3c(Cl)nc4sccn34)CCO2)o1 ZINC000127277590 887046639 /nfs/dbraw/zinc/04/66/39/887046639.db2.gz AMNNSCHSKNMBEI-LYKUJDHUSA-N 0 0 377.853 3.564 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)CCO2)o1 ZINC000127319380 887052201 /nfs/dbraw/zinc/05/22/01/887052201.db2.gz XOKFAKCDOKXUHJ-GOSISDBHSA-N 0 0 399.422 3.700 10 0 GHAERN O=C(c1cnn2c1CCCC2)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000127454786 887064347 /nfs/dbraw/zinc/06/43/47/887064347.db2.gz DDEZZDMBNKILEF-KRWDZBQOSA-N 0 0 375.476 3.629 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1)c1c(C)noc1C ZINC000128934322 887244266 /nfs/dbraw/zinc/24/42/66/887244266.db2.gz KQIBPECTQDWVOT-FHWLQOOXSA-N 0 0 399.491 3.731 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc4c(c3)CCC(=O)N4C)c21 ZINC000105053126 887369186 /nfs/dbraw/zinc/36/91/86/887369186.db2.gz JMNXMZQBQQAWED-UHFFFAOYSA-N 0 0 376.460 3.750 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000130559421 887448211 /nfs/dbraw/zinc/44/82/11/887448211.db2.gz HQQSXOFHNDQLAD-IVCQMTBJSA-N 0 0 378.881 3.763 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3C)CC2)s1 ZINC000130621561 887457795 /nfs/dbraw/zinc/45/77/95/887457795.db2.gz KUKHQNMXCHEJIF-MOPGFXCFSA-N 0 0 382.529 3.889 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1F ZINC000130679083 887462307 /nfs/dbraw/zinc/46/23/07/887462307.db2.gz KSTYZBZJQYKAGG-CSKARUKUSA-N 0 0 396.462 3.577 10 0 GHAERN CCc1nc(CS(=O)(=O)Cc2noc(-c3ccccc3Cl)n2)cs1 ZINC000048707312 887486469 /nfs/dbraw/zinc/48/64/69/887486469.db2.gz LCULMLDQSYJPKA-UHFFFAOYSA-N 0 0 383.882 3.524 10 0 GHAERN COc1cc(F)c(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1OC ZINC000131225762 887520055 /nfs/dbraw/zinc/52/00/55/887520055.db2.gz RGFXTVCOZNRAII-FQEVSTJZSA-N 0 0 391.414 3.568 10 0 GHAERN C[C@H](CC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000131814347 887577779 /nfs/dbraw/zinc/57/77/79/887577779.db2.gz HPHJJCOXIUUMTN-CQSZACIVSA-N 0 0 392.471 3.895 10 0 GHAERN C[C@@H](CC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(F)cc1F ZINC000131814146 887578442 /nfs/dbraw/zinc/57/84/42/887578442.db2.gz HPHJJCOXIUUMTN-AWEZNQCLSA-N 0 0 392.471 3.895 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCCCOCc1ccccc1 ZINC000050690644 887696675 /nfs/dbraw/zinc/69/66/75/887696675.db2.gz OVGSJSYVQSIRMR-IBGZPJMESA-N 0 0 384.501 3.603 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000105149301 887718730 /nfs/dbraw/zinc/71/87/30/887718730.db2.gz YMQIABDMTTUSSW-UHFFFAOYSA-N 0 0 397.523 3.776 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@](=O)Cc2nc(-c3cccc(C)c3)no2)n1 ZINC000133069398 887728283 /nfs/dbraw/zinc/72/82/83/887728283.db2.gz JQFDVZIEYVBVHN-GWQKEKGPSA-N 0 0 392.506 3.691 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000133672771 887789126 /nfs/dbraw/zinc/78/91/26/887789126.db2.gz SDTIFIHCOPEKHA-INIZCTEOSA-N 0 0 398.511 3.586 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCc2ccc(C(C)(C)C)cc2)C1 ZINC000134284757 887848627 /nfs/dbraw/zinc/84/86/27/887848627.db2.gz GEQXHGWDLOPASI-NQIIRXRSSA-N 0 0 383.536 3.622 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000134395294 887868629 /nfs/dbraw/zinc/86/86/29/887868629.db2.gz OHVRUEBBZSTKKI-HRAATJIYSA-N 0 0 397.544 3.930 10 0 GHAERN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000052685428 887871832 /nfs/dbraw/zinc/87/18/32/887871832.db2.gz KGZQBAGQVGGTEE-LJQANCHMSA-N 0 0 385.552 3.745 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000053955459 888255543 /nfs/dbraw/zinc/25/55/43/888255543.db2.gz PLALBIKHFWVFTD-HKUYNNGSSA-N 0 0 375.476 3.696 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1cccs1 ZINC000056440157 888361071 /nfs/dbraw/zinc/36/10/71/888361071.db2.gz KIBIOTRNXOGHHA-UHFFFAOYSA-N 0 0 393.306 3.545 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000056442292 888361757 /nfs/dbraw/zinc/36/17/57/888361757.db2.gz CFNWMFMEUDFHEO-DLENHJPASA-N 0 0 385.485 3.522 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)cc1 ZINC000057217797 888393012 /nfs/dbraw/zinc/39/30/12/888393012.db2.gz DBZUWAKRMCBMQY-UHFFFAOYSA-N 0 0 392.499 3.789 10 0 GHAERN CNC(=O)c1ccc(C=CC(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)cc1 ZINC000061230551 888485863 /nfs/dbraw/zinc/48/58/63/888485863.db2.gz UWORDFVYLQAASM-MEJUDOHFSA-N 0 0 388.471 3.608 10 0 GHAERN Cc1nc([C@H](NC(=O)Nc2ccc(Cl)nc2C)c2ccccc2F)no1 ZINC000194695690 888632249 /nfs/dbraw/zinc/63/22/49/888632249.db2.gz WZPGDLMQKIQJGO-OAHLLOKOSA-N 0 0 375.791 3.785 10 0 GHAERN CC(C)c1nnc2n1C[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)CC2 ZINC000195263534 888674174 /nfs/dbraw/zinc/67/41/74/888674174.db2.gz SVHDWZYCAKHKLT-PPYMECGQSA-N 0 0 378.398 3.565 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)CC2 ZINC000195263528 888674388 /nfs/dbraw/zinc/67/43/88/888674388.db2.gz SVHDWZYCAKHKLT-RZIFZGNASA-N 0 0 378.398 3.565 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245672340 889199942 /nfs/dbraw/zinc/19/99/42/889199942.db2.gz DVQZDVCKGQBEPX-FXAWDEMLSA-N 0 0 399.539 3.634 10 0 GHAERN CN1CC[C@@H](CNC(=O)c2cc(C3CC3)on2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245682403 889216698 /nfs/dbraw/zinc/21/66/98/889216698.db2.gz KGURHUZEXUZABU-SCLBCKFNSA-N 0 0 377.847 3.767 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000245722862 889453846 /nfs/dbraw/zinc/45/38/46/889453846.db2.gz DNBJDKSMWUVWDO-PMACEKPBSA-N 0 0 397.519 3.845 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000068275900 891173565 /nfs/dbraw/zinc/17/35/65/891173565.db2.gz CMGMYUUMGWSWSC-DOTOQJQBSA-N 0 0 378.428 3.814 10 0 GHAERN COc1ccc(Cl)c(NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000068381148 891176782 /nfs/dbraw/zinc/17/67/82/891176782.db2.gz HYSYKACKBATXLQ-GFCCVEGCSA-N 0 0 378.881 3.901 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N3CCC[C@@H](c4nccs4)C3)CC2)cs1 ZINC000068355298 891176837 /nfs/dbraw/zinc/17/68/37/891176837.db2.gz QPOXTPKEFXGVBD-MRXNPFEDSA-N 0 0 390.578 3.526 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cc(F)ccc2Br)c2ccccc2)[nH]1 ZINC000068364861 891177192 /nfs/dbraw/zinc/17/71/92/891177192.db2.gz DFPWUETWKUFMJD-OAHLLOKOSA-N 0 0 389.228 3.534 10 0 GHAERN C[C@H](NC(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccncc1 ZINC000068412569 891178199 /nfs/dbraw/zinc/17/81/99/891178199.db2.gz KVWMCFGNOLOBTA-ZDUSSCGKSA-N 0 0 389.381 3.847 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000068670490 891184473 /nfs/dbraw/zinc/18/44/73/891184473.db2.gz SUYVLUGUOAAPCY-CABCVRRESA-N 0 0 391.302 3.672 10 0 GHAERN Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000246541108 891284776 /nfs/dbraw/zinc/28/47/76/891284776.db2.gz VXEVMWNOYOEIHE-CRFBAAHOSA-N 0 0 392.956 3.934 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCO[C@@H](c4cccc(F)c4)C3)cc2)CCO1 ZINC000246736638 891302972 /nfs/dbraw/zinc/30/29/72/891302972.db2.gz NUKOFBKOSZVGNB-IIBYNOLFSA-N 0 0 399.466 3.656 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000247943505 891401634 /nfs/dbraw/zinc/40/16/34/891401634.db2.gz GXCVPVPIXDVTHO-BHDDXSALSA-N 0 0 398.547 3.530 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c2ccccc2)[nH]1 ZINC000248610271 891444969 /nfs/dbraw/zinc/44/49/69/891444969.db2.gz HTMVYTFRYXJRNH-PMUMKWKESA-N 0 0 386.377 3.540 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)CCC[C@H]2C)c2ccc(F)cc2C1 ZINC000248617537 891446500 /nfs/dbraw/zinc/44/65/00/891446500.db2.gz JNPMPOSXYZNLMD-MDOVXXIYSA-N 0 0 375.488 3.839 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000248820350 891471458 /nfs/dbraw/zinc/47/14/58/891471458.db2.gz FBMWCHJGFVABOY-LCMHIETFSA-N 0 0 385.464 3.557 10 0 GHAERN Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cs1 ZINC000251620103 891633717 /nfs/dbraw/zinc/63/37/17/891633717.db2.gz GMYKZOPHVBKXSW-APGBAIEXSA-N 0 0 384.501 3.727 10 0 GHAERN CCCN(C(=O)c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C(C)C ZINC000252687015 891725389 /nfs/dbraw/zinc/72/53/89/891725389.db2.gz AVUNJPSDZMIFMJ-BHIYHBOVSA-N 0 0 387.524 3.882 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000102613987 898019115 /nfs/dbraw/zinc/01/91/15/898019115.db2.gz VGWRYMREBZUNRB-UHFFFAOYSA-N 0 0 375.900 3.802 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000104266521 898134421 /nfs/dbraw/zinc/13/44/21/898134421.db2.gz FPHLFZAVPGNUBH-KBXCAEBGSA-N 0 0 389.459 3.812 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1CCCO1 ZINC000105598789 898213329 /nfs/dbraw/zinc/21/33/29/898213329.db2.gz AQNHOZAZMDTQBD-AWEZNQCLSA-N 0 0 376.840 3.745 10 0 GHAERN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000105737699 898232862 /nfs/dbraw/zinc/23/28/62/898232862.db2.gz ICZCRJLRBDBXRP-UHFFFAOYSA-N 0 0 393.484 3.622 10 0 GHAERN CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000334070061 902537853 /nfs/dbraw/zinc/53/78/53/902537853.db2.gz GPHXKKUPCGSVHU-DMRKSPOLSA-N 0 0 392.462 3.723 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCCOc3c(F)cccc31)C2 ZINC000183834361 907464176 /nfs/dbraw/zinc/46/41/76/907464176.db2.gz CYDIPTDUZIRVNO-MRXNPFEDSA-N 0 0 386.471 3.664 10 0 GHAERN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184143407 907524568 /nfs/dbraw/zinc/52/45/68/907524568.db2.gz DCTCZWMPMDXLTR-MRXNPFEDSA-N 0 0 390.438 3.832 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000187124114 908043073 /nfs/dbraw/zinc/04/30/73/908043073.db2.gz ORMSMBDBFGQDDE-YCPHGPKFSA-N 0 0 379.526 3.808 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000189114336 908285207 /nfs/dbraw/zinc/28/52/07/908285207.db2.gz IXQWWDFADQAUAD-PZJWPPBQSA-N 0 0 391.471 3.889 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(COC(C)C)cc2)cs1 ZINC000189436955 908322250 /nfs/dbraw/zinc/32/22/50/908322250.db2.gz ILBLDOCJYPLYCN-SFHVURJKSA-N 0 0 387.505 3.679 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3ccc(F)cc3c2C)C1 ZINC000190008003 908401030 /nfs/dbraw/zinc/40/10/30/908401030.db2.gz HRKPLMMBHFJTRV-TZMCWYRMSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3ccc(F)cc3c2C)C1 ZINC000190008021 908401088 /nfs/dbraw/zinc/40/10/88/908401088.db2.gz HRKPLMMBHFJTRV-OCCSQVGLSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 ZINC000190033487 908408606 /nfs/dbraw/zinc/40/86/06/908408606.db2.gz FAJWMJKTHYKFOH-IRZHHCKBSA-N 0 0 395.381 3.789 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190069332 908419246 /nfs/dbraw/zinc/41/92/46/908419246.db2.gz UHKOOMUATRNRNG-JSGCOSHPSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000190085487 908423257 /nfs/dbraw/zinc/42/32/57/908423257.db2.gz CFLSBMJBBQCGNN-LPHOPBHVSA-N 0 0 387.443 3.955 10 0 GHAERN CCCOc1ccc(Cl)cc1NC(=O)N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190121065 908431391 /nfs/dbraw/zinc/43/13/91/908431391.db2.gz ZQDLISUACOADPF-ZFWWWQNUSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 ZINC000190126380 908432592 /nfs/dbraw/zinc/43/25/92/908432592.db2.gz CEZBFMSQKAINDF-RISCZKNCSA-N 0 0 385.251 3.987 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)C1 ZINC000190125393 908432613 /nfs/dbraw/zinc/43/26/13/908432613.db2.gz LXLLDECZZFTZON-IRXDYDNUSA-N 0 0 397.435 3.644 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000190128296 908434223 /nfs/dbraw/zinc/43/42/23/908434223.db2.gz SPDKGGVAHJJHQO-GWCFXTLKSA-N 0 0 388.321 3.530 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2ccc(C)s2)C1 ZINC000190141234 908436884 /nfs/dbraw/zinc/43/68/84/908436884.db2.gz PSSLCKDJAOQGNA-UKRRQHHQSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1cc(F)c(Br)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000190889723 908538295 /nfs/dbraw/zinc/53/82/95/908538295.db2.gz HARFJUSJJLIMRB-ZDUSSCGKSA-N 0 0 382.237 3.774 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCc4cc(Cl)ccc43)CCO2)n1 ZINC000194085124 908914404 /nfs/dbraw/zinc/91/44/04/908914404.db2.gz YRIYNBZRTZXFLU-HOTGVXAUSA-N 0 0 377.897 3.875 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCSc4c(F)cccc43)CCO2)n1 ZINC000194072499 908914487 /nfs/dbraw/zinc/91/44/87/908914487.db2.gz HKRMDPOTLFQJMR-GJZGRUSLSA-N 0 0 393.509 3.911 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CCO2)n1 ZINC000194324553 908937089 /nfs/dbraw/zinc/93/70/89/908937089.db2.gz GUZNLVTVMFXKHY-RDJZCZTQSA-N 0 0 387.505 3.837 10 0 GHAERN CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(Cc1ccco1)CC2 ZINC000014733248 919340488 /nfs/dbraw/zinc/34/04/88/919340488.db2.gz PUBWJYKNNQAXIY-UHFFFAOYSA-N 0 0 393.487 3.844 10 0 GHAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@@H]1C[C@H]1CCCc2ccccc21 ZINC000365140929 920426395 /nfs/dbraw/zinc/42/63/95/920426395.db2.gz XPHWGHKVKSVKDT-IAGOWNOFSA-N 0 0 376.460 3.550 10 0 GHAERN c1ccn2c(c1)nnc2C[C@H]1CCCN(Cc2noc(C3CCCCC3)n2)C1 ZINC000368399991 922648497 /nfs/dbraw/zinc/64/84/97/922648497.db2.gz NTKRVXYZSZYGHO-MRXNPFEDSA-N 0 0 380.496 3.615 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(C(=O)[O-])cs2)CC(C)(C)C1 ZINC000710401848 977508175 /nfs/dbraw/zinc/50/81/75/977508175.db2.gz TVZBDXUFRJAWKK-CQSZACIVSA-N 0 0 382.526 3.962 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2c2ccco2)c2ccc(F)cc2C1 ZINC000184029704 1014571114 /nfs/dbraw/zinc/57/11/14/1014571114.db2.gz AZHUVLKDFRNLFA-OALUTQOASA-N 0 0 385.439 3.759 10 0 GHAERN CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000017945991 210210958 /nfs/dbraw/zinc/21/09/58/210210958.db2.gz FTYCHAZOSDWVGO-CQSZACIVSA-N 0 0 375.900 3.517 10 0 GHAERN CC[C@H](C)NC(=S)N(Cc1ccco1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000017080205 210202989 /nfs/dbraw/zinc/20/29/89/210202989.db2.gz VYYVKCWZVLDQKA-AWEZNQCLSA-N 0 0 392.521 3.981 10 0 GHAERN Cc1oc(-c2cccc(F)c2F)nc1CN1CCN(C2CCCC2)C(=O)C1 ZINC000015065983 210149036 /nfs/dbraw/zinc/14/90/36/210149036.db2.gz XBEASAFOSLZQLM-UHFFFAOYSA-N 0 0 375.419 3.515 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(C)c2=O)cc1 ZINC000006694820 209669218 /nfs/dbraw/zinc/66/92/18/209669218.db2.gz FDLGPHISJAZTGJ-HNNXBMFYSA-N 0 0 392.459 3.845 10 0 GHAERN O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccc2c(c1)OCO2 ZINC000002214129 209349808 /nfs/dbraw/zinc/34/98/08/209349808.db2.gz VBQJIXVNGOIMCX-OVCLIPMQSA-N 0 0 381.438 3.697 10 0 GHAERN CCOC(=O)c1c(NC(=O)COc2ccc(OCC)cc2)sc2c1CCC2 ZINC000001903835 209342696 /nfs/dbraw/zinc/34/26/96/209342696.db2.gz CGRCQPBPFQWIJL-UHFFFAOYSA-N 0 0 389.473 3.830 10 0 GHAERN COc1ccc(CN2C[C@H](c3ccc(Br)cc3)OCC2=O)cc1 ZINC000090547638 209237606 /nfs/dbraw/zinc/23/76/06/209237606.db2.gz XINYSENTKJJPSM-QGZVFWFLSA-N 0 0 376.250 3.558 10 0 GHAERN C[C@H]1Oc2nc(C(F)(F)F)nc(N)c2N=C1c1ccc(Br)cc1 ZINC000261508708 209223644 /nfs/dbraw/zinc/22/36/44/209223644.db2.gz WBEPYXCIVWVBAA-ZCFIWIBFSA-N 0 0 387.159 3.742 10 0 GHAERN Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(F)c2C)cc1 ZINC000006205061 212068415 /nfs/dbraw/zinc/06/84/15/212068415.db2.gz JQBSOLJZMZQNAT-LJQANCHMSA-N 0 0 392.496 3.774 10 0 GHAERN Clc1ncc(I)c(Cl)c1I ZINC000253495157 211992559 /nfs/dbraw/zinc/99/25/59/211992559.db2.gz AVTIMJAZYYPORG-UHFFFAOYSA-N 0 0 399.784 3.598 10 0 GHAERN Cc1ccc(C)c(C(=O)N2CCC(c3nc(CNC(=O)C4CC4)cs3)CC2)c1 ZINC000096372602 211335987 /nfs/dbraw/zinc/33/59/87/211335987.db2.gz MWAFTQFZQJSPCB-UHFFFAOYSA-N 0 0 397.544 3.806 10 0 GHAERN CCOC(=O)c1cc(OC(C)=O)c2c(c1)c(Br)cc(OC)c2OC ZINC000095937573 211283817 /nfs/dbraw/zinc/28/38/17/211283817.db2.gz RUQYMHLMXPAROG-UHFFFAOYSA-N 0 0 397.221 3.722 10 0 GHAERN COc1ccc2c(c1)[nH]c1c2CCN2C[C@H]3[C@@H](C)OC=C(OC(C)=O)[C@H]3C[C@@H]12 ZINC000095801870 211281767 /nfs/dbraw/zinc/28/17/67/211281767.db2.gz YRWVTQHOXFHJIY-UKBILQQUSA-N 0 0 382.460 3.535 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1C[S@](=O)c1nc2ccccc2nc1Cl ZINC000095086032 211219044 /nfs/dbraw/zinc/21/90/44/211219044.db2.gz HPNQKURYBKTCOH-GWQKEKGPSA-N 0 0 395.912 3.790 10 0 GHAERN COc1nc2ccccc2nc1N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076520 211218790 /nfs/dbraw/zinc/21/87/90/211218790.db2.gz LQFZPAQKHUWTGA-HNNXBMFYSA-N 0 0 386.496 3.864 10 0 GHAERN COc1ccc(CN(C(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000095076299 211218542 /nfs/dbraw/zinc/21/85/42/211218542.db2.gz HXZWYEYQMBSGGV-IBGZPJMESA-N 0 0 388.508 3.976 10 0 GHAERN COc1nc2ccccc2nc1N(C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076519 211218041 /nfs/dbraw/zinc/21/80/41/211218041.db2.gz LQFZPAQKHUWTGA-OAHLLOKOSA-N 0 0 386.496 3.864 10 0 GHAERN CN(c1nc2ccccc2nc1NC1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074133 211217223 /nfs/dbraw/zinc/21/72/23/211217223.db2.gz OZZMTPKYHHJRJJ-OAHLLOKOSA-N 0 0 383.496 3.650 10 0 GHAERN CC(C)(C)OC(=O)N1CCC2(CNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000091353179 211189521 /nfs/dbraw/zinc/18/95/21/211189521.db2.gz JNTNTUCDODHOSZ-HNNXBMFYSA-N 0 0 398.425 3.936 10 0 GHAERN CCc1ccc([C@]2(Cc3ccc(OCc4ccccc4)cc3)NC(N)=NC2=O)cc1 ZINC000071974320 211066246 /nfs/dbraw/zinc/06/62/46/211066246.db2.gz QUAYPVFDVOOZEE-VWLOTQADSA-N 0 0 399.494 3.711 10 0 GHAERN [NH3+][C@@H](c1ccccc1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610563 211049884 /nfs/dbraw/zinc/04/98/84/211049884.db2.gz WJWPTEDHXBVAGO-VXKWHMMOSA-N 0 0 387.435 3.743 10 0 GHAERN CNc1cc(C(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)ccn1 ZINC000067654619 211015823 /nfs/dbraw/zinc/01/58/23/211015823.db2.gz PEUSGHSCXIAXFL-GOSISDBHSA-N 0 0 375.476 3.842 10 0 GHAERN Cc1oc2nc(C)nc(N3CCC[C@@H](C(=O)NCc4ccccc4F)C3)c2c1C ZINC000032960379 210607893 /nfs/dbraw/zinc/60/78/93/210607893.db2.gz PVXAWTRNAWCFOR-QGZVFWFLSA-N 0 0 396.466 3.820 10 0 GHAERN CCOC(=O)c1ccc(NC(=O)c2cnc(SC)nc2C(F)(F)F)cc1 ZINC000020931662 210371213 /nfs/dbraw/zinc/37/12/13/210371213.db2.gz WKWCNWUUDXSNEQ-UHFFFAOYSA-N 0 0 385.367 3.646 10 0 GHAERN OC(c1ccccc1)(c1ccccc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000020509441 210343931 /nfs/dbraw/zinc/34/39/31/210343931.db2.gz NWIBJKQZKJJBAI-UHFFFAOYSA-N 0 0 376.475 3.837 10 0 GHAERN CC[C@H]1c2cccn2CCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840065 221130943 /nfs/dbraw/zinc/13/09/43/221130943.db2.gz HZRHHRNMCJBWDV-SFHVURJKSA-N 0 0 378.476 3.627 10 0 GHAERN COc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260775 136167736 /nfs/dbraw/zinc/16/77/36/136167736.db2.gz DXKPQVMKNLRJAM-HOTGVXAUSA-N 0 0 378.476 3.864 10 0 GHAERN COc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)nc3ccccc32)cc1 ZINC000072260776 136167768 /nfs/dbraw/zinc/16/77/68/136167768.db2.gz DXKPQVMKNLRJAM-HZPDHXFCSA-N 0 0 378.476 3.864 10 0 GHAERN CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCC(=O)N3C)no1 ZINC000095528175 535370204 /nfs/dbraw/zinc/37/02/04/535370204.db2.gz SCJXUWNQBDUOME-HNNXBMFYSA-N 0 0 384.436 3.522 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc2snnc2c1 ZINC000005152159 570228352 /nfs/dbraw/zinc/22/83/52/570228352.db2.gz RJKNUQSVWVRPMK-UHFFFAOYSA-N 0 0 381.461 3.961 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(C)C ZINC000006818363 570284955 /nfs/dbraw/zinc/28/49/55/570284955.db2.gz RLFBSPWOAVDYSD-HNNXBMFYSA-N 0 0 386.926 3.652 10 0 GHAERN Cc1cc([C@@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)c3ccccc3)C2)ccc1F ZINC000034715004 570318780 /nfs/dbraw/zinc/31/87/80/570318780.db2.gz HZQSMVLYRUFFCP-RTBURBONSA-N 0 0 380.463 3.659 10 0 GHAERN C[C@H]1CN(CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872447 570442333 /nfs/dbraw/zinc/44/23/33/570442333.db2.gz HJLNRRDGILOEQI-INIZCTEOSA-N 0 0 393.512 3.709 10 0 GHAERN Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(=O)n(-c2cc(Cl)ccc2C)n1 ZINC000033125624 570447728 /nfs/dbraw/zinc/44/77/28/570447728.db2.gz AKXHYCBYPBRJJM-HNNXBMFYSA-N 0 0 397.862 3.909 10 0 GHAERN O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCC3)s2)C1)c1ccco1 ZINC000011955693 570450687 /nfs/dbraw/zinc/45/06/87/570450687.db2.gz CCSQFQXJWWVSOF-KRWDZBQOSA-N 0 0 387.549 3.579 10 0 GHAERN Nc1c2c(nn1Cc1ccccc1)nc(N1CCCC1)nc2-c1ccc(F)cc1 ZINC000035929869 570480489 /nfs/dbraw/zinc/48/04/89/570480489.db2.gz BOIMYXXPKODQJE-UHFFFAOYSA-N 0 0 388.450 3.863 10 0 GHAERN COc1cccc([C@H]2CN(C(=O)C(C)C)C[C@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060380 570524683 /nfs/dbraw/zinc/52/46/83/570524683.db2.gz VQDVNEWLHHALHS-FGZHOGPDSA-N 0 0 394.515 3.552 10 0 GHAERN Cc1ccc(CC(=O)N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000065058382 570666981 /nfs/dbraw/zinc/66/69/81/570666981.db2.gz OZCNYEMJFJESFX-QHCPKHFHSA-N 0 0 382.479 3.622 10 0 GHAERN Cc1ccsc1C(=O)N1CC[C@]2(C1)NCc1ccccc1NC2=NC(C)(C)C ZINC000065265955 570768835 /nfs/dbraw/zinc/76/88/35/570768835.db2.gz SRTFFEUJUVFLAL-JOCHJYFZSA-N 0 0 396.560 3.863 10 0 GHAERN Cc1sc2c(ncn(C3CCCC3)c2=O)c1C(=O)NCc1ccc(F)cc1 ZINC000065297635 570787378 /nfs/dbraw/zinc/78/73/78/570787378.db2.gz AZGACEPDPYYSIV-UHFFFAOYSA-N 0 0 385.464 3.951 10 0 GHAERN CC(=O)Nc1snc([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC000498050535 570909273 /nfs/dbraw/zinc/90/92/73/570909273.db2.gz LPWSZJRSDXSJNG-VIFPVBQESA-N 0 0 390.303 3.588 10 0 GHAERN COC(=O)c1ccc(CN2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)cc1 ZINC000037521663 571023194 /nfs/dbraw/zinc/02/31/94/571023194.db2.gz LCZKJKVQPCWJCY-OAHLLOKOSA-N 0 0 386.879 3.672 10 0 GHAERN CN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000007285145 837420642 /nfs/dbraw/zinc/42/06/42/837420642.db2.gz JSFCAKWLNXGUOI-UHFFFAOYSA-N 0 0 382.938 3.974 10 0 GHAERN NC(=O)[C@@H](N[C@H](c1ccco1)c1ccccc1)c1ccc(Br)cc1 ZINC000105400641 837545323 /nfs/dbraw/zinc/54/53/23/837545323.db2.gz OLAFDQMRKAOMHH-ROUUACIJSA-N 0 0 385.261 3.948 10 0 GHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000105805695 837588966 /nfs/dbraw/zinc/58/89/66/837588966.db2.gz BJAPBXBYNKWQSD-KRWDZBQOSA-N 0 0 380.488 3.959 10 0 GHAERN Cc1ccc(Oc2ccccc2NC(=O)CN2CCC(n3cncn3)CC2)cc1 ZINC000156589439 834444528 /nfs/dbraw/zinc/44/45/28/834444528.db2.gz RXGWKNIMXBIITN-UHFFFAOYSA-N 0 0 391.475 3.654 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000110894776 834800531 /nfs/dbraw/zinc/80/05/31/834800531.db2.gz QXPYSKWVFTWACM-INIZCTEOSA-N 0 0 382.508 3.945 10 0 GHAERN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)C(=O)Nc1cccc(F)c1 ZINC000157518163 834959367 /nfs/dbraw/zinc/95/93/67/834959367.db2.gz GORVLEQZROXYTF-LJQANCHMSA-N 0 0 392.434 3.834 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccccc1Br ZINC000049080524 834980076 /nfs/dbraw/zinc/98/00/76/834980076.db2.gz ZIBVPHUCWKQFCG-SWLSCSKDSA-N 0 0 391.265 3.524 10 0 GHAERN CCc1ccc(/C=C/C(=O)N[C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)o1 ZINC000157576112 834983563 /nfs/dbraw/zinc/98/35/63/834983563.db2.gz BBSHDEQMWATVLO-MHNQQFQPSA-N 0 0 395.459 3.512 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)NCc3ccnc(OC4CCCCC4)c3)C2)c1 ZINC000111848196 835000059 /nfs/dbraw/zinc/00/00/59/835000059.db2.gz ZEIAETBGILHEMB-LJQANCHMSA-N 0 0 397.523 3.845 10 0 GHAERN CCC[C@H](NC(=O)N1CCN([C@@H](C)c2nc(C)no2)CC1)C1CCCCC1 ZINC000111854676 835003925 /nfs/dbraw/zinc/00/39/25/835003925.db2.gz ZZXPDPLRXYRSAZ-YJBOKZPZSA-N 0 0 377.533 3.515 10 0 GHAERN CC/C(=C/C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OC)cc1 ZINC000588584024 835110319 /nfs/dbraw/zinc/11/03/19/835110319.db2.gz KWGDPDUXBPRLKE-JIHAQRTOSA-N 0 0 396.462 3.545 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1sccc1NC(=O)c1ccncc1 ZINC000101525210 835306648 /nfs/dbraw/zinc/30/66/48/835306648.db2.gz LZNOGJJXCIKYCX-UHFFFAOYSA-N 0 0 391.412 3.698 10 0 GHAERN CCc1nnc(-c2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2)o1 ZINC000158345110 835327622 /nfs/dbraw/zinc/32/76/22/835327622.db2.gz PQBPFYXJAFHLRG-UHFFFAOYSA-N 0 0 394.479 3.519 10 0 GHAERN COC(=O)C[C@@H](C)[S@@](=O)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000158381553 835339905 /nfs/dbraw/zinc/33/99/05/835339905.db2.gz MFHBGPQTZJAZRO-REFGNXHDSA-N 0 0 375.368 3.561 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 ZINC000158459061 835381794 /nfs/dbraw/zinc/38/17/94/835381794.db2.gz IAYFBODZGOMKDV-UHFFFAOYSA-N 0 0 386.471 3.977 10 0 GHAERN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC[C@H](Cn2cncn2)C1 ZINC000329679350 835667202 /nfs/dbraw/zinc/66/72/02/835667202.db2.gz QUGYKIZADOFXQV-NSHDSACASA-N 0 0 378.263 3.619 10 0 GHAERN O=C(c1cc2c(ccc(Cl)c2Cl)[nH]1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329679348 835667308 /nfs/dbraw/zinc/66/73/08/835667308.db2.gz QUGYKIZADOFXQV-LLVKDONJSA-N 0 0 378.263 3.619 10 0 GHAERN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cccc3ncccc32)CC1 ZINC000101839715 835670695 /nfs/dbraw/zinc/67/06/95/835670695.db2.gz BQNVARIQCXZQMY-UHFFFAOYSA-N 0 0 377.419 3.865 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cccc(Cl)c2Br)c1 ZINC000588589299 835752269 /nfs/dbraw/zinc/75/22/69/835752269.db2.gz GVPXYZVXVFPDGZ-WAYWQWQTSA-N 0 0 394.656 3.509 10 0 GHAERN C[C@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCCC2 ZINC000151985112 835969289 /nfs/dbraw/zinc/96/92/89/835969289.db2.gz SCQGKXAMZAIAHT-UWJYYQICSA-N 0 0 393.535 3.727 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333175553 844131556 /nfs/dbraw/zinc/13/15/56/844131556.db2.gz OOJWMBRCMJLUCR-QMHKHESXSA-N 0 0 397.494 3.657 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333175549 844131735 /nfs/dbraw/zinc/13/17/35/844131735.db2.gz OOJWMBRCMJLUCR-HJPURHCSSA-N 0 0 397.494 3.657 10 0 GHAERN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000332765105 836576630 /nfs/dbraw/zinc/57/66/30/836576630.db2.gz KZAHMDAGPNJXCY-PQTWGXLHSA-N 0 0 397.519 3.578 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)c1ccncc1 ZINC000102548031 837182316 /nfs/dbraw/zinc/18/23/16/837182316.db2.gz ADONCYBYUJVBAV-YOEHRIQHSA-N 0 0 395.438 3.921 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc2)n1 ZINC000102836628 837224502 /nfs/dbraw/zinc/22/45/02/837224502.db2.gz CAHWAIGDNLSKKM-UHFFFAOYSA-N 0 0 375.215 3.699 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)c2)n[nH]1 ZINC000103292707 837296811 /nfs/dbraw/zinc/29/68/11/837296811.db2.gz VTOWYGSZGKOBFL-KRWDZBQOSA-N 0 0 391.431 3.878 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3ccccc3Br)cc2)n1 ZINC000103774986 837343969 /nfs/dbraw/zinc/34/39/69/837343969.db2.gz IHVSTMPARZYKPV-UHFFFAOYSA-N 0 0 398.260 3.689 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177512527 838008270 /nfs/dbraw/zinc/00/82/70/838008270.db2.gz CDWSYZJLHKEQBZ-ZDUSSCGKSA-N 0 0 396.472 3.506 10 0 GHAERN CC(=O)c1cccc(COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000178792033 838239325 /nfs/dbraw/zinc/23/93/25/838239325.db2.gz XDCUZYQLUISSFE-UHFFFAOYSA-N 0 0 383.419 3.624 10 0 GHAERN O=C(COc1ccccc1Br)N1CCC[C@H](c2nccs2)C1 ZINC000179674368 838412511 /nfs/dbraw/zinc/41/25/11/838412511.db2.gz RBJVJLKTOYLIRY-LBPRGKRZSA-N 0 0 381.295 3.691 10 0 GHAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408063467 838554130 /nfs/dbraw/zinc/55/41/30/838554130.db2.gz IWJSTIBUBZTXLY-WQVCFCJDSA-N 0 0 397.302 3.867 10 0 GHAERN CC(C)c1nc(C2CCN(C(=O)[C@@H]3SCCc4sccc43)CC2)no1 ZINC000408080223 839242656 /nfs/dbraw/zinc/24/26/56/839242656.db2.gz MFMLBUGVCGKBPK-OAHLLOKOSA-N 0 0 377.535 3.991 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCCc3ccc(C(C)(C)C)cc3)C2)n1 ZINC000117029774 839542210 /nfs/dbraw/zinc/54/22/10/839542210.db2.gz NJBHGGHLRZARLW-FQEVSTJZSA-N 0 0 397.567 3.857 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000056781801 839619109 /nfs/dbraw/zinc/61/91/09/839619109.db2.gz IECWIRHOWHXNBX-IBGZPJMESA-N 0 0 383.517 3.683 10 0 GHAERN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119117541 840044443 /nfs/dbraw/zinc/04/44/43/840044443.db2.gz NRMQLBUQBFMGSB-VGOFRKELSA-N 0 0 399.466 3.850 10 0 GHAERN O=C(Nc1cccc(OCc2cscn2)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000119411305 840199881 /nfs/dbraw/zinc/19/98/81/840199881.db2.gz BXSIQYJRWVUVJM-FOIQADDNSA-N 0 0 387.505 3.881 10 0 GHAERN O=C(Nc1cccc(OCc2cscn2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119411645 840199901 /nfs/dbraw/zinc/19/99/01/840199901.db2.gz BXSIQYJRWVUVJM-YWZLYKJASA-N 0 0 387.505 3.881 10 0 GHAERN O=C1Nc2ccccc2[C@@H]1Cc1nc(-c2cccc(OCc3cccnc3)c2)no1 ZINC000109583470 840452853 /nfs/dbraw/zinc/45/28/53/840452853.db2.gz CJAQDESJBNTWDD-IBGZPJMESA-N 0 0 398.422 3.989 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000056440165 840600129 /nfs/dbraw/zinc/60/01/29/840600129.db2.gz DVTGYAMYMATOIQ-UHFFFAOYSA-N 0 0 382.407 3.802 10 0 GHAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222896 840805427 /nfs/dbraw/zinc/80/54/27/840805427.db2.gz KFHOWTNDXBGCJD-SFHVURJKSA-N 0 0 396.491 3.509 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000332816941 844576777 /nfs/dbraw/zinc/57/67/77/844576777.db2.gz KCBRNUNZUICUKB-AADNMHCOSA-N 0 0 387.307 3.626 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)NCCNc1cccc(Br)c1 ZINC000588401785 840844124 /nfs/dbraw/zinc/84/41/24/840844124.db2.gz QSCSLSXSVRXXCX-PLNGDYQASA-N 0 0 380.673 3.739 10 0 GHAERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(Cc1ccccc1)c1ccncc1 ZINC000588402493 840876410 /nfs/dbraw/zinc/87/64/10/840876410.db2.gz MASPLSQUBJILLP-JFLJCTNNSA-N 0 0 395.528 3.873 10 0 GHAERN CC(C)Cn1ncnc1COC(=O)/C=C\c1cc(Br)ccc1F ZINC000588404202 840945791 /nfs/dbraw/zinc/94/57/91/840945791.db2.gz QWNHJEFTHFSNNV-UTCJRWHESA-N 0 0 382.233 3.592 10 0 GHAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408128033 841070475 /nfs/dbraw/zinc/07/04/75/841070475.db2.gz HHWUOQDDTYCPSZ-USXIJHARSA-N 0 0 399.304 3.813 10 0 GHAERN CCOc1cc(/C=C\C(=O)N[C@H](C)c2ccccc2-n2cccn2)ccc1O ZINC000588412694 841422339 /nfs/dbraw/zinc/42/23/39/841422339.db2.gz JJPFXHOFIAZVSN-UILAEWCASA-N 0 0 377.444 3.867 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408175391 841743106 /nfs/dbraw/zinc/74/31/06/841743106.db2.gz YXSKJBUHRNWXHL-KSZLIROESA-N 0 0 395.341 3.983 10 0 GHAERN Cc1ccc(C(C)C)cc1OCC(=O)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000105931407 841820415 /nfs/dbraw/zinc/82/04/15/841820415.db2.gz SPWDOJXMWDPDPC-MRXNPFEDSA-N 0 0 387.505 3.583 10 0 GHAERN Cc1ccc(-n2ncc(C(=O)NC[C@@H]3COc4ccccc4O3)c2C(C)C)cc1 ZINC000105971749 841847996 /nfs/dbraw/zinc/84/79/96/841847996.db2.gz YFLIWOFZRQIEGG-GOSISDBHSA-N 0 0 391.471 3.874 10 0 GHAERN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000121048561 841898790 /nfs/dbraw/zinc/89/87/90/841898790.db2.gz ZHSBXMRDTWMUAK-XXBNENTESA-N 0 0 396.535 3.832 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000408185121 842004607 /nfs/dbraw/zinc/00/46/07/842004607.db2.gz BJFQJVZPKXJNAW-FIXISWKDSA-N 0 0 383.300 3.960 10 0 GHAERN CC1(C)CCCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 ZINC000408300770 842161807 /nfs/dbraw/zinc/16/18/07/842161807.db2.gz JIVFFWGCJVUVBN-UHFFFAOYSA-N 0 0 398.594 3.504 10 0 GHAERN C[C@H]1C[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC(=O)N1 ZINC000408196691 842432749 /nfs/dbraw/zinc/43/27/49/842432749.db2.gz CCFYZBVCEZNFCX-AAEUAGOBSA-N 0 0 391.924 3.570 10 0 GHAERN Cc1nc(-c2ccccc2)ccc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433923 842435156 /nfs/dbraw/zinc/43/51/56/842435156.db2.gz LYOKCPWOBFEGFG-HJWRWDBZSA-N 0 0 381.476 3.868 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000111784285 842553398 /nfs/dbraw/zinc/55/33/98/842553398.db2.gz WVLOSUMLZIVINB-QGZVFWFLSA-N 0 0 395.434 3.718 10 0 GHAERN O=C(/C=C/c1ccncn1)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000588437016 842590120 /nfs/dbraw/zinc/59/01/20/842590120.db2.gz LSGKFBQRVUBZBL-XTXLJPNXSA-N 0 0 387.418 3.536 10 0 GHAERN O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408352393 842750011 /nfs/dbraw/zinc/75/00/11/842750011.db2.gz PWSHQAYUSIBUPX-QMTHXVAHSA-N 0 0 380.279 3.688 10 0 GHAERN O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000408352394 842750094 /nfs/dbraw/zinc/75/00/94/842750094.db2.gz PWSHQAYUSIBUPX-YGRLFVJLSA-N 0 0 380.279 3.688 10 0 GHAERN COc1cccc([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000247508762 842771794 /nfs/dbraw/zinc/77/17/94/842771794.db2.gz MZKIWYSMNYCQSB-QRFRQXIXSA-N 0 0 376.522 3.596 10 0 GHAERN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N1CC[C@H]2CCC[C@@H]21 ZINC000330257040 842907596 /nfs/dbraw/zinc/90/75/96/842907596.db2.gz QLJSGPQZHLAAPA-YPMHNXCESA-N 0 0 389.546 3.520 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)c2ccccc2O1 ZINC000247640296 843007750 /nfs/dbraw/zinc/00/77/50/843007750.db2.gz VOVPVGMRNBBAOK-LMMKCTJWSA-N 0 0 384.520 3.834 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000163553319 843011566 /nfs/dbraw/zinc/01/15/66/843011566.db2.gz LUBFFRQKPWLTGP-OWCLPIDISA-N 0 0 393.553 3.933 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccccc1OCC(F)F ZINC000161610813 843109648 /nfs/dbraw/zinc/10/96/48/843109648.db2.gz DIVYORSSBYVYLF-HNNXBMFYSA-N 0 0 378.400 3.772 10 0 GHAERN Cc1sc2nc(CN3CCC(Nc4ccccc4F)CC3)[nH]c(=O)c2c1C ZINC000162027380 843198536 /nfs/dbraw/zinc/19/85/36/843198536.db2.gz KFKKUTFHORJAOO-UHFFFAOYSA-N 0 0 386.496 3.817 10 0 GHAERN O=C(NCc1nc(-c2ccccc2)cs1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000162177407 843211596 /nfs/dbraw/zinc/21/15/96/843211596.db2.gz HHKVSIAIBDJEBY-IBGZPJMESA-N 0 0 395.484 3.799 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC1 ZINC000162540954 843271056 /nfs/dbraw/zinc/27/10/56/843271056.db2.gz JTZBYZUEFHRBGI-UHFFFAOYSA-N 0 0 388.418 3.598 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618737 843277339 /nfs/dbraw/zinc/27/73/39/843277339.db2.gz ZFOHCYWBSJCRAK-BTYIYWSLSA-N 0 0 375.476 3.680 10 0 GHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 ZINC000408226819 843342235 /nfs/dbraw/zinc/34/22/35/843342235.db2.gz SRMYYHIGCPETGC-CQSZACIVSA-N 0 0 397.500 3.981 10 0 GHAERN COc1ccccc1[C@@H](C)CC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306811 843351694 /nfs/dbraw/zinc/35/16/94/843351694.db2.gz KNQWLDKMOHNTRF-INIZCTEOSA-N 0 0 386.517 3.625 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000112307320 843352266 /nfs/dbraw/zinc/35/22/66/843352266.db2.gz WCWMVGQXCYGKII-HOTGVXAUSA-N 0 0 388.920 3.880 10 0 GHAERN C[C@H](CC1CC1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000112752536 843435015 /nfs/dbraw/zinc/43/50/15/843435015.db2.gz MSXDDJUDOWBJAK-GFCCVEGCSA-N 0 0 379.888 3.594 10 0 GHAERN O=C(c1cc(Br)ccc1Br)N1CCC[C@]12CCOC2 ZINC000311635851 843440560 /nfs/dbraw/zinc/44/05/60/843440560.db2.gz AWNUJANCFWUBAD-CQSZACIVSA-N 0 0 389.087 3.607 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)C[C@H](C)O1 ZINC000408257145 843619920 /nfs/dbraw/zinc/61/99/20/843619920.db2.gz QRFQDVONKQXOPF-KYZVSKTDSA-N 0 0 384.879 3.766 10 0 GHAERN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332966162 845065657 /nfs/dbraw/zinc/06/56/57/845065657.db2.gz UHXYBSLZTIFAPW-VWMOJTHMSA-N 0 0 382.426 3.898 10 0 GHAERN Nn1c(SCc2ncc(-c3ccccc3Cl)o2)nnc1-c1ccccn1 ZINC000151069096 845127828 /nfs/dbraw/zinc/12/78/28/845127828.db2.gz XDXHPLBWWWNOJQ-UHFFFAOYSA-N 0 0 384.852 3.655 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)nc1Br ZINC000151457767 845196383 /nfs/dbraw/zinc/19/63/83/845196383.db2.gz YRQOYQKVTPQEES-CQSZACIVSA-N 0 0 392.301 3.872 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](c2cccc(Cl)c2)C(C)C)C1 ZINC000248970333 845483157 /nfs/dbraw/zinc/48/31/57/845483157.db2.gz PCAFRJWASFOIIV-IKGGRYGDSA-N 0 0 377.872 3.760 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCc3nc(-c4ccc(C)c(F)c4)no3)CCO2)o1 ZINC000151747396 845638171 /nfs/dbraw/zinc/63/81/71/845638171.db2.gz IDRXTAIUAPXKFO-GOSISDBHSA-N 0 0 399.422 3.618 10 0 GHAERN Cc1sc2nc(CCC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)[nH]c(=O)c2c1C ZINC000333513953 845661413 /nfs/dbraw/zinc/66/14/13/845661413.db2.gz MNMINKBGFMEZLN-RPNZERQGSA-N 0 0 385.533 3.841 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3SCc3nc(C)no3)CCO2)o1 ZINC000151828628 845831092 /nfs/dbraw/zinc/83/10/92/845831092.db2.gz KYIKITJSPAQISA-KRWDZBQOSA-N 0 0 399.472 3.785 10 0 GHAERN C[C@@H](NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000266760412 861621353 /nfs/dbraw/zinc/62/13/53/861621353.db2.gz IDVPJHTWLAYFOR-GQZRKWLBSA-N 0 0 394.512 3.510 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(OC2CCOCC2)cc1 ZINC000329542051 861625006 /nfs/dbraw/zinc/62/50/06/861625006.db2.gz DRXOQUZCKCJHHB-FQEVSTJZSA-N 0 0 383.492 3.572 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC2(C)C)n1C[C@H]1CCCO1 ZINC000329540969 861625522 /nfs/dbraw/zinc/62/55/22/861625522.db2.gz DEURLIXIKFHYIH-IKGGRYGDSA-N 0 0 376.545 3.755 10 0 GHAERN C[C@H]1CC(c2noc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)n2)C[C@H](C)C1 ZINC000329547653 861630981 /nfs/dbraw/zinc/63/09/81/861630981.db2.gz AZPQQRIJSFWHIJ-SOHPYSCWSA-N 0 0 394.475 3.707 10 0 GHAERN O=C(Nc1cc(F)ccc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119611625 846083072 /nfs/dbraw/zinc/08/30/72/846083072.db2.gz QGTCFHFGYZVTTN-CYBMUJFWSA-N 0 0 380.217 3.668 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000152032257 846162634 /nfs/dbraw/zinc/16/26/34/846162634.db2.gz UTEFFGUZHBEMQZ-UHFFFAOYSA-N 0 0 395.547 3.751 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCO[C@H]4CCCC[C@@H]43)s2)cs1 ZINC000119749976 846168880 /nfs/dbraw/zinc/16/88/80/846168880.db2.gz HKYSLDOXUAQRNT-KBPBESRZSA-N 0 0 384.548 3.512 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc1 ZINC000152161155 846319685 /nfs/dbraw/zinc/31/96/85/846319685.db2.gz INULXYXPYVGRSG-UHFFFAOYSA-N 0 0 377.448 3.836 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c2ccccc21 ZINC000329610775 861772260 /nfs/dbraw/zinc/77/22/60/861772260.db2.gz JKUIOIIWSCSLKZ-RXVVDRJESA-N 0 0 394.519 3.631 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCC(c3ccsc3)CC2)cc1 ZINC000588521069 847317184 /nfs/dbraw/zinc/31/71/84/847317184.db2.gz RUSIZFCRXODMKK-DAXSKMNVSA-N 0 0 390.530 3.539 10 0 GHAERN C[C@@H]1CCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)[C@H]1C ZINC000329628065 861818969 /nfs/dbraw/zinc/81/89/69/861818969.db2.gz UNNQKZKPKZBCON-WKULXVSPSA-N 0 0 376.545 3.610 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)N3CCCCC3)CCO2)o1 ZINC000153080902 848096318 /nfs/dbraw/zinc/09/63/18/848096318.db2.gz ZXEDDOKPOKGZIW-FQEVSTJZSA-N 0 0 397.475 3.820 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N1CCC([C@@H]3CCCO3)CC1)O[C@H](C)C2 ZINC000588552144 848485962 /nfs/dbraw/zinc/48/59/62/848485962.db2.gz PHYJNXFTEYXKDP-JDSYDOCNSA-N 0 0 385.504 3.840 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccccc3N3C[C@@H](C)O[C@@H](C)C3)CCO2)o1 ZINC000153569660 848679350 /nfs/dbraw/zinc/67/93/50/848679350.db2.gz NSVVTWFFLAJNRX-LLGFUMIMSA-N 0 0 399.491 3.807 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1Cl ZINC000153648810 848837113 /nfs/dbraw/zinc/83/71/13/848837113.db2.gz OZPYHOWTNAPZEN-SFHVURJKSA-N 0 0 394.855 3.872 10 0 GHAERN CC(C)C[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000154028707 849172424 /nfs/dbraw/zinc/17/24/24/849172424.db2.gz ZQIWRZQPEVCRQC-LSDHHAIUSA-N 0 0 384.517 3.758 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(N4CCSCC4)cc3)CCO2)o1 ZINC000154227362 849222959 /nfs/dbraw/zinc/22/29/59/849222959.db2.gz MADWYXATKKESBJ-LJQANCHMSA-N 0 0 387.505 3.747 10 0 GHAERN O=C(Nc1cc(F)ccc1SCC(F)F)N1CCC(n2cncn2)CC1 ZINC000154432958 849300751 /nfs/dbraw/zinc/30/07/51/849300751.db2.gz OKFOTSZVGCEZEV-UHFFFAOYSA-N 0 0 385.415 3.643 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cnc(C(F)(F)F)nc3)CC2)cc1C ZINC000155086207 849450953 /nfs/dbraw/zinc/45/09/53/849450953.db2.gz MIHLRPRXFXTWJI-UHFFFAOYSA-N 0 0 379.382 3.796 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155634570 849587708 /nfs/dbraw/zinc/58/77/08/849587708.db2.gz OWFWCSUWLZGYRZ-KRWDZBQOSA-N 0 0 387.553 3.614 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC1CCN(c2cccs2)CC1 ZINC000155812589 849657689 /nfs/dbraw/zinc/65/76/89/849657689.db2.gz KJOOXFASRBZQHT-JKSUJKDBSA-N 0 0 393.553 3.527 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000187797813 851259624 /nfs/dbraw/zinc/25/96/24/851259624.db2.gz BWWUKCQSMIJGNO-YJBOKZPZSA-N 0 0 381.314 3.594 10 0 GHAERN O=C(CSCc1coc(-c2ccc(F)cc2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000101584988 851693571 /nfs/dbraw/zinc/69/35/71/851693571.db2.gz HWAROGSLGYUMIK-MSOLQXFVSA-N 0 0 390.480 3.884 10 0 GHAERN CCCOc1ccccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101739805 851859198 /nfs/dbraw/zinc/85/91/98/851859198.db2.gz AWXHRYDKLJVVJB-INIZCTEOSA-N 0 0 375.513 3.880 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)cc1C ZINC000101745421 851865734 /nfs/dbraw/zinc/86/57/34/851865734.db2.gz FTGGMXLRZSMEGV-UHFFFAOYSA-N 0 0 383.492 3.986 10 0 GHAERN CSc1cccc(N(C)C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1 ZINC000101870876 851965863 /nfs/dbraw/zinc/96/58/63/851965863.db2.gz WTGXTYRGPDYZCB-OAHLLOKOSA-N 0 0 376.428 3.703 10 0 GHAERN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000045313086 852171058 /nfs/dbraw/zinc/17/10/58/852171058.db2.gz CBXZDICYFMNJLW-UYAOXDASSA-N 0 0 381.524 3.620 10 0 GHAERN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329832821 862357311 /nfs/dbraw/zinc/35/73/11/862357311.db2.gz LBDFFOQFZTVLJB-JYYAWHABSA-N 0 0 381.501 3.923 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1CC[C@H](O)CC12CCC2 ZINC000333890906 852692001 /nfs/dbraw/zinc/69/20/01/852692001.db2.gz XBTYVEXAQYJPJE-HOCLYGCPSA-N 0 0 379.298 3.525 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000247980209 853267946 /nfs/dbraw/zinc/26/79/46/853267946.db2.gz IFWIFNKLASSBMO-KHYOSLBOSA-N 0 0 395.341 3.712 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1ccccc1F ZINC000333956425 853269036 /nfs/dbraw/zinc/26/90/36/853269036.db2.gz GYUQCHFBNDNCAS-WSQUPBJJSA-N 0 0 382.483 3.726 10 0 GHAERN Cn1cc(C2CCN(C(=O)COc3ccc4oc5c(c4c3)CCCC5)CC2)cn1 ZINC000123296059 854322101 /nfs/dbraw/zinc/32/21/01/854322101.db2.gz MRKISXZQNLNZKJ-UHFFFAOYSA-N 0 0 393.487 3.830 10 0 GHAERN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328685020 854508350 /nfs/dbraw/zinc/50/83/50/854508350.db2.gz FJPUREUSMDOWTE-CZUORRHYSA-N 0 0 390.896 3.853 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000328686068 854508419 /nfs/dbraw/zinc/50/84/19/854508419.db2.gz GAYXABZQHCAKCF-VCBZYWHSSA-N 0 0 394.500 3.719 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3cc4ccccc4o3)CC2)no1 ZINC000068119744 854552387 /nfs/dbraw/zinc/55/23/87/854552387.db2.gz DKMXTOUFAJRNBB-VOTSOKGWSA-N 0 0 379.416 3.620 10 0 GHAERN O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000328861358 854582958 /nfs/dbraw/zinc/58/29/58/854582958.db2.gz FGLWIVMRXKWGJG-ZLQXRBMWSA-N 0 0 381.497 3.652 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc2)c1 ZINC000328935035 854607747 /nfs/dbraw/zinc/60/77/47/854607747.db2.gz FLTPAZPJKWIBOM-NHCUHLMSSA-N 0 0 381.476 3.724 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(c2ccnc(N[C@H]3CCCO[C@@H]3C(C)C)n2)C1 ZINC000330126023 862596151 /nfs/dbraw/zinc/59/61/51/862596151.db2.gz IPAWIQBCHWPIQZ-LVCYWYKZSA-N 0 0 398.555 3.693 10 0 GHAERN O=C(Nc1cnn(-c2ccccc2Br)c1)N1C[C@@H]2CCC[C@H]2C1 ZINC000165021059 862608536 /nfs/dbraw/zinc/60/85/36/862608536.db2.gz KJAORHDFBMHCOK-STQMWFEESA-N 0 0 375.270 3.899 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000190086490 855416257 /nfs/dbraw/zinc/41/62/57/855416257.db2.gz NVQUGQWCEVMWDO-LPHOPBHVSA-N 0 0 387.443 3.955 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000190144716 855419802 /nfs/dbraw/zinc/41/98/02/855419802.db2.gz WXCINKAVBXXTAN-GDBMZVCRSA-N 0 0 396.274 3.923 10 0 GHAERN CC(C)[C@@H](C(=O)N[C@@H]1CCCc2c(O)cccc21)S(=O)(=O)C1CCCCC1 ZINC000190269239 855433523 /nfs/dbraw/zinc/43/35/23/855433523.db2.gz RHSRQGYBOZXMJB-QUCCMNQESA-N 0 0 393.549 3.658 10 0 GHAERN Cc1cc(I)ccc1NC(=O)N(C)[C@H](C)c1cnn(C)c1 ZINC000182013695 855611854 /nfs/dbraw/zinc/61/18/54/855611854.db2.gz NBAHUPNQVPIWGM-LLVKDONJSA-N 0 0 398.248 3.558 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2F)C[C@H]1C ZINC000191458673 855648319 /nfs/dbraw/zinc/64/83/19/855648319.db2.gz SMXXCJPDXRAONH-CHWSQXEVSA-N 0 0 384.879 3.597 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248055852 855737514 /nfs/dbraw/zinc/73/75/14/855737514.db2.gz XIHCKBZJABPLIR-SWLSCSKDSA-N 0 0 397.846 3.675 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000183815360 855878364 /nfs/dbraw/zinc/87/83/64/855878364.db2.gz ZIDJOXNQNNKQPD-SMDDNHRTSA-N 0 0 398.433 3.783 10 0 GHAERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1OCC ZINC000029247365 856031102 /nfs/dbraw/zinc/03/11/02/856031102.db2.gz HLNZXUXEAXAYGP-QGZVFWFLSA-N 0 0 398.507 3.779 10 0 GHAERN O=C(CCc1nc2ccccc2n1-c1ccccc1)NC[C@@H](O)Cc1ccccc1 ZINC000104910107 856446119 /nfs/dbraw/zinc/44/61/19/856446119.db2.gz ATGFECYRFSMSPA-NRFANRHFSA-N 0 0 399.494 3.678 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000105029671 856462666 /nfs/dbraw/zinc/46/26/66/856462666.db2.gz JZROREGJEXJLCN-KRWDZBQOSA-N 0 0 394.500 3.661 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1cccnc1OC1CCCC1 ZINC000105117402 856487536 /nfs/dbraw/zinc/48/75/36/856487536.db2.gz BIAKGNLFKCZMCA-UHFFFAOYSA-N 0 0 382.508 3.962 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)CCOc3cc(C)cc(C)c3)C2)c1 ZINC000102383425 856681904 /nfs/dbraw/zinc/68/19/04/856681904.db2.gz DWIUOBRPCFAXRW-LJQANCHMSA-N 0 0 382.504 3.724 10 0 GHAERN O=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000136782258 857243735 /nfs/dbraw/zinc/24/37/35/857243735.db2.gz NLSRSBBNOGFVEC-VGSWGCGISA-N 0 0 399.466 3.850 10 0 GHAERN CCCn1c(=O)[nH]nc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000003534903 857790535 /nfs/dbraw/zinc/79/05/35/857790535.db2.gz DVOQTFGEQLRITG-QGZVFWFLSA-N 0 0 382.489 3.762 10 0 GHAERN C[C@@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4c(n3C)CCCC4)ncn2)C1 ZINC000330346327 863030330 /nfs/dbraw/zinc/03/03/30/863030330.db2.gz GJROYXAJOOGXFL-APWZRJJASA-N 0 0 380.540 3.667 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1(c3cccc(Cl)c3)CCCC1)CC2 ZINC000134104684 858831177 /nfs/dbraw/zinc/83/11/77/858831177.db2.gz GNGPVKIMAVQCLX-KRWDZBQOSA-N 0 0 386.927 3.998 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCCN1C1CCCC1 ZINC000193576471 859174494 /nfs/dbraw/zinc/17/44/94/859174494.db2.gz YOCOQEQJYWQUEC-VQTJNVASSA-N 0 0 384.520 3.583 10 0 GHAERN Cc1ccc2c(c1C)OC[C@H]2NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272322592 859612387 /nfs/dbraw/zinc/61/23/87/859612387.db2.gz ISWOOUMZAWVNQB-MSOLQXFVSA-N 0 0 395.507 3.602 10 0 GHAERN CCn1c2ccccc2nc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000010651790 860039166 /nfs/dbraw/zinc/03/91/66/860039166.db2.gz DFJQJRSEGDLMQD-UHFFFAOYSA-N 0 0 382.489 3.609 10 0 GHAERN CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nc2ccccc2c1=O ZINC000021844964 860245439 /nfs/dbraw/zinc/24/54/39/860245439.db2.gz JOXHJNPPHNCELY-INIZCTEOSA-N 0 0 399.541 3.934 10 0 GHAERN CN(C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152880182 860281511 /nfs/dbraw/zinc/28/15/11/860281511.db2.gz VRXWJCAKBVDISS-TZIWHRDSSA-N 0 0 397.498 3.767 10 0 GHAERN CN(C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000152880288 860281691 /nfs/dbraw/zinc/28/16/91/860281691.db2.gz VRXWJCAKBVDISS-PZJWPPBQSA-N 0 0 397.498 3.767 10 0 GHAERN C[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(N3CCOCC3)nc2)C1 ZINC000172132199 860432514 /nfs/dbraw/zinc/43/25/14/860432514.db2.gz AEDGDKQRUMATPX-JOCHJYFZSA-N 0 0 380.492 3.504 10 0 GHAERN Cn1cc(CN2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CC2)cn1 ZINC000172139625 860432519 /nfs/dbraw/zinc/43/25/19/860432519.db2.gz QRBYPIVYOCGIBE-QFIPXVFZSA-N 0 0 395.551 3.569 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000173075409 860436727 /nfs/dbraw/zinc/43/67/27/860436727.db2.gz RIUMOGALFMDTLU-RDJZCZTQSA-N 0 0 377.554 3.633 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N(C)CCOc3ccccc3C)C2)c1 ZINC000102464161 860694487 /nfs/dbraw/zinc/69/44/87/860694487.db2.gz PJCFFHIVZIALGO-IBGZPJMESA-N 0 0 397.519 3.550 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000102613889 860784320 /nfs/dbraw/zinc/78/43/20/860784320.db2.gz PYEITJMYKXFFIW-UHFFFAOYSA-N 0 0 379.932 3.862 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000102695625 860819521 /nfs/dbraw/zinc/81/95/21/860819521.db2.gz KGJKLLLTYNMVJH-CYBMUJFWSA-N 0 0 392.883 3.964 10 0 GHAERN C[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1Br ZINC000102683967 860837952 /nfs/dbraw/zinc/83/79/52/860837952.db2.gz MOCNVDSOKUWEJV-SUMWQHHRSA-N 0 0 389.293 3.740 10 0 GHAERN Cn1cc(Br)cc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000102839846 860877788 /nfs/dbraw/zinc/87/77/88/860877788.db2.gz AHXHWJLIEFBXQH-UHFFFAOYSA-N 0 0 386.253 3.702 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329071580 860993974 /nfs/dbraw/zinc/99/39/74/860993974.db2.gz ZAHFWAXZBWOEQI-HMXCVIKNSA-N 0 0 389.540 3.739 10 0 GHAERN O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@H]1Cn1ccnn1 ZINC000329162450 861090444 /nfs/dbraw/zinc/09/04/44/861090444.db2.gz FUNKEGSBAJTPTL-HNNXBMFYSA-N 0 0 381.867 3.662 10 0 GHAERN COc1ccc(Br)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000164751489 861172316 /nfs/dbraw/zinc/17/23/16/861172316.db2.gz WZWUIXAEQFSZDA-YVEFUNNKSA-N 0 0 383.286 3.617 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccccn4)n3)c21 ZINC000103129319 863926197 /nfs/dbraw/zinc/92/61/97/863926197.db2.gz KXPPRWNOLFYFAX-UHFFFAOYSA-N 0 0 376.485 3.896 10 0 GHAERN COc1ccc(C2(NC(=O)NCCCc3nc(C(C)C)no3)CCCC2)cc1 ZINC000103312662 863953872 /nfs/dbraw/zinc/95/38/72/863953872.db2.gz DIWWHFZFYDBIRX-UHFFFAOYSA-N 0 0 386.496 3.903 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCC(C(=O)N[C@@H](C)C(C)C)CC3)c21 ZINC000103317564 863956322 /nfs/dbraw/zinc/95/63/22/863956322.db2.gz IYDPWMVTZHJJQH-KRWDZBQOSA-N 0 0 398.551 3.601 10 0 GHAERN COc1ccc(-n2cnnc2S[C@@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000103352891 863969941 /nfs/dbraw/zinc/96/99/41/863969941.db2.gz DLSPYBLHHNYVQI-LBPRGKRZSA-N 0 0 380.433 3.574 10 0 GHAERN Cc1cccc(-n2ccnc2S(=O)(=O)[C@H](C)c2nc(C(C)(C)C)no2)c1C ZINC000103622415 864022698 /nfs/dbraw/zinc/02/26/98/864022698.db2.gz PPNXFFJMIWPGBO-CQSZACIVSA-N 0 0 388.493 3.705 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCCc1ccc(Br)s1 ZINC000103850557 864062348 /nfs/dbraw/zinc/06/23/48/864062348.db2.gz IZYVSBDNNWSVMR-UHFFFAOYSA-N 0 0 397.338 3.946 10 0 GHAERN CC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1ccc(Cl)cc1 ZINC000103741664 864080040 /nfs/dbraw/zinc/08/00/40/864080040.db2.gz ZFAVJGOMTJVLEG-INIZCTEOSA-N 0 0 376.247 3.850 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000104459585 864325814 /nfs/dbraw/zinc/32/58/14/864325814.db2.gz AXFKDKOUFYWEEJ-UHFFFAOYSA-N 0 0 395.478 3.880 10 0 GHAERN COc1ccccc1CCN(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000104457456 864326079 /nfs/dbraw/zinc/32/60/79/864326079.db2.gz XWYRLBXXEMIJOS-IBGZPJMESA-N 0 0 395.503 3.640 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Cc3ccccc3C(F)(F)F)C2)c1 ZINC000104381436 864331515 /nfs/dbraw/zinc/33/15/15/864331515.db2.gz GXZZKHDPIMLKOO-HNNXBMFYSA-N 0 0 392.421 3.899 10 0 GHAERN O=C(NCc1ccc(Oc2ccccc2)nc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178652438 865171783 /nfs/dbraw/zinc/17/17/83/865171783.db2.gz IBPQSGZDTMTXER-GCJKJVERSA-N 0 0 381.476 3.711 10 0 GHAERN CC(C)Cn1cnnc1[C@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000301390455 865331218 /nfs/dbraw/zinc/33/12/18/865331218.db2.gz ZBGKFHUCEFZVAA-LJQANCHMSA-N 0 0 389.507 3.616 10 0 GHAERN Cc1ccc(CN(C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)C2CC2)cc1C ZINC000155362450 865739292 /nfs/dbraw/zinc/73/92/92/865739292.db2.gz FBIMHSWMJNCZDJ-GOSISDBHSA-N 0 0 381.524 3.707 10 0 GHAERN Cc1cc(Cl)cc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000150931878 866281367 /nfs/dbraw/zinc/28/13/67/866281367.db2.gz IEPWDZUEQJVOOJ-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN C[C@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1 ZINC000150926209 866283701 /nfs/dbraw/zinc/28/37/01/866283701.db2.gz TWFDFYLJAIBQHW-SFHVURJKSA-N 0 0 393.535 3.677 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)s1)Nc1ccccc1 ZINC000105370719 866292792 /nfs/dbraw/zinc/29/27/92/866292792.db2.gz UZTUUBPYQVTUIR-MRXNPFEDSA-N 0 0 384.505 3.702 10 0 GHAERN c1cnn(C[C@@H]2CN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CCO2)c1 ZINC000108949864 866576869 /nfs/dbraw/zinc/57/68/69/866576869.db2.gz ZJIXVSSYYHPYIC-HNNXBMFYSA-N 0 0 395.532 3.549 10 0 GHAERN O=c1c(Cl)c(N2CC[C@@]3(O)CCCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000151063843 866677781 /nfs/dbraw/zinc/67/77/81/866677781.db2.gz SHLAPRXKIMTDHJ-YJYMSZOUSA-N 0 0 394.302 3.671 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1c1cc3ccccc3[nH]1)CC2 ZINC000114978235 866776691 /nfs/dbraw/zinc/77/66/91/866776691.db2.gz MERMVVOPVFYMJN-VQIMIIECSA-N 0 0 392.507 3.573 10 0 GHAERN O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151216997 867058701 /nfs/dbraw/zinc/05/87/01/867058701.db2.gz NAJZDAUFQNRPSE-AOMKIAJQSA-N 0 0 399.512 3.954 10 0 GHAERN O=C(C=Cc1ccc(OCc2ccccn2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000170671326 882045921 /nfs/dbraw/zinc/04/59/21/882045921.db2.gz HKZUFBFTCXLPOF-BLRBJFNZSA-N 0 0 388.471 3.803 10 0 GHAERN Cc1ccc(C(=O)N[C@H](C(=O)N2CCC[C@H](c3nccs3)C2)C(C)C)cc1 ZINC000170890792 882067481 /nfs/dbraw/zinc/06/74/81/882067481.db2.gz VFGFQBXHLDUZEV-ROUUACIJSA-N 0 0 385.533 3.612 10 0 GHAERN NC(=O)c1ccc(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(F)c1 ZINC000151348779 867343908 /nfs/dbraw/zinc/34/39/08/867343908.db2.gz GATNIILDIYRDKP-QGZVFWFLSA-N 0 0 383.423 3.883 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(F)cc1 ZINC000171373163 882102166 /nfs/dbraw/zinc/10/21/66/882102166.db2.gz RLNHUKCZUHYQBY-MRXNPFEDSA-N 0 0 395.482 3.735 10 0 GHAERN O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180705319 867693396 /nfs/dbraw/zinc/69/33/96/867693396.db2.gz FIKOZCQQAOLGDL-SJORKVTESA-N 0 0 395.425 3.609 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@H](c3nccs3)C2)cc(OC)c1OC ZINC000171645812 882122098 /nfs/dbraw/zinc/12/20/98/882122098.db2.gz UNCMNUGOALGHDY-LFAOLKIESA-N 0 0 388.489 3.588 10 0 GHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000171557082 882141068 /nfs/dbraw/zinc/14/10/68/882141068.db2.gz KTCACCRHVVQACO-LLVKDONJSA-N 0 0 375.354 3.558 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)NCC[C@@H]1c3ccccc3NC1=O)CCC2 ZINC000171898445 882147191 /nfs/dbraw/zinc/14/71/91/882147191.db2.gz RAFCWZFAOAQWCE-RHSMWYFYSA-N 0 0 384.505 3.596 10 0 GHAERN CC(=O)c1ccc(OCCCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171611763 882145820 /nfs/dbraw/zinc/14/58/20/882145820.db2.gz HAVIVCJCADUVNL-UHFFFAOYSA-N 0 0 380.488 3.925 10 0 GHAERN Cn1cc([C@@H]2CCN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057218 882165857 /nfs/dbraw/zinc/16/58/57/882165857.db2.gz XFWRRAQBPSGOOH-LLVKDONJSA-N 0 0 386.805 3.520 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000172126643 882171968 /nfs/dbraw/zinc/17/19/68/882171968.db2.gz ORFZLLKXRBHQEU-IBGZPJMESA-N 0 0 397.450 3.505 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 ZINC000245826132 868868384 /nfs/dbraw/zinc/86/83/84/868868384.db2.gz YKIXZLOZDHTQBW-VMDGZTHMSA-N 0 0 380.492 3.609 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172482476 882287895 /nfs/dbraw/zinc/28/78/95/882287895.db2.gz AAVYZKTVLRYHPH-MOPGFXCFSA-N 0 0 392.484 3.716 10 0 GHAERN Cc1ccc(C[C@H](C)N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000172471456 882288094 /nfs/dbraw/zinc/28/80/94/882288094.db2.gz ZQMPPCRMGPPADS-KRWDZBQOSA-N 0 0 384.545 3.998 10 0 GHAERN CC(C)Oc1cccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172804108 882309125 /nfs/dbraw/zinc/30/91/25/882309125.db2.gz BTCJOLICBRNODG-QGZVFWFLSA-N 0 0 395.503 3.598 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000114570568 869469565 /nfs/dbraw/zinc/46/95/65/869469565.db2.gz GOGLXUGSRPFOLZ-QHSLDKKCSA-N 0 0 396.491 3.982 10 0 GHAERN Cc1cc(C)cc(C[C@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000172759498 882305680 /nfs/dbraw/zinc/30/56/80/882305680.db2.gz ZGGDFJZGVBAYCU-KRWDZBQOSA-N 0 0 384.545 3.965 10 0 GHAERN O=C(Nc1cc(F)c(F)c(F)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172749143 882306324 /nfs/dbraw/zinc/30/63/24/882306324.db2.gz AVFAIRDEJCOVAC-UHFFFAOYSA-N 0 0 380.341 3.734 10 0 GHAERN CCCOc1cc(C)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000172840316 882313286 /nfs/dbraw/zinc/31/32/86/882313286.db2.gz LQCACTCJRLDKQR-IBGZPJMESA-N 0 0 381.476 3.812 10 0 GHAERN C[C@H](CNC(=O)C1CCN(C(=O)c2cccs2)CC1)Sc1ccccc1 ZINC000172914062 882323698 /nfs/dbraw/zinc/32/36/98/882323698.db2.gz ASMHQHROUCUXDM-OAHLLOKOSA-N 0 0 388.558 3.897 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172986162 882328044 /nfs/dbraw/zinc/32/80/44/882328044.db2.gz QGADNNVXVRIAAY-ZWKOTPCHSA-N 0 0 396.874 3.985 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)C[C@@H](C)C(=O)c3cccc(F)c3)CC2)nc1 ZINC000173173413 882338201 /nfs/dbraw/zinc/33/82/01/882338201.db2.gz KBYNQGIQENZHSD-MRXNPFEDSA-N 0 0 383.467 3.523 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)n1 ZINC000173431577 882359872 /nfs/dbraw/zinc/35/98/72/882359872.db2.gz SLDNBHCVXGRICM-DLBZAZTESA-N 0 0 384.501 3.732 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173403524 882359891 /nfs/dbraw/zinc/35/98/91/882359891.db2.gz AXAJKLKXHXVDGR-CABCVRRESA-N 0 0 379.526 3.639 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000190064882 870318107 /nfs/dbraw/zinc/31/81/07/870318107.db2.gz WDCLZJHYGGESLC-XUJVJEKNSA-N 0 0 382.917 3.898 10 0 GHAERN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046494694 870434369 /nfs/dbraw/zinc/43/43/69/870434369.db2.gz HIEHIMREDUCSAO-NHCUHLMSSA-N 0 0 392.503 3.602 10 0 GHAERN Cn1ccc2ccc(NC(=O)N3CCCN(C(=O)c4cccs4)CC3)cc21 ZINC000173835688 882408606 /nfs/dbraw/zinc/40/86/06/882408606.db2.gz YVMSOMJVWOORBY-UHFFFAOYSA-N 0 0 382.489 3.620 10 0 GHAERN O=S(=O)(C[C@@H]1CCCCC1(F)F)N[C@H]1CCO[C@H](c2cccs2)C1 ZINC000428191999 870553993 /nfs/dbraw/zinc/55/39/93/870553993.db2.gz ZBIXWLZHZZMZDD-IHRRRGAJSA-N 0 0 379.494 3.713 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000057634426 870586016 /nfs/dbraw/zinc/58/60/16/870586016.db2.gz OAJUQNHRXVMWGG-IBGZPJMESA-N 0 0 379.460 3.571 10 0 GHAERN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174083904 882422849 /nfs/dbraw/zinc/42/28/49/882422849.db2.gz CCRGVZBZIGILJM-MRXNPFEDSA-N 0 0 389.515 3.513 10 0 GHAERN O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114821237 870706383 /nfs/dbraw/zinc/70/63/83/870706383.db2.gz BPRZNDARLZQEAW-QGZVFWFLSA-N 0 0 385.537 3.618 10 0 GHAERN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nn1C ZINC000174235592 882439154 /nfs/dbraw/zinc/43/91/54/882439154.db2.gz USYHPPLNWUPNEJ-QGZVFWFLSA-N 0 0 377.492 3.953 10 0 GHAERN O=C(NCc1ccc(-n2ccnc2)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114826018 870752556 /nfs/dbraw/zinc/75/25/56/870752556.db2.gz JOWSYYVIURTXDV-OAHLLOKOSA-N 0 0 385.468 3.557 10 0 GHAERN CN(C)c1nc(-c2ccccc2)c(CN2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831896 882441093 /nfs/dbraw/zinc/44/10/93/882441093.db2.gz HGIJWYMACXBWSD-OAHLLOKOSA-N 0 0 386.546 3.906 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174402906 882467553 /nfs/dbraw/zinc/46/75/53/882467553.db2.gz QXPCNBIHHQTTAQ-RBUKOAKNSA-N 0 0 383.496 3.671 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c21 ZINC000103129562 871353156 /nfs/dbraw/zinc/35/31/56/871353156.db2.gz QBGFLWJGNXOICB-UHFFFAOYSA-N 0 0 385.508 3.782 10 0 GHAERN CC(C)COc1ccc(CNC(=O)N2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000175380950 882548768 /nfs/dbraw/zinc/54/87/68/882548768.db2.gz RPSWPDPENCQNLK-NRFANRHFSA-N 0 0 390.524 3.591 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccc(NC(=O)C4CC4)c3)C2)c1 ZINC000175400568 882550158 /nfs/dbraw/zinc/55/01/58/882550158.db2.gz JDCKPSLIRZAOKJ-QGZVFWFLSA-N 0 0 394.471 3.682 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1 ZINC000175401018 882551872 /nfs/dbraw/zinc/55/18/72/882551872.db2.gz XZJNNLVLGTYDQF-CYBMUJFWSA-N 0 0 380.366 3.747 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000175189764 882556511 /nfs/dbraw/zinc/55/65/11/882556511.db2.gz FHTPGPLHGJVXEL-UHFFFAOYSA-N 0 0 384.455 3.684 10 0 GHAERN O=C(NCc1cccnc1-n1cccn1)N1CC[C@H](CSc2ccccc2)C1 ZINC000175454365 882583109 /nfs/dbraw/zinc/58/31/09/882583109.db2.gz ZFYSDIMOPPNAJL-KRWDZBQOSA-N 0 0 393.516 3.591 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)N[C@H]1CCCOc2ccccc21 ZINC000101990880 872460893 /nfs/dbraw/zinc/46/08/93/872460893.db2.gz WKNUJTJWMNXLDW-FQEVSTJZSA-N 0 0 393.487 3.917 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000175738309 882619376 /nfs/dbraw/zinc/61/93/76/882619376.db2.gz YQTVDBNRFCDRLM-AREMUKBSSA-N 0 0 375.469 3.672 10 0 GHAERN C[C@H](Cc1ccccc1)OC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 ZINC000102134155 872627718 /nfs/dbraw/zinc/62/77/18/872627718.db2.gz JXHGHKSFKCJWEN-SJORKVTESA-N 0 0 398.528 3.973 10 0 GHAERN Cc1nn(-c2ccccc2)cc1C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000102238336 872768595 /nfs/dbraw/zinc/76/85/95/872768595.db2.gz GANHOFAGBJNMQS-UHFFFAOYSA-N 0 0 388.471 3.628 10 0 GHAERN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000176349676 882682497 /nfs/dbraw/zinc/68/24/97/882682497.db2.gz BTIJXBXTLYXORV-FQEVSTJZSA-N 0 0 389.459 3.832 10 0 GHAERN O=C(CCCc1cc(Cl)sc1Cl)NCc1cccnc1-n1cncn1 ZINC000176448451 882695156 /nfs/dbraw/zinc/69/51/56/882695156.db2.gz ZQMOWMLTCJENEA-UHFFFAOYSA-N 0 0 396.303 3.670 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)C12CCOCC2 ZINC000248736465 882704715 /nfs/dbraw/zinc/70/47/15/882704715.db2.gz QUYUNWCWEMFNAD-XWPNQZOQSA-N 0 0 390.499 3.892 10 0 GHAERN CCS[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000176736367 882708509 /nfs/dbraw/zinc/70/85/09/882708509.db2.gz CWWGOGHAQCWGRY-RBUKOAKNSA-N 0 0 392.540 3.858 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116243860 873367032 /nfs/dbraw/zinc/36/70/32/873367032.db2.gz FMQPJXYDKYVIRF-PGRDOPGGSA-N 0 0 393.531 3.634 10 0 GHAERN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ncncc2Cl)c2ccccc21 ZINC000177007391 882725609 /nfs/dbraw/zinc/72/56/09/882725609.db2.gz UHCOCQQARICRCT-UHFFFAOYSA-N 0 0 388.855 3.922 10 0 GHAERN COc1cccc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)c1OC(F)F ZINC000176819319 882739391 /nfs/dbraw/zinc/73/93/91/882739391.db2.gz WDGVRKDNHQGLLY-KXPUMZMLSA-N 0 0 379.359 3.503 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000177175887 882769642 /nfs/dbraw/zinc/76/96/42/882769642.db2.gz FAYPSGVKEYVFLL-IAGOWNOFSA-N 0 0 382.479 3.986 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3c(Cl)nc4ccccn43)n2)c1 ZINC000102941701 873904396 /nfs/dbraw/zinc/90/43/96/873904396.db2.gz JXYLJZZVBMQXJA-UHFFFAOYSA-N 0 0 385.836 3.767 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CC2)CC1 ZINC000019311431 874189048 /nfs/dbraw/zinc/18/90/48/874189048.db2.gz JAAGGFQULMVCBK-UHFFFAOYSA-N 0 0 386.492 3.931 10 0 GHAERN O=C(Nc1ccccc1CC(F)(F)F)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177505869 882808940 /nfs/dbraw/zinc/80/89/40/882808940.db2.gz IRKGMJCMEMQZAH-CYBMUJFWSA-N 0 0 397.422 3.593 10 0 GHAERN CN(C)c1cccc([C@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000117824607 874221207 /nfs/dbraw/zinc/22/12/07/874221207.db2.gz RCKHNBSKDQPETQ-JOCHJYFZSA-N 0 0 391.515 3.852 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCc2ccccc2OC2CCC2)c2ccccc2)[nH]1 ZINC000118587032 874560310 /nfs/dbraw/zinc/56/03/10/874560310.db2.gz MIMBDPVJKJCVFA-FQEVSTJZSA-N 0 0 391.475 3.633 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000104837154 874775574 /nfs/dbraw/zinc/77/55/74/874775574.db2.gz SJDJINWPCPUDDH-UHFFFAOYSA-N 0 0 391.752 3.681 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NCc1cccnc1-n1cccn1)CCC2 ZINC000177845452 882866753 /nfs/dbraw/zinc/86/67/53/882866753.db2.gz ITKKQJKDVOLPJV-MRXNPFEDSA-N 0 0 396.520 3.505 10 0 GHAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000177851119 882867353 /nfs/dbraw/zinc/86/73/53/882867353.db2.gz IYKFUCQFJLTACP-UHFFFAOYSA-N 0 0 392.908 3.581 10 0 GHAERN CCOCCC1(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCCC1 ZINC000119046210 874855648 /nfs/dbraw/zinc/85/56/48/874855648.db2.gz KIHMKADACMKLIM-UHFFFAOYSA-N 0 0 388.556 3.645 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000020612056 875034450 /nfs/dbraw/zinc/03/44/50/875034450.db2.gz KDEUAXOEZQMPIQ-UHFFFAOYSA-N 0 0 399.878 3.789 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@@H]1CCCn3nc(C(C)C)nc31)CCC2 ZINC000153919709 875136870 /nfs/dbraw/zinc/13/68/70/875136870.db2.gz JYSMHZUJPOTVAV-CABCVRRESA-N 0 0 388.541 3.720 10 0 GHAERN CCCCC[C@@H](C)NC(=O)C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685396 875365535 /nfs/dbraw/zinc/36/55/35/875365535.db2.gz QKWQCCDFOZNVOF-PTFIGZPYSA-N 0 0 380.485 3.814 10 0 GHAERN O=C(Nc1ccc(F)cc1NC1CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000178695942 882930679 /nfs/dbraw/zinc/93/06/79/882930679.db2.gz NLECVXKAOSEWBB-UHFFFAOYSA-N 0 0 387.480 3.952 10 0 GHAERN COc1ccc(COCCCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000179044879 882948690 /nfs/dbraw/zinc/94/86/90/882948690.db2.gz MEZYRPRULMPSIA-UHFFFAOYSA-N 0 0 382.504 3.868 10 0 GHAERN Cc1nn(C)cc1NC(=O)C(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000179086296 882952225 /nfs/dbraw/zinc/95/22/25/882952225.db2.gz DVCBVPKVBWZEDS-IBGZPJMESA-N 0 0 396.516 3.758 10 0 GHAERN O=C(c1ncncc1Cl)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178837663 882958234 /nfs/dbraw/zinc/95/82/34/882958234.db2.gz RZGFZZOYDHUOIW-QMMMGPOBSA-N 0 0 376.791 3.625 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCOc2cccc(C)c2)c2ccccc2F)no1 ZINC000178890304 882961393 /nfs/dbraw/zinc/96/13/93/882961393.db2.gz BGQWEXMHBCZWQD-LJQANCHMSA-N 0 0 398.438 3.635 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000178896650 882962700 /nfs/dbraw/zinc/96/27/00/882962700.db2.gz KERUVVIIMDQSLB-UHFFFAOYSA-N 0 0 378.447 3.878 10 0 GHAERN Cc1cccc(Cl)c1NC(=O)CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179408872 882970551 /nfs/dbraw/zinc/97/05/51/882970551.db2.gz FTHHHXVHISXXJW-UHFFFAOYSA-N 0 0 391.943 3.702 10 0 GHAERN CCc1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000179312856 882989456 /nfs/dbraw/zinc/98/94/56/882989456.db2.gz CONHKAAXLPHJHI-UHFFFAOYSA-N 0 0 385.435 3.855 10 0 GHAERN O=C(NCCc1cc2ccccc2o1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000120772074 876258398 /nfs/dbraw/zinc/25/83/98/876258398.db2.gz BCLDZAWUBXANRP-UHFFFAOYSA-N 0 0 397.500 3.595 10 0 GHAERN CCC(CC)n1nc(C)cc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179597476 883013071 /nfs/dbraw/zinc/01/30/71/883013071.db2.gz REBPMQMRULULKH-UHFFFAOYSA-N 0 0 388.556 3.807 10 0 GHAERN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(n2cncn2)CC1 ZINC000179630914 883015798 /nfs/dbraw/zinc/01/57/98/883015798.db2.gz RJZLLFQECLACHS-GFCCVEGCSA-N 0 0 382.295 3.563 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)CCO2)o1 ZINC000120833625 876313953 /nfs/dbraw/zinc/31/39/53/876313953.db2.gz IDXUVNCIPNMHIW-OXQOHEQNSA-N 0 0 380.448 3.618 10 0 GHAERN Cc1ccc(Cl)c(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000120851847 876319659 /nfs/dbraw/zinc/31/96/59/876319659.db2.gz BNXHDEVWRCXERM-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)c1ccncc1 ZINC000120852389 876320233 /nfs/dbraw/zinc/32/02/33/876320233.db2.gz RTLYKEUARNFWKB-YVEFUNNKSA-N 0 0 392.286 3.870 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000179646060 883017437 /nfs/dbraw/zinc/01/74/37/883017437.db2.gz AXVGABQGIXJXSM-IBGZPJMESA-N 0 0 394.450 3.873 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@@H]1c1ccncc1 ZINC000120896787 876330075 /nfs/dbraw/zinc/33/00/75/876330075.db2.gz UVLDRNACCBJDQP-OAQYLSRUSA-N 0 0 377.488 3.962 10 0 GHAERN C[C@H](NCc1ncc(-c2ccccc2F)o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179821056 883030535 /nfs/dbraw/zinc/03/05/35/883030535.db2.gz QFMNDVBVXQLYRQ-LBPRGKRZSA-N 0 0 392.427 3.874 10 0 GHAERN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1sc2ccccc2c1Cl ZINC000121130835 876561134 /nfs/dbraw/zinc/56/11/34/876561134.db2.gz SIXMWCICRXBQGT-GFCCVEGCSA-N 0 0 385.876 3.594 10 0 GHAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000023158981 877051445 /nfs/dbraw/zinc/05/14/45/877051445.db2.gz RHJCKAXXJGDABR-MRXNPFEDSA-N 0 0 392.427 3.750 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCc3nc(-c4ccsc4)no3)CC2)nc1 ZINC000180863293 883105367 /nfs/dbraw/zinc/10/53/67/883105367.db2.gz KUHQJOXOYRKNIN-UHFFFAOYSA-N 0 0 398.488 3.504 10 0 GHAERN COc1cccc(CCCNC(=O)N[C@H](c2noc(C)n2)c2ccccc2F)c1 ZINC000121537311 877305185 /nfs/dbraw/zinc/30/51/85/877305185.db2.gz WLCOGMHDFZSVID-IBGZPJMESA-N 0 0 398.438 3.547 10 0 GHAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000004308993 877674418 /nfs/dbraw/zinc/67/44/18/877674418.db2.gz ZMSJANXUONKOAW-HKARXFIJSA-N 0 0 399.535 3.563 10 0 GHAERN Cn1cnnc1C1CCN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)CC1 ZINC000024693355 878806728 /nfs/dbraw/zinc/80/67/28/878806728.db2.gz TVTSEQHZLNGGPJ-QPJJXVBHSA-N 0 0 396.438 3.846 10 0 GHAERN CN(C(=O)N[C@@H]1CCC(C)(C)c2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152589003 879707248 /nfs/dbraw/zinc/70/72/48/879707248.db2.gz WTUNQWCOFVMHPG-YLJYHZDGSA-N 0 0 393.535 3.900 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N2CCC(c3ccnn3C)CC2)cc1Cl ZINC000162618127 880217798 /nfs/dbraw/zinc/21/77/98/880217798.db2.gz SFCQUDFSEYZSFA-UHFFFAOYSA-N 0 0 388.320 3.604 10 0 GHAERN CCC(CC)[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCO1 ZINC000181212302 883128942 /nfs/dbraw/zinc/12/89/42/883128942.db2.gz IIBGFOXHWAMXCI-WOJBJXKFSA-N 0 0 388.556 3.642 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN3CCC[C@H](c4nccs4)C3)s2)cc1 ZINC000182423094 883220554 /nfs/dbraw/zinc/22/05/54/883220554.db2.gz FDCQPICNYZIAKB-AWEZNQCLSA-N 0 0 399.545 3.935 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnn(CCC(F)(F)F)c3)C2)cc1 ZINC000182772806 883235166 /nfs/dbraw/zinc/23/51/66/883235166.db2.gz IJQQEWRPLPYOFL-HIFRSBDPSA-N 0 0 381.398 3.862 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2c(F)cc(Cl)cc2F)c2ccccc2)[nH]1 ZINC000182841817 883245379 /nfs/dbraw/zinc/24/53/79/883245379.db2.gz JGFJBJLELMUSGR-CQSZACIVSA-N 0 0 377.782 3.956 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000183796425 883287598 /nfs/dbraw/zinc/28/75/98/883287598.db2.gz OVBNKCKTZLGZAC-OZSKJFCKSA-N 0 0 379.382 3.535 10 0 GHAERN C/C(=C\c1c(Cl)cccc1Cl)C(=O)NCc1cccnc1-n1cncn1 ZINC000184009966 883296579 /nfs/dbraw/zinc/29/65/79/883296579.db2.gz FUILPDSFFFBEDG-XYOKQWHBSA-N 0 0 388.258 3.689 10 0 GHAERN CCc1ccccc1CNC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184020083 883299206 /nfs/dbraw/zinc/29/92/06/883299206.db2.gz FSOAPFMELWJYTD-NRFANRHFSA-N 0 0 383.467 3.681 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@@H](C)c3nc(C)cs3)C2)c1 ZINC000183918478 883310403 /nfs/dbraw/zinc/31/04/03/883310403.db2.gz RVMVHIUXAJZEGJ-UKRRQHHQSA-N 0 0 389.521 3.771 10 0 GHAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCC[C@@H](c2nccs2)C1 ZINC000184680161 883373004 /nfs/dbraw/zinc/37/30/04/883373004.db2.gz VDEHAZXGLCZDNA-MRXNPFEDSA-N 0 0 379.489 3.689 10 0 GHAERN COCc1cccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184846953 883386773 /nfs/dbraw/zinc/38/67/73/883386773.db2.gz ZCIUIMCTVHGTLU-FQEVSTJZSA-N 0 0 385.439 3.587 10 0 GHAERN CCOc1cccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185199890 883414429 /nfs/dbraw/zinc/41/44/29/883414429.db2.gz HYSNGYVCIOPPSR-HXUWFJFHSA-N 0 0 385.439 3.839 10 0 GHAERN CS[C@H]1CCCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185249060 883429275 /nfs/dbraw/zinc/42/92/75/883429275.db2.gz DSHVZRIAELMYCF-PKOBYXMFSA-N 0 0 393.528 3.546 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3ccn(C)c3c2)c2ccc(F)cc2C1 ZINC000185363589 883440455 /nfs/dbraw/zinc/44/04/55/883440455.db2.gz DAVCVDHYFVHDRT-FQEVSTJZSA-N 0 0 394.450 3.932 10 0 GHAERN COc1ccc(F)c(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185397890 883447483 /nfs/dbraw/zinc/44/74/83/883447483.db2.gz APAWUXPSKNANKV-SFHVURJKSA-N 0 0 389.402 3.588 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C3CCCCC3)n[nH]2)c2ccc(F)cc2C1 ZINC000185508414 883547875 /nfs/dbraw/zinc/54/78/75/883547875.db2.gz XNIPQWQDAWNTDL-LJQANCHMSA-N 0 0 398.482 3.820 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2SCCc3ccccc32)c2ccc(F)cc2C1 ZINC000185513824 883548665 /nfs/dbraw/zinc/54/86/65/883548665.db2.gz SDEPZHPPWPVNNV-SFTDATJTSA-N 0 0 398.503 3.766 10 0 GHAERN CC[C@@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000185540249 883552642 /nfs/dbraw/zinc/55/26/42/883552642.db2.gz MZFAWSYREZNBDL-IRLDBZIGSA-N 0 0 398.478 3.938 10 0 GHAERN CSc1cc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000185568321 883558258 /nfs/dbraw/zinc/55/82/58/883558258.db2.gz OLUGRPSJRCVHGG-SFHVURJKSA-N 0 0 390.455 3.910 10 0 GHAERN O=C(NC1CCC(O)(c2cccnc2)CC1)N1CC=C(c2ccccc2)CC1 ZINC000185731721 883580642 /nfs/dbraw/zinc/58/06/42/883580642.db2.gz GCOTXKIBAOQTLP-UHFFFAOYSA-N 0 0 377.488 3.711 10 0 GHAERN CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186552232 883662861 /nfs/dbraw/zinc/66/28/61/883662861.db2.gz YICLEAYPQSIWEC-CYBMUJFWSA-N 0 0 388.493 3.599 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@@H](COCc4ccccc4)C3)ccc2NC1=O ZINC000186579210 883664225 /nfs/dbraw/zinc/66/42/25/883664225.db2.gz AJQZPQITFWMJQU-QGZVFWFLSA-N 0 0 394.475 3.735 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@H](COCc4ccccc4)C3)ccc2NC1=O ZINC000186579189 883664405 /nfs/dbraw/zinc/66/44/05/883664405.db2.gz AJQZPQITFWMJQU-KRWDZBQOSA-N 0 0 394.475 3.735 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(-n2ccnc2)c1 ZINC000186595090 883667429 /nfs/dbraw/zinc/66/74/29/883667429.db2.gz RTUSMQQFEIOJMS-AWEZNQCLSA-N 0 0 390.447 3.732 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)ccc2NC1=O ZINC000186609525 883673701 /nfs/dbraw/zinc/67/37/01/883673701.db2.gz GQJTZDPMRALIBJ-OXQOHEQNSA-N 0 0 394.475 3.953 10 0 GHAERN COc1ccc(CC[C@@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000186620583 883677378 /nfs/dbraw/zinc/67/73/78/883677378.db2.gz UFSMUECGFUXYND-OAHLLOKOSA-N 0 0 388.537 3.759 10 0 GHAERN CC(C)c1nc(C2(NC(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CCCC2)no1 ZINC000186637759 883678790 /nfs/dbraw/zinc/67/87/90/883678790.db2.gz UAEGPMGSCYMEMM-UHFFFAOYSA-N 0 0 398.467 3.761 10 0 GHAERN CCc1ccc([C@H]2COCCN2C(=O)Nc2c(C)csc2C(=O)OC)o1 ZINC000186807462 883707383 /nfs/dbraw/zinc/70/73/83/883707383.db2.gz PJVNPDHALCWLHO-CYBMUJFWSA-N 0 0 378.450 3.604 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)C(C)(C)Cc3cccc(Cl)c3)CC2)n1 ZINC000186768360 883711543 /nfs/dbraw/zinc/71/15/43/883711543.db2.gz HQQIJBUBUNILDO-UHFFFAOYSA-N 0 0 390.915 3.764 10 0 GHAERN Cc1cc(C)c2c(c1)CN(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)CC2 ZINC000187785971 883807222 /nfs/dbraw/zinc/80/72/22/883807222.db2.gz DZDPBEOYNGHMTM-UHFFFAOYSA-N 0 0 394.490 3.880 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCO2)N1CCC(Nc2nccs2)CC1 ZINC000188464648 883852139 /nfs/dbraw/zinc/85/21/39/883852139.db2.gz INCJFPKGDGIHER-UHFFFAOYSA-N 0 0 380.857 3.634 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000188466116 883852300 /nfs/dbraw/zinc/85/23/00/883852300.db2.gz YXWGQMQNXMYQRB-OAQYLSRUSA-N 0 0 375.509 3.593 10 0 GHAERN O=C(Nc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)cc1)C1CC1 ZINC000188475987 883853057 /nfs/dbraw/zinc/85/30/57/883853057.db2.gz LIPSARHJGJJWFN-UHFFFAOYSA-N 0 0 385.493 3.600 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000188692179 883870839 /nfs/dbraw/zinc/87/08/39/883870839.db2.gz PWOZTLRAMZKAMJ-AWEZNQCLSA-N 0 0 380.778 3.505 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000188794869 883872992 /nfs/dbraw/zinc/87/29/92/883872992.db2.gz QGGFIMNAYOMXFG-PZJWPPBQSA-N 0 0 378.472 3.690 10 0 GHAERN Cc1oc(-c2ccccc2)c(C(=O)N2CCC(c3ccnn3CCO)CC2)c1C ZINC000188927425 883885592 /nfs/dbraw/zinc/88/55/92/883885592.db2.gz LPBYQBOGZDIVBZ-UHFFFAOYSA-N 0 0 393.487 3.772 10 0 GHAERN COc1ccccc1O[C@H](C)CNC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189341606 883938911 /nfs/dbraw/zinc/93/89/11/883938911.db2.gz ZROVPPQEINODLG-QGZVFWFLSA-N 0 0 396.487 3.741 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000189375592 883941257 /nfs/dbraw/zinc/94/12/57/883941257.db2.gz ATRRPZNEFXDZQU-AWEZNQCLSA-N 0 0 384.480 3.706 10 0 GHAERN CC(C)(C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(Br)c1 ZINC000102627035 883956856 /nfs/dbraw/zinc/95/68/56/883956856.db2.gz GBLKYIZYTKVIMS-UHFFFAOYSA-N 0 0 379.229 3.603 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc(C)cc1 ZINC000189791952 883995407 /nfs/dbraw/zinc/99/54/07/883995407.db2.gz CTIVGEAEYFMJTN-OAQYLSRUSA-N 0 0 392.499 3.657 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1F ZINC000190044867 884044574 /nfs/dbraw/zinc/04/45/74/884044574.db2.gz QOCFKUVOYGYUET-GFCCVEGCSA-N 0 0 378.473 3.638 10 0 GHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000190261441 884061452 /nfs/dbraw/zinc/06/14/52/884061452.db2.gz UPUPJYWDAOWMCJ-HKUYNNGSSA-N 0 0 379.485 3.669 10 0 GHAERN NC(=O)N[C@H](CC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1cccs1 ZINC000190265131 884062676 /nfs/dbraw/zinc/06/26/76/884062676.db2.gz YISXNTQTYFJEKD-BLLLJJGKSA-N 0 0 393.459 3.532 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 ZINC000190391777 884075516 /nfs/dbraw/zinc/07/55/16/884075516.db2.gz HWKXSZIXSBELGY-BNLOLNQZSA-N 0 0 391.418 3.787 10 0 GHAERN O=C(CSc1nccc2ccccc21)N1CCC(Nc2nccs2)CC1 ZINC000190399642 884087552 /nfs/dbraw/zinc/08/75/52/884087552.db2.gz ZCSVPLVWLKWUQS-UHFFFAOYSA-N 0 0 384.530 3.887 10 0 GHAERN COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc5c(c4)NC(=O)C5)CC3)c2c1 ZINC000190990877 884136803 /nfs/dbraw/zinc/13/68/03/884136803.db2.gz WXWGZVNWUWFNLR-UHFFFAOYSA-N 0 0 389.455 3.691 10 0 GHAERN O=C(Oc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000191023772 884147444 /nfs/dbraw/zinc/14/74/44/884147444.db2.gz RNDCIDXMWPDIFY-UHFFFAOYSA-N 0 0 396.340 3.697 10 0 GHAERN CC(C)Oc1ccc(N(C)C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000191657471 884195047 /nfs/dbraw/zinc/19/50/47/884195047.db2.gz VJRHWKRGPNVSOF-HXUWFJFHSA-N 0 0 381.476 3.527 10 0 GHAERN COc1cccc(-c2noc([C@H](C)NCc3c(C)nc4sc(C)cn34)n2)c1 ZINC000191563459 884200008 /nfs/dbraw/zinc/20/00/08/884200008.db2.gz MYVMZCOCLNFVQX-ZDUSSCGKSA-N 0 0 383.477 3.922 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCN(C(=O)c2ccccc2)CC1 ZINC000193215977 884331909 /nfs/dbraw/zinc/33/19/09/884331909.db2.gz PAIBIHUGYVINOE-OUKQBFOZSA-N 0 0 385.467 3.623 10 0 GHAERN Cn1nccc1/C=C/C(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 ZINC000193187744 884342099 /nfs/dbraw/zinc/34/20/99/884342099.db2.gz AJEMDHYEABEGGG-VQHVLOKHSA-N 0 0 396.882 3.710 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000193406618 884351750 /nfs/dbraw/zinc/35/17/50/884351750.db2.gz IDHDPWPJNIAFQO-UNMCSNQZSA-N 0 0 378.472 3.698 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1F ZINC000102826101 884486080 /nfs/dbraw/zinc/48/60/80/884486080.db2.gz VDVXQCNFIIORGB-VFNWGFHPSA-N 0 0 384.451 3.765 10 0 GHAERN O=C(c1ccc(Br)cn1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102914994 884632859 /nfs/dbraw/zinc/63/28/59/884632859.db2.gz QSVWMLPTKYIWRN-AWEZNQCLSA-N 0 0 375.222 3.550 10 0 GHAERN CNC(=O)[C@@H]1CCCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000104357683 885391385 /nfs/dbraw/zinc/39/13/85/885391385.db2.gz HUXDOIHJPOQGHT-FQEVSTJZSA-N 0 0 393.462 3.644 10 0 GHAERN Cc1nc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc2ccccc12 ZINC000101917202 885958273 /nfs/dbraw/zinc/95/82/73/885958273.db2.gz PHYKYOKVASFPSD-UHFFFAOYSA-N 0 0 378.451 3.928 10 0 GHAERN Cc1csc(C2CCN([C@@H](C(N)=O)c3ccc(Br)cc3)CC2)n1 ZINC000104680936 886004889 /nfs/dbraw/zinc/00/48/89/886004889.db2.gz AGWWKCINAGGLJX-OAHLLOKOSA-N 0 0 394.338 3.620 10 0 GHAERN O=C(NC1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1)C1CCCCC1 ZINC000105045039 886007486 /nfs/dbraw/zinc/00/74/86/886007486.db2.gz VKYBGUVRHSYWSU-UHFFFAOYSA-N 0 0 383.414 3.797 10 0 GHAERN CCN(C(=O)[C@H](C)[S@@](=O)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000105689858 886019388 /nfs/dbraw/zinc/01/93/88/886019388.db2.gz PNIOTIQLYUEFPW-DEXQXJORSA-N 0 0 397.500 3.735 10 0 GHAERN C[C@@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000106306195 886031256 /nfs/dbraw/zinc/03/12/56/886031256.db2.gz WGFBOHPUSTWWAS-OAHLLOKOSA-N 0 0 392.927 3.795 10 0 GHAERN CC(C)n1cnnc1C1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000109994124 886167304 /nfs/dbraw/zinc/16/73/04/886167304.db2.gz UOFYCKOSYDILIA-UHFFFAOYSA-N 0 0 386.883 3.694 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000111784616 886237435 /nfs/dbraw/zinc/23/74/35/886237435.db2.gz PUTPGFDSNRJFQU-UHFFFAOYSA-N 0 0 393.418 3.800 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307312 886257787 /nfs/dbraw/zinc/25/77/87/886257787.db2.gz VGYLOJZIMCAXAY-MDZDMXLPSA-N 0 0 391.496 3.684 10 0 GHAERN Cc1noc(Cl)c1CC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218927 886287195 /nfs/dbraw/zinc/28/71/95/886287195.db2.gz KCGPLUUHKKBBJE-HNNXBMFYSA-N 0 0 384.867 3.975 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)n1 ZINC000116774811 886372578 /nfs/dbraw/zinc/37/25/78/886372578.db2.gz VMRODFCCXRTXMF-IJDCCNJMSA-N 0 0 392.425 3.866 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000117625146 886388545 /nfs/dbraw/zinc/38/85/45/886388545.db2.gz PPRMWQMZSGZVEJ-QVKFZJNVSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1nc([C@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2ccccc2F)no1 ZINC000119151920 886429850 /nfs/dbraw/zinc/42/98/50/886429850.db2.gz HHMXOOCZOMJGSJ-CQSZACIVSA-N 0 0 375.791 3.785 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)n1 ZINC000119701728 886473911 /nfs/dbraw/zinc/47/39/11/886473911.db2.gz ARJSWCPNOIVUOF-MLGOLLRUSA-N 0 0 378.398 3.601 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@@H](Oc3ccccc3Cl)C1)CCC2 ZINC000332692872 886539349 /nfs/dbraw/zinc/53/93/49/886539349.db2.gz VECFKYFLWFRVIJ-HZPDHXFCSA-N 0 0 388.899 3.585 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCOC[C@H]2c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000332716549 886539800 /nfs/dbraw/zinc/53/98/00/886539800.db2.gz RRVWYXIKOJKJPQ-CPUCHLNUSA-N 0 0 389.521 3.583 10 0 GHAERN CC(=O)NCc1ccc(C(=O)Oc2ccc(-c3noc(C4CC4)n3)cc2)s1 ZINC000103846383 913057065 /nfs/dbraw/zinc/05/70/65/913057065.db2.gz DLBOFNQAWPPFCR-UHFFFAOYSA-N 0 0 383.429 3.531 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000122012203 886574756 /nfs/dbraw/zinc/57/47/56/886574756.db2.gz PIHACHJICIVDBO-JXFKEZNVSA-N 0 0 378.472 3.516 10 0 GHAERN CN(C(=O)c1cccc(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)c1)c1ccccc1 ZINC000122375972 886586441 /nfs/dbraw/zinc/58/64/41/886586441.db2.gz VYIBOCTXTXBYRW-RXVVDRJESA-N 0 0 393.487 3.996 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000103864281 913073971 /nfs/dbraw/zinc/07/39/71/913073971.db2.gz WEJKCDSJUGGGDH-QGZVFWFLSA-N 0 0 395.503 3.767 10 0 GHAERN Cc1nc([C@H](NC(=O)N(Cc2ccccc2)C2CC2)c2ccccc2F)no1 ZINC000124332730 886733738 /nfs/dbraw/zinc/73/37/38/886733738.db2.gz REYBQMHQPBKFQG-LJQANCHMSA-N 0 0 380.423 3.981 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000105015347 887226692 /nfs/dbraw/zinc/22/66/92/887226692.db2.gz FCTOKUBYYOFHBT-INIZCTEOSA-N 0 0 383.492 3.930 10 0 GHAERN CC[C@@H](NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)c1c(C)noc1C ZINC000129673103 887334541 /nfs/dbraw/zinc/33/45/41/887334541.db2.gz AFBFVSQHXDXZDY-DNVCBOLYSA-N 0 0 387.480 3.959 10 0 GHAERN CC[C@H](NC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1)c1c(C)noc1C ZINC000129672895 887335135 /nfs/dbraw/zinc/33/51/35/887335135.db2.gz AFBFVSQHXDXZDY-BEFAXECRSA-N 0 0 387.480 3.959 10 0 GHAERN O=C(Nc1cccc(-n2ccnc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000047515052 887338133 /nfs/dbraw/zinc/33/81/33/887338133.db2.gz ACQVHNPHAVTIFS-UHFFFAOYSA-N 0 0 392.434 3.502 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000130499278 887439412 /nfs/dbraw/zinc/43/94/12/887439412.db2.gz YMQMPYKPLQVUCO-AWEZNQCLSA-N 0 0 394.470 3.669 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000105117134 887655946 /nfs/dbraw/zinc/65/59/46/887655946.db2.gz QOHZMGGYVJYLHE-UHFFFAOYSA-N 0 0 382.508 3.962 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)o1 ZINC000133654995 887787666 /nfs/dbraw/zinc/78/76/66/887787666.db2.gz AROAUYHKJZERJS-INIZCTEOSA-N 0 0 381.270 3.947 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3nc(C(C)C)n(-c4cccc(F)c4)n3)CCO2)o1 ZINC000134183116 887839911 /nfs/dbraw/zinc/83/99/11/887839911.db2.gz RQCNLGWUAYIOAR-GOSISDBHSA-N 0 0 398.438 3.645 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134297843 887850437 /nfs/dbraw/zinc/85/04/37/887850437.db2.gz UCOLVWSKSCSIJY-DYVFJYSZSA-N 0 0 393.940 3.771 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000134291922 887850908 /nfs/dbraw/zinc/85/09/08/887850908.db2.gz RHBPPCINMGEVQF-WBMJQRKESA-N 0 0 389.908 3.874 10 0 GHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134351531 887862161 /nfs/dbraw/zinc/86/21/61/887862161.db2.gz CJPYBNCYTXGXMT-YLJYHZDGSA-N 0 0 398.551 3.772 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000134347508 887862908 /nfs/dbraw/zinc/86/29/08/887862908.db2.gz YJKWDGILOVVAHQ-BEFAXECRSA-N 0 0 399.491 3.874 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)sc2cccc(F)c12 ZINC000134381606 887866017 /nfs/dbraw/zinc/86/60/17/887866017.db2.gz BVVNZEVKWZIFIF-SUMWQHHRSA-N 0 0 387.480 3.668 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000134388585 887867131 /nfs/dbraw/zinc/86/71/31/887867131.db2.gz VTOWHGQNIYHOCT-IFMALSPDSA-N 0 0 389.499 3.597 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(N2CCCC2)c1 ZINC000134831680 887919175 /nfs/dbraw/zinc/91/91/75/887919175.db2.gz DXUOSNPGEYQCMP-UWJYYQICSA-N 0 0 380.492 3.606 10 0 GHAERN Cc1cccc(OCCCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 ZINC000054552025 888015281 /nfs/dbraw/zinc/01/52/81/888015281.db2.gz LLUYXNMJAVBQLW-IBGZPJMESA-N 0 0 382.508 3.836 10 0 GHAERN COc1cccc([C@H](NC(=O)/C=C/c2cccc3cccnc23)c2nccn2C)c1 ZINC000055386486 888151531 /nfs/dbraw/zinc/15/15/31/888151531.db2.gz VJKLDRFSDLVAQB-RGPPVUSESA-N 0 0 398.466 3.896 10 0 GHAERN CC[C@@H](C)N(CC(=O)OC(C)(C)C)Cc1nnc(-c2ccccc2OC)o1 ZINC000136805448 888317801 /nfs/dbraw/zinc/31/78/01/888317801.db2.gz RTBOPYAYEIDLEW-CQSZACIVSA-N 0 0 375.469 3.687 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c(F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000055542636 888321534 /nfs/dbraw/zinc/32/15/34/888321534.db2.gz DJPMSDDSTADLLJ-UHFFFAOYSA-N 0 0 398.406 3.980 10 0 GHAERN Cc1csc(N2CCCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)n1 ZINC000055759619 888331824 /nfs/dbraw/zinc/33/18/24/888331824.db2.gz IFMWWHIOFBJUOM-UHFFFAOYSA-N 0 0 396.516 3.778 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC(Oc2ccccc2)CC1 ZINC000055764500 888331967 /nfs/dbraw/zinc/33/19/67/888331967.db2.gz QRKKYCDNKPDREL-LJQANCHMSA-N 0 0 382.485 3.560 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000056442296 888361957 /nfs/dbraw/zinc/36/19/57/888361957.db2.gz BVBVMWFZQVPZTJ-DLENHJPASA-N 0 0 385.485 3.524 10 0 GHAERN COc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000056644309 888370994 /nfs/dbraw/zinc/37/09/94/888370994.db2.gz JHSRGGCPNKMFSA-UHFFFAOYSA-N 0 0 379.460 3.718 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCCCCOCCc1ccccc1 ZINC000057379819 888401733 /nfs/dbraw/zinc/40/17/33/888401733.db2.gz NDZYCKBESJLYDU-FQEVSTJZSA-N 0 0 398.528 3.645 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Cc2nc(-c3ccccc3)oc2C)c2ccccc2)[nH]1 ZINC000057796416 888414059 /nfs/dbraw/zinc/41/40/59/888414059.db2.gz VLYJQRVFIURFMW-FQEVSTJZSA-N 0 0 387.443 3.525 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000193869729 888531571 /nfs/dbraw/zinc/53/15/71/888531571.db2.gz CHSGOFCWSKBPDN-HXUWFJFHSA-N 0 0 379.504 3.761 10 0 GHAERN OCCn1nccc1C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000195508477 888683363 /nfs/dbraw/zinc/68/33/63/888683363.db2.gz NNAOYYYJFRRSJF-UHFFFAOYSA-N 0 0 386.883 3.563 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000244322088 888734795 /nfs/dbraw/zinc/73/47/95/888734795.db2.gz XIZZNSZREKUDQQ-UHFFFAOYSA-N 0 0 399.878 3.789 10 0 GHAERN CN1CC[C@@H](CNC(=O)c2cccnc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245660655 889181782 /nfs/dbraw/zinc/18/17/82/889181782.db2.gz FVBNZMJDLNLXDM-BLLLJJGKSA-N 0 0 382.266 3.950 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)N[C@H](C)c2ncc(C)s2)C1 ZINC000245917515 890011998 /nfs/dbraw/zinc/01/19/98/890011998.db2.gz FSVYXXOKSNERAD-DJIMGWMZSA-N 0 0 387.505 3.501 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1nc(C2CCCCC2)no1 ZINC000173611928 890107264 /nfs/dbraw/zinc/10/72/64/890107264.db2.gz WBLSPBUXLJWBQW-CQSZACIVSA-N 0 0 386.500 3.501 10 0 GHAERN CSc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154151 890555178 /nfs/dbraw/zinc/55/51/78/890555178.db2.gz TXMKTPOZZCYQNT-LSDHHAIUSA-N 0 0 385.537 3.542 10 0 GHAERN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246203189 890686720 /nfs/dbraw/zinc/68/67/20/890686720.db2.gz UTNMIXBUGRIVBJ-NSISKUIASA-N 0 0 382.460 3.558 10 0 GHAERN COc1cc(CN(C)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1SC ZINC000246236877 890798864 /nfs/dbraw/zinc/79/88/64/890798864.db2.gz XCFYMFMSSBLBEO-ZTFGCOKTSA-N 0 0 376.522 3.516 10 0 GHAERN Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000246251940 890847423 /nfs/dbraw/zinc/84/74/23/890847423.db2.gz VONCLEMQYPRULW-FDFHNCONSA-N 0 0 389.499 3.649 10 0 GHAERN CCCN1Cc2cccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2C1 ZINC000066761298 891128692 /nfs/dbraw/zinc/12/86/92/891128692.db2.gz SXTOOJFSKYSJHB-IBGZPJMESA-N 0 0 381.501 3.854 10 0 GHAERN CC1CCN(c2nnc(SCc3nc(-c4ccoc4)no3)n2C2CC2)CC1 ZINC000105573138 891243881 /nfs/dbraw/zinc/24/38/81/891243881.db2.gz VFUMQLIMCPVBIZ-UHFFFAOYSA-N 0 0 386.481 3.785 10 0 GHAERN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246646063 891294671 /nfs/dbraw/zinc/29/46/71/891294671.db2.gz CMZUKIOWEMWVOW-RRFJBIMHSA-N 0 0 393.896 3.556 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000247054214 891340723 /nfs/dbraw/zinc/34/07/23/891340723.db2.gz UNLCLHDIFWIHGP-SCLBCKFNSA-N 0 0 395.400 3.880 10 0 GHAERN CC(=O)N1CCC(C(=O)NCc2c(C)cc(C)cc2C)(c2ccccc2)CC1 ZINC000247907356 891398058 /nfs/dbraw/zinc/39/80/58/891398058.db2.gz COVJMOXZTNIIBR-UHFFFAOYSA-N 0 0 378.516 3.808 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000248621305 891446389 /nfs/dbraw/zinc/44/63/89/891446389.db2.gz YCJVCXHOELQCQH-HUUCEWRRSA-N 0 0 392.912 3.587 10 0 GHAERN c1cc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1Cc1nnc2n1CCCCC2 ZINC000248755824 891466419 /nfs/dbraw/zinc/46/64/19/891466419.db2.gz VCMCOFNCXYMMLL-VLCRHTCISA-N 0 0 378.520 3.965 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c2ccc(F)cc2C1 ZINC000248772288 891468352 /nfs/dbraw/zinc/46/83/52/891468352.db2.gz YIDSVQOVIXZLMO-KGSNELEXSA-N 0 0 387.499 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCC[C@@H](C)CC2)c2ccc(F)cc2C1 ZINC000249070158 891492416 /nfs/dbraw/zinc/49/24/16/891492416.db2.gz JMWQWDFIPUUHPE-WNYOCNMUSA-N 0 0 375.488 3.887 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251658541 891636573 /nfs/dbraw/zinc/63/65/73/891636573.db2.gz HXIJCDHMSRUMDE-IMJJTQAJSA-N 0 0 394.302 3.844 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162957837 892054728 /nfs/dbraw/zinc/05/47/28/892054728.db2.gz ANICNUJLBAQSEA-MELADBBJSA-N 0 0 385.434 3.692 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162957968 892055923 /nfs/dbraw/zinc/05/59/23/892055923.db2.gz ANICNUJLBAQSEA-BFHYXJOUSA-N 0 0 385.434 3.692 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N[C@@H](c3ccccc3)C3CCC3)c(=O)[nH]c21 ZINC000104421575 898146516 /nfs/dbraw/zinc/14/65/16/898146516.db2.gz LIHPWOWCKMLMRF-VIOKTNGOSA-N 0 0 390.487 3.976 10 0 GHAERN CNC(=O)COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000105058459 898185809 /nfs/dbraw/zinc/18/58/09/898185809.db2.gz VJLWIQUHDPNZNU-CYBMUJFWSA-N 0 0 375.856 3.690 10 0 GHAERN O=C(NCCCc1nnc2n1CCCCC2)N(Cc1ccco1)C1CCCC1 ZINC000105236279 898202577 /nfs/dbraw/zinc/20/25/77/898202577.db2.gz LHXWTNPEHJCHKW-UHFFFAOYSA-N 0 0 385.512 3.685 10 0 GHAERN Cc1ccc(Cc2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)c(Br)c1 ZINC000333805447 902339098 /nfs/dbraw/zinc/33/90/98/902339098.db2.gz GYFJBDFIJKIHDJ-MAUKXSAKSA-N 0 0 392.297 3.657 10 0 GHAERN CC(C)c1nc(C2(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)CCCC2)no1 ZINC000175187514 905472102 /nfs/dbraw/zinc/47/21/02/905472102.db2.gz NADGAZAIKKTPDT-MRXNPFEDSA-N 0 0 396.491 3.670 10 0 GHAERN C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176074333 905747335 /nfs/dbraw/zinc/74/73/35/905747335.db2.gz LVOIKMCYGVSGSB-KGLIPLIRSA-N 0 0 390.480 3.619 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183074530 907322863 /nfs/dbraw/zinc/32/28/63/907322863.db2.gz CSIOVOKLQSTWPA-CYBMUJFWSA-N 0 0 388.378 3.713 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000185410001 907769309 /nfs/dbraw/zinc/76/93/09/907769309.db2.gz RBMYECHTSZMBSZ-AWEZNQCLSA-N 0 0 399.842 3.800 10 0 GHAERN CCn1c(CCNC(=O)N2CCC[C@H]2c2csc(C)n2)nc2ccccc21 ZINC000186478002 907930730 /nfs/dbraw/zinc/93/07/30/907930730.db2.gz UBJYHLONVVXEAT-SFHVURJKSA-N 0 0 383.521 3.910 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2c[nH]c3nccc(Cl)c23)cs1 ZINC000187999428 908165160 /nfs/dbraw/zinc/16/51/60/908165160.db2.gz NQARFDOFIRBOCR-LBPRGKRZSA-N 0 0 382.898 3.507 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000190009750 908402348 /nfs/dbraw/zinc/40/23/48/908402348.db2.gz XTPWLZBDXQKAGC-PBHICJAKSA-N 0 0 391.427 3.604 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000190060629 908415769 /nfs/dbraw/zinc/41/57/69/908415769.db2.gz KNJNKVDKOFHGAZ-IUIKQTSFSA-N 0 0 397.397 3.564 10 0 GHAERN O=C(c1cccnc1SC(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000363090994 917756672 /nfs/dbraw/zinc/75/66/72/917756672.db2.gz RTKQLQRJMDDYNJ-UHFFFAOYSA-N 0 0 397.491 3.651 10 0 GHAERN O=C(/C=C/c1ccc2ccccc2n1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000367640216 922246871 /nfs/dbraw/zinc/24/68/71/922246871.db2.gz YGXYGTCQRKLUAT-VHYZBGKTSA-N 0 0 390.443 3.545 10 0 GHAERN O=C(C1CCS(=O)(=O)CC1)N1CC[C@@H](c2cccc(Oc3ccccc3)c2)C1 ZINC000369887128 923710758 /nfs/dbraw/zinc/71/07/58/923710758.db2.gz IZEWUAAASYGKIM-LJQANCHMSA-N 0 0 399.512 3.620 10 0 GHAERN O=C(c1cccc(I)c1)N1CCC[C@@H]1c1nccs1 ZINC000372129314 925178547 /nfs/dbraw/zinc/17/85/47/925178547.db2.gz VURYHEKDKWCICC-GFCCVEGCSA-N 0 0 384.242 3.725 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000182278880 1014568372 /nfs/dbraw/zinc/56/83/72/1014568372.db2.gz VIZRMWDFXSZLGE-RRFJBIMHSA-N 0 0 399.461 3.972 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(F)cc3cccnc32)c2ccc(F)cc2C1 ZINC000185531432 1014585656 /nfs/dbraw/zinc/58/56/56/1014585656.db2.gz XKFXRWNDYXRUJV-FQEVSTJZSA-N 0 0 395.409 3.736 10 0 GHAERN Cc1nn(C)c(C)c1CN(C(=O)c1cc(Cc2ccc(F)cc2)no1)C1CC1 ZINC000014999874 210144118 /nfs/dbraw/zinc/14/41/18/210144118.db2.gz FWJHNTAAHJPGBF-UHFFFAOYSA-N 0 0 382.439 3.560 10 0 GHAERN CC[C@H](C)C(=O)C(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccc(F)cc2)C1 ZINC000014881405 210128424 /nfs/dbraw/zinc/12/84/24/210128424.db2.gz AVTABGTZWPUKSI-YOEHRIQHSA-N 0 0 383.467 3.912 10 0 GHAERN COc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)c(OC)c1OC ZINC000014425915 210117132 /nfs/dbraw/zinc/11/71/32/210117132.db2.gz AJBVSNGXFAGASJ-NSHDSACASA-N 0 0 394.265 3.966 10 0 GHAERN Cc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCCOC(C)C)s1 ZINC000006781287 209684667 /nfs/dbraw/zinc/68/46/67/209684667.db2.gz QFYIPCRZCRPXPG-UHFFFAOYSA-N 0 0 382.489 3.896 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCSCC1)C(Cl)=C(Cl)Cl ZINC000002565070 209369935 /nfs/dbraw/zinc/36/99/35/209369935.db2.gz PYJQEOLMOIMWIS-UHFFFAOYSA-N 0 0 379.696 3.700 10 0 GHAERN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C[C@@H](C(C)C)O4 ZINC000001684801 209337146 /nfs/dbraw/zinc/33/71/46/209337146.db2.gz DTFARBHXORYQBF-ORYQWCPZSA-N 0 0 396.439 3.783 10 0 GHAERN CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 ZINC000001365851 209322380 /nfs/dbraw/zinc/32/23/80/209322380.db2.gz PQRUZSCSLCRWDQ-LBPRGKRZSA-N 0 0 393.534 3.505 10 0 GHAERN CCO[C@H](Cc1ccccc1)N1CCN(C[C@@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000022859915 209238653 /nfs/dbraw/zinc/23/86/53/209238653.db2.gz BAAVGUJEGRPVRG-AUSIDOKSSA-N 0 0 398.522 3.867 10 0 GHAERN CCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(c2ncccn2)CC1 ZINC000067497135 209216953 /nfs/dbraw/zinc/21/69/53/209216953.db2.gz QHXPVFUBKACGAT-UHFFFAOYSA-N 0 0 394.397 3.749 10 0 GHAERN C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1Br ZINC000016087469 211714038 /nfs/dbraw/zinc/71/40/38/211714038.db2.gz BUUBSKPZEYUZJE-SECBINFHSA-N 0 0 375.675 3.537 10 0 GHAERN CC[C@H](C)Oc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1OC ZINC000012919276 211693005 /nfs/dbraw/zinc/69/30/05/211693005.db2.gz AUWLBIBQRHWFGW-HCZVKUGISA-N 0 0 380.469 3.643 10 0 GHAERN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 ZINC000096373074 211337784 /nfs/dbraw/zinc/33/77/84/211337784.db2.gz CFVUDEICKZXWNC-AWEZNQCLSA-N 0 0 391.562 3.602 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095091750 211220012 /nfs/dbraw/zinc/22/00/12/211220012.db2.gz CDGFUNASFDXXOY-UHFFFAOYSA-N 0 0 386.496 3.864 10 0 GHAERN CC(=O)c1nc2ccccc2n1C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000095082719 211218690 /nfs/dbraw/zinc/21/86/90/211218690.db2.gz KBLPKUUHCUZHOS-GOSISDBHSA-N 0 0 377.444 3.898 10 0 GHAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)n1 ZINC000095075110 211217685 /nfs/dbraw/zinc/21/76/85/211217685.db2.gz SERGBQBAZYKPMS-ZDUSSCGKSA-N 0 0 384.318 3.927 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095074910 211216874 /nfs/dbraw/zinc/21/68/74/211216874.db2.gz RPKIDCNMXZZHCS-UHFFFAOYSA-N 0 0 375.300 3.615 10 0 GHAERN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)c2cc(C=O)ccc2C1 ZINC000091692598 211204170 /nfs/dbraw/zinc/20/41/70/211204170.db2.gz YEAXRCXQJPIVAE-UHFFFAOYSA-N 0 0 376.453 3.991 10 0 GHAERN O=C(c1ccc2cc[nH]c2c1)N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000089209019 211180035 /nfs/dbraw/zinc/18/00/35/211180035.db2.gz KOUZGBOTDAQJFF-UHFFFAOYSA-N 0 0 398.919 3.976 10 0 GHAERN COc1ccc(Cn2nc(-c3ccc(F)cc3)c3c2CCN(C(C)=O)C3)cc1 ZINC000079569148 211157300 /nfs/dbraw/zinc/15/73/00/211157300.db2.gz DHKHHLSNGPUZPA-UHFFFAOYSA-N 0 0 379.435 3.651 10 0 GHAERN CC(C)c1ccc(CNC(=O)[C@H]2CCc3nc(N4CCCC4)ncc3C2)cc1 ZINC000075877224 211127603 /nfs/dbraw/zinc/12/76/03/211127603.db2.gz MRBCNJWNUOSWDZ-IBGZPJMESA-N 0 0 378.520 3.622 10 0 GHAERN O=C(CNc1ccc2ccccc2c1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 ZINC000074942224 211126436 /nfs/dbraw/zinc/12/64/36/211126436.db2.gz FPHCRBVZQKQXRP-NRFANRHFSA-N 0 0 392.480 3.596 10 0 GHAERN Cc1cc(-n2cccn2)ccc1-c1nccn1Cc1nc(-c2cccnc2)no1 ZINC000071764684 211060674 /nfs/dbraw/zinc/06/06/74/211060674.db2.gz NUMKWFIPNAEPFY-UHFFFAOYSA-N 0 0 383.415 3.538 10 0 GHAERN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCN(c1ncnc3nc[nH]c31)C2 ZINC000067642910 211012640 /nfs/dbraw/zinc/01/26/40/211012640.db2.gz IZICFIAZDKAALX-UHFFFAOYSA-N 0 0 393.834 3.778 10 0 GHAERN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N1CCCC1 ZINC000064998558 210960115 /nfs/dbraw/zinc/96/01/15/210960115.db2.gz CVAGWRVOTJJOTN-UHFFFAOYSA-N 0 0 381.505 3.860 10 0 GHAERN CCCn1c2nn(Cc3cc(C)ccc3C)c(=O)n2c2cc(Cl)ccc2c1=O ZINC000064860857 210951340 /nfs/dbraw/zinc/95/13/40/210951340.db2.gz MMBMMLPKNPRTGH-UHFFFAOYSA-N 0 0 396.878 3.539 10 0 GHAERN O=C(NC[C@@H]1CCCO1)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000035527295 210689306 /nfs/dbraw/zinc/68/93/06/210689306.db2.gz UTDZFTCLFCZQOA-IBGZPJMESA-N 0 0 375.428 3.845 10 0 GHAERN Cc1ccsc1CCNS(=O)(=O)c1cc(-c2cnc(C)o2)ccc1C ZINC000021033020 210374954 /nfs/dbraw/zinc/37/49/54/210374954.db2.gz CUKLLXUFUCKWCN-UHFFFAOYSA-N 0 0 376.503 3.849 10 0 GHAERN COc1ccc([C@@H]2CC(=O)c3c(O)c(OC)c(OC)c(OC)c3O2)cc1Cl ZINC000504780706 533138769 /nfs/dbraw/zinc/13/87/69/533138769.db2.gz JZTGLGXJSLBZQA-ZDUSSCGKSA-N 0 0 394.807 3.787 10 0 GHAERN CCc1nn(CC(=O)Nc2ccc(C)c(F)c2)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803412 220963972 /nfs/dbraw/zinc/96/39/72/220963972.db2.gz OZLIMZMTRHSQMB-UHFFFAOYSA-N 0 0 392.434 3.606 10 0 GHAERN COc1ccc(C(=O)N[C@H](c2nnc(N3CCCC3)o2)c2ccccc2)c(C)c1 ZINC000096101853 533344294 /nfs/dbraw/zinc/34/42/94/533344294.db2.gz AVYDSGNXYIFXJP-IBGZPJMESA-N 0 0 392.459 3.506 10 0 GHAERN COc1ccc(CNc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc3ccccc32)cc1 ZINC000072260774 136167790 /nfs/dbraw/zinc/16/77/90/136167790.db2.gz DXKPQVMKNLRJAM-IYBDPMFKSA-N 0 0 378.476 3.864 10 0 GHAERN C[C@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000504132056 533885589 /nfs/dbraw/zinc/88/55/89/533885589.db2.gz WKLORKLFLMTHHY-PNLRILQBSA-N 0 0 392.580 3.565 10 0 GHAERN COCc1cc(Cl)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000057343624 522927819 /nfs/dbraw/zinc/92/78/19/522927819.db2.gz BOVQYIMAXVFSTD-UHFFFAOYSA-N 0 0 386.805 3.622 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087105 534894133 /nfs/dbraw/zinc/89/41/33/534894133.db2.gz MKEACGPDYBUKAU-OAHLLOKOSA-N 0 0 383.496 3.698 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000095091784 535572159 /nfs/dbraw/zinc/57/21/59/535572159.db2.gz FFMPQSYDQQXZEU-HNNXBMFYSA-N 0 0 386.496 3.864 10 0 GHAERN COc1ccccc1-c1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1 ZINC000006781123 570283724 /nfs/dbraw/zinc/28/37/24/570283724.db2.gz LOUQSMVYVKJIEW-UHFFFAOYSA-N 0 0 382.423 3.768 10 0 GHAERN COC(=O)CSCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(C)cc1 ZINC000006477529 570325181 /nfs/dbraw/zinc/32/51/81/570325181.db2.gz ZDFARUXESNWSTK-INIZCTEOSA-N 0 0 388.514 3.640 10 0 GHAERN CCCCn1cc(-c2cc(C(=O)N3CCOCC3)c3cccc(C)c3n2)cn1 ZINC000023146005 570346837 /nfs/dbraw/zinc/34/68/37/570346837.db2.gz PSRRYPIJLOTWQG-UHFFFAOYSA-N 0 0 378.476 3.679 10 0 GHAERN Nc1ccc(-c2nc3cc(NC(=S)C(=O)Nc4ccccn4)ccc3o2)cc1 ZINC000005395310 570437440 /nfs/dbraw/zinc/43/74/40/570437440.db2.gz YTWCBKOKLWJNIY-UHFFFAOYSA-N 0 0 389.440 3.850 10 0 GHAERN CN(C)c1ccc(C(=O)NCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000064887943 570577966 /nfs/dbraw/zinc/57/79/66/570577966.db2.gz IJACDGJNLQXSKO-UHFFFAOYSA-N 0 0 376.382 3.551 10 0 GHAERN Cc1oc2ncnc(OCC(=O)Nc3ccc(Br)cc3F)c2c1C ZINC000032996787 570579239 /nfs/dbraw/zinc/57/92/39/570579239.db2.gz GSTIOLUJLLBUTI-UHFFFAOYSA-N 0 0 394.200 3.759 10 0 GHAERN O=C(c1cccc2c1SCCC2=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006781959 570589649 /nfs/dbraw/zinc/58/96/49/570589649.db2.gz WVMWEEQWKQMZBG-UHFFFAOYSA-N 0 0 386.904 3.981 10 0 GHAERN C[C@@H]1Cc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2N1C(=O)C1CC1 ZINC000006866529 570655715 /nfs/dbraw/zinc/65/57/15/570655715.db2.gz PMMUXRIYWFYMQJ-OAHLLOKOSA-N 0 0 396.512 3.516 10 0 GHAERN O=c1/c(=C/c2c(Cl)cccc2Cl)sc2nc(Cc3ccccc3)nn12 ZINC000048513169 570659243 /nfs/dbraw/zinc/65/92/43/570659243.db2.gz BPOWSSNOHKATFK-GDNBJRDFSA-N 0 0 388.279 3.596 10 0 GHAERN O=C(NCCc1nc2cccnc2n1C1CCCC1)NCc1ccc(F)cc1 ZINC000033025547 570660102 /nfs/dbraw/zinc/66/01/02/570660102.db2.gz ULBODXMUYHPABZ-UHFFFAOYSA-N 0 0 381.455 3.727 10 0 GHAERN O=C(N[C@@H](c1nnc(N2CCCCC2)o1)c1ccccc1)c1cccc(F)c1 ZINC000065209630 570731252 /nfs/dbraw/zinc/73/12/52/570731252.db2.gz UXTCFCCGYIOCEN-GOSISDBHSA-N 0 0 380.423 3.718 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1 ZINC000105986773 837671451 /nfs/dbraw/zinc/67/14/51/837671451.db2.gz QBCFTEHSGNTFAD-HNNXBMFYSA-N 0 0 399.516 3.834 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000156603754 834464485 /nfs/dbraw/zinc/46/44/85/834464485.db2.gz LSDIQTDFYILPJA-YKKVUUMLSA-N 0 0 378.472 3.701 10 0 GHAERN CCCc1noc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000245687808 834697257 /nfs/dbraw/zinc/69/72/57/834697257.db2.gz TVJDJNXXAPCSDG-SJKOYZFVSA-N 0 0 380.286 3.747 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCO1 ZINC000246060201 834793654 /nfs/dbraw/zinc/79/36/54/834793654.db2.gz CIRZHQPIYLZHDI-ZVZYQTTQSA-N 0 0 376.522 3.590 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 ZINC000157329069 834869311 /nfs/dbraw/zinc/86/93/11/834869311.db2.gz VJQYBZGUNUIZOQ-UHFFFAOYSA-N 0 0 385.487 3.646 10 0 GHAERN CCCC(=O)Nc1cccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c1C ZINC000157509515 834965318 /nfs/dbraw/zinc/96/53/18/834965318.db2.gz YRLPYAXYWNUQFI-UHFFFAOYSA-N 0 0 397.523 3.954 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@H]3CCC(C)(C)C[C@H]3C)CC2)no1 ZINC000175849986 835065393 /nfs/dbraw/zinc/06/53/93/835065393.db2.gz NUTSZJWFPSAHOV-CJNGLKHVSA-N 0 0 376.501 3.558 10 0 GHAERN CCc1cccc2c(CC(=O)NC3CCN(c4ccc(C)cn4)CC3)c[nH]c21 ZINC000157818179 835109484 /nfs/dbraw/zinc/10/94/84/835109484.db2.gz YBORZSHCEYZISB-UHFFFAOYSA-N 0 0 376.504 3.761 10 0 GHAERN Cn1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)c2ccccc21 ZINC000329514814 835167788 /nfs/dbraw/zinc/16/77/88/835167788.db2.gz MBEAFZLIJAATDY-LBPRGKRZSA-N 0 0 376.382 3.940 10 0 GHAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](O)c2ccccc21 ZINC000168560022 835431876 /nfs/dbraw/zinc/43/18/76/835431876.db2.gz VYAQGZQWHIILGG-LBPRGKRZSA-N 0 0 388.308 3.533 10 0 GHAERN O=C(Nc1ccccc1N1CCc2ccccc21)N1CCC(n2cncn2)CC1 ZINC000101744068 835543284 /nfs/dbraw/zinc/54/32/84/835543284.db2.gz QHGBKKIRLBYVQD-UHFFFAOYSA-N 0 0 388.475 3.841 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)sc1C ZINC000329668603 835580722 /nfs/dbraw/zinc/58/07/22/835580722.db2.gz RBWHKJVEMKBZTK-IAGOWNOFSA-N 0 0 391.581 3.893 10 0 GHAERN CC(C)(c1nc([C@H]2CN3CCC[C@H]3CO2)no1)c1ccc(Br)cc1 ZINC000329704505 835737672 /nfs/dbraw/zinc/73/76/72/835737672.db2.gz IVHALLQUFRUOJR-LSDHHAIUSA-N 0 0 392.297 3.694 10 0 GHAERN CCc1nc([C@H](C)NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)cs1 ZINC000112391728 835738317 /nfs/dbraw/zinc/73/83/17/835738317.db2.gz PJHLIYMTPFAVBN-AWEZNQCLSA-N 0 0 399.520 3.748 10 0 GHAERN CC[C@@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000245840292 844084648 /nfs/dbraw/zinc/08/46/48/844084648.db2.gz FZQCSDKPIGQUBE-ZBFHGGJFSA-N 0 0 377.510 3.535 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000246455653 844167389 /nfs/dbraw/zinc/16/73/89/844167389.db2.gz DCDKDNVHBINLPY-UWVAXJGDSA-N 0 0 379.508 3.725 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000332802496 836659334 /nfs/dbraw/zinc/65/93/34/836659334.db2.gz ZOVOJVGSDLIIAU-GKCIPKSASA-N 0 0 382.508 3.758 10 0 GHAERN CCCN(C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)[C@@H]1CCc2ccccc21 ZINC000332856231 836777078 /nfs/dbraw/zinc/77/70/78/836777078.db2.gz HDLBPOHEQDUVBE-PKOBYXMFSA-N 0 0 381.524 3.825 10 0 GHAERN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCC[C@H]1c1nc[nH]n1 ZINC000253558617 844203596 /nfs/dbraw/zinc/20/35/96/844203596.db2.gz JKNIPHVOIWVCQV-DYEKYZERSA-N 0 0 398.536 3.928 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](C)c3ccc(F)cc3Cl)C2)nn1 ZINC000332905681 836953553 /nfs/dbraw/zinc/95/35/53/836953553.db2.gz VZKDSEWOTAUZDE-DZGCQCFKSA-N 0 0 391.878 3.607 10 0 GHAERN C[C@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000102561859 837182116 /nfs/dbraw/zinc/18/21/16/837182116.db2.gz YXLFMBXREAYKFG-ZDUSSCGKSA-N 0 0 393.422 3.960 10 0 GHAERN Cc1csc(C2CCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)CC2)n1 ZINC000102655890 837198052 /nfs/dbraw/zinc/19/80/52/837198052.db2.gz BNEPQPIBSMHRMF-UHFFFAOYSA-N 0 0 384.461 3.610 10 0 GHAERN O=C(NCc1cnn(Cc2ccccc2)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180170 837273422 /nfs/dbraw/zinc/27/34/22/837273422.db2.gz ZEUPFYIIEIKWQM-QHCPKHFHSA-N 0 0 397.482 3.915 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)[C@H](C)CC)C3)C2)n1 ZINC000247055126 837943348 /nfs/dbraw/zinc/94/33/48/837943348.db2.gz HCZVYRZCILFXEZ-BRWVUGGUSA-N 0 0 391.581 3.696 10 0 GHAERN CC(C)[C@H]1CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000114828080 838351223 /nfs/dbraw/zinc/35/12/23/838351223.db2.gz ARSOIDUOTZLDAJ-VIQWUECVSA-N 0 0 395.613 3.588 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(Cl)c1 ZINC000178435162 838361862 /nfs/dbraw/zinc/36/18/62/838361862.db2.gz TXFZWWSOYBFVFK-UHFFFAOYSA-N 0 0 375.900 3.988 10 0 GHAERN Cc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(F)c3Cl)C2)[nH]n1 ZINC000407978563 838364753 /nfs/dbraw/zinc/36/47/53/838364753.db2.gz ZZMYMUABJKDPDL-JTQLQIEISA-N 0 0 392.283 3.732 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCC(c2nnc3ccccn32)CC1 ZINC000407997098 838485712 /nfs/dbraw/zinc/48/57/12/838485712.db2.gz DZXORJMONLGRGO-UHFFFAOYSA-N 0 0 395.429 3.739 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000182533355 838751778 /nfs/dbraw/zinc/75/17/78/838751778.db2.gz NYMMTLKGIIMPTL-MGPLVRAMSA-N 0 0 389.240 3.886 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCCCc2c[nH]c3ccccc23)c2ccccc2)[nH]1 ZINC000107852097 838857378 /nfs/dbraw/zinc/85/73/78/838857378.db2.gz PUABYNHCOYVMLF-FQEVSTJZSA-N 0 0 388.475 3.616 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)Cc1csc(N2CCCC2=O)n1 ZINC000123328833 839026667 /nfs/dbraw/zinc/02/66/67/839026667.db2.gz AHYFHQINAVMQIH-IBGZPJMESA-N 0 0 383.517 3.642 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)C1 ZINC000246411872 839685329 /nfs/dbraw/zinc/68/53/29/839685329.db2.gz LWQZAKOHIDAUKP-SXLOBPIMSA-N 0 0 397.519 3.681 10 0 GHAERN O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(F)cc1Br ZINC000109501842 840362230 /nfs/dbraw/zinc/36/22/30/840362230.db2.gz ACLCWVARHGVLRO-UHFFFAOYSA-N 0 0 388.196 3.591 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121052030 840427208 /nfs/dbraw/zinc/42/72/08/840427208.db2.gz DJSFVPDCMDWLPR-YPHNTLSLSA-N 0 0 392.368 3.903 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)c3ccccc3OC3CCCCC3)CC2)n1 ZINC000119926006 840451523 /nfs/dbraw/zinc/45/15/23/840451523.db2.gz TUJDFKHRKKPOPF-INIZCTEOSA-N 0 0 398.507 3.609 10 0 GHAERN O=C(c1ccc(I)cc1)N1CCC[C@H]1c1nccs1 ZINC000372127493 840575799 /nfs/dbraw/zinc/57/57/99/840575799.db2.gz CRHOPPWEVLPFEA-LBPRGKRZSA-N 0 0 384.242 3.725 10 0 GHAERN C/C(=C/c1c(Cl)cccc1Cl)C(=O)N1CCN(c2cccnn2)CC1 ZINC000588472295 844562132 /nfs/dbraw/zinc/56/21/32/844562132.db2.gz VMYSMJBXWKVCIE-SEYXRHQNSA-N 0 0 377.275 3.536 10 0 GHAERN O=C(NCc1cc(F)ccc1Br)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408128025 841070004 /nfs/dbraw/zinc/07/00/04/841070004.db2.gz HHWUOQDDTYCPSZ-OIISXLGYSA-N 0 0 399.304 3.813 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 ZINC000332893553 844608933 /nfs/dbraw/zinc/60/89/33/844608933.db2.gz IHVYWDMRUMVVLD-VQTJNVASSA-N 0 0 379.508 3.609 10 0 GHAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000119641143 841159158 /nfs/dbraw/zinc/15/91/58/841159158.db2.gz BPKXMYZHEHXZCH-UGSOOPFHSA-N 0 0 377.282 3.698 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@H]1Cc1ccccc1)CC2 ZINC000332863310 844614372 /nfs/dbraw/zinc/61/43/72/844614372.db2.gz QRIAQOXQASQLDN-OALUTQOASA-N 0 0 381.524 3.523 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000120150730 841435576 /nfs/dbraw/zinc/43/55/76/841435576.db2.gz BOFOYBYRBSYAHN-JKSUJKDBSA-N 0 0 381.929 3.934 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408175393 841742852 /nfs/dbraw/zinc/74/28/52/841742852.db2.gz YXSKJBUHRNWXHL-KZNAEPCWSA-N 0 0 395.341 3.983 10 0 GHAERN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000588424252 841995578 /nfs/dbraw/zinc/99/55/78/841995578.db2.gz FIUMYCCQNWYBOR-YLBKJFSISA-N 0 0 380.897 3.739 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000408186971 842040949 /nfs/dbraw/zinc/04/09/49/842040949.db2.gz KDOUHMCZYIKYNC-ONENECBXSA-N 0 0 383.300 3.960 10 0 GHAERN C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328809602 842049985 /nfs/dbraw/zinc/04/99/85/842049985.db2.gz DLPBLYHWXUZMHP-INIZCTEOSA-N 0 0 377.488 3.912 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000588426959 842095789 /nfs/dbraw/zinc/09/57/89/842095789.db2.gz YJHYJBHZAQNMAI-BAQGIRSFSA-N 0 0 386.814 3.686 10 0 GHAERN C[C@@H]1CCCN1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000408290555 842097342 /nfs/dbraw/zinc/09/73/42/842097342.db2.gz QDGLJBBIBWYEIF-DYVFJYSZSA-N 0 0 394.928 3.596 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000246584063 842274928 /nfs/dbraw/zinc/27/49/28/842274928.db2.gz BCGIPFZLHIBNIQ-VNQPRFMTSA-N 0 0 391.302 3.672 10 0 GHAERN COc1cccc(C2(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)CCCC2)c1 ZINC000588434087 842455523 /nfs/dbraw/zinc/45/55/23/842455523.db2.gz UJQRWJXCWMCTCG-FPLPWBNLSA-N 0 0 388.508 3.704 10 0 GHAERN Cc1ccccc1[C@@H](NC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1)C(C)C ZINC000153107220 842503102 /nfs/dbraw/zinc/50/31/02/842503102.db2.gz DLWAVJFPKAYOIS-NQIIRXRSSA-N 0 0 381.524 3.793 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)COc1cc(Cl)ccc1Cl ZINC000588434822 842517042 /nfs/dbraw/zinc/51/70/42/842517042.db2.gz ZZDILMWXHIJVPP-PLNGDYQASA-N 0 0 389.279 3.569 10 0 GHAERN CCOc1cc2c(cc1CN1C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C1=O)O[C@H](C)C2 ZINC000329368973 861336500 /nfs/dbraw/zinc/33/65/00/861336500.db2.gz LKVBRUMOBZQLHD-BODMPHMZSA-N 0 0 384.476 3.504 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)cc1F ZINC000588439121 842736280 /nfs/dbraw/zinc/73/62/80/842736280.db2.gz FGUZTOLORBRCOM-LCYFTJDESA-N 0 0 377.437 3.588 10 0 GHAERN Cc1nnc(-c2ccccc2C)n1-c1ccc(OC(=O)/C=C\c2ccncn2)cc1 ZINC000588440617 842750588 /nfs/dbraw/zinc/75/05/88/842750588.db2.gz RHOCYOXZBFQMRF-GHXNOFRVSA-N 0 0 397.438 3.960 10 0 GHAERN COc1cccc(-c2nc(C)c(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)[nH]2)c1 ZINC000161886331 843158324 /nfs/dbraw/zinc/15/83/24/843158324.db2.gz VGPHVVZQSJJUJP-SFHVURJKSA-N 0 0 381.432 3.509 10 0 GHAERN CC(=O)N[C@@H]1CCCN(C(=O)Nc2cc(Cl)c(C)cc2Br)C1 ZINC000122704671 843216698 /nfs/dbraw/zinc/21/66/98/843216698.db2.gz MOOUDUDUUBKNSF-LLVKDONJSA-N 0 0 388.693 3.543 10 0 GHAERN COc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1NC(C)=O ZINC000162594502 843281742 /nfs/dbraw/zinc/28/17/42/843281742.db2.gz NLVBUTSOAWZYCZ-RNODOKPDSA-N 0 0 379.464 3.520 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 ZINC000162609404 843285741 /nfs/dbraw/zinc/28/57/41/843285741.db2.gz YLDZROWGLPRCAS-UHFFFAOYSA-N 0 0 398.507 3.701 10 0 GHAERN Cc1cc2[nH]c(C(=O)N3CCCN(C(=O)c4cccs4)CC3)cc2c(C)c1 ZINC000112307480 843352239 /nfs/dbraw/zinc/35/22/39/843352239.db2.gz HMXFYNXOPGVQND-UHFFFAOYSA-N 0 0 381.501 3.835 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(c1cccc(O)c1)S(=O)(=O)c1ccccc1 ZINC000588456279 843367590 /nfs/dbraw/zinc/36/75/90/843367590.db2.gz CHMVCPGTOAJVLB-SEYXRHQNSA-N 0 0 394.452 3.531 10 0 GHAERN Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(F)c([O-])c(Cl)c3)C1)CCCC2 ZINC000279825594 843408259 /nfs/dbraw/zinc/40/82/59/843408259.db2.gz QSOFWHOOGUWDTO-ZDUSSCGKSA-N 0 0 377.847 3.656 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cncc(Br)c2)o1 ZINC000408235586 843495044 /nfs/dbraw/zinc/49/50/44/843495044.db2.gz JHJKVDHPCPAZCO-AWEZNQCLSA-N 0 0 385.283 3.661 10 0 GHAERN Cc1ccc(F)c(NC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000408258411 843616943 /nfs/dbraw/zinc/61/69/43/843616943.db2.gz WOERXHOHKYCADF-UHFFFAOYSA-N 0 0 376.476 3.762 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408259575 843621121 /nfs/dbraw/zinc/62/11/21/843621121.db2.gz NKAGUCGPMBVOSR-FQEVSTJZSA-N 0 0 391.899 3.795 10 0 GHAERN CC(C)(C)c1nc2ccc(NC(=O)N3CCC[C@@]4(CNC(=O)C4)C3)cc2s1 ZINC000408260143 843627810 /nfs/dbraw/zinc/62/78/10/843627810.db2.gz SQYBXUFQFVKCIS-HXUWFJFHSA-N 0 0 386.521 3.728 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@H]3CCC[C@H]32)nn1-c1cccc(C(F)(F)F)c1 ZINC000330308328 843647295 /nfs/dbraw/zinc/64/72/95/843647295.db2.gz MGKQFACRQZDKTC-CZUORRHYSA-N 0 0 391.393 3.574 10 0 GHAERN CCN(CC)C(=O)N1CCC(c2nc(CO[C@H]3CCCC[C@@H]3C)no2)CC1 ZINC000329451508 861456723 /nfs/dbraw/zinc/45/67/23/861456723.db2.gz CSYRVIYEKPXSAQ-RDJZCZTQSA-N 0 0 378.517 3.806 10 0 GHAERN C[C@@H](NC(=O)C1CCC(NC(=O)C2CC2)CC1)c1cccc(Br)c1 ZINC000332940140 844667217 /nfs/dbraw/zinc/66/72/17/844667217.db2.gz HNHVNVVEIQCVHW-RFSCMCKOSA-N 0 0 393.325 3.711 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000246306720 844671409 /nfs/dbraw/zinc/67/14/09/844671409.db2.gz FUILRWXYPPNIRQ-QIJZPMMNSA-N 0 0 386.536 3.554 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cn1 ZINC000151531661 845240881 /nfs/dbraw/zinc/24/08/81/845240881.db2.gz KZYGMGRUYQQJIJ-UHFFFAOYSA-N 0 0 386.427 3.502 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)C1 ZINC000248962675 845481461 /nfs/dbraw/zinc/48/14/61/845481461.db2.gz MZXURNJIGAAJKJ-URFZZILJSA-N 0 0 394.475 3.586 10 0 GHAERN CCCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1OC ZINC000248981983 845485171 /nfs/dbraw/zinc/48/51/71/845485171.db2.gz SUQRCCGLYLUFTB-SJORKVTESA-N 0 0 375.469 3.528 10 0 GHAERN Cc1cc(N2CCC[C@@H](NC(=O)N3CCCC[C@H]3c3ccc(C)o3)C2)n(C)n1 ZINC000408446270 845488825 /nfs/dbraw/zinc/48/88/25/845488825.db2.gz JCTMPVPERVKVJA-MSOLQXFVSA-N 0 0 385.512 3.536 10 0 GHAERN COCCOc1cc(C)ccc1CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000151731390 845616971 /nfs/dbraw/zinc/61/69/71/845616971.db2.gz AFTRVNXOQFIRJC-KRWDZBQOSA-N 0 0 389.521 3.566 10 0 GHAERN Cc1sc2nc(CCC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)[nH]c(=O)c2c1C ZINC000333513948 845661722 /nfs/dbraw/zinc/66/17/22/845661722.db2.gz MNMINKBGFMEZLN-BQLSAVKESA-N 0 0 385.533 3.841 10 0 GHAERN CCOC(=O)C[C@@H](OC(=O)/C=C\c1scnc1C)c1ccc(F)c(F)c1 ZINC000588522406 847354364 /nfs/dbraw/zinc/35/43/64/847354364.db2.gz GTMFMTZVQCTHGM-IDTUSYRASA-N 0 0 381.400 3.981 10 0 GHAERN COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3c3nc(C)cs3)CC2=O)cc1 ZINC000329079794 847623076 /nfs/dbraw/zinc/62/30/76/847623076.db2.gz CEUDSNFUZGHOJH-QAPCUYQASA-N 0 0 399.516 3.567 10 0 GHAERN Cc1ccc(-c2cc(C(=O)NCC=CCNC(=O)OC(C)(C)C)[nH]n2)c(C)c1 ZINC000588528772 847677009 /nfs/dbraw/zinc/67/70/09/847677009.db2.gz AJLHKJHMXDECGV-SREVYHEPSA-N 0 0 384.480 3.504 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000152783098 847743321 /nfs/dbraw/zinc/74/33/21/847743321.db2.gz HOGIZNVOZOOGMZ-VAWYXSNFSA-N 0 0 399.494 3.917 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(c3nc(-c4ccccn4)nc4c3CCC4)C2)no1 ZINC000329632083 861852052 /nfs/dbraw/zinc/85/20/52/861852052.db2.gz IKJKAEBJXPZQJX-OAHLLOKOSA-N 0 0 390.491 3.918 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329638904 861861184 /nfs/dbraw/zinc/86/11/84/861861184.db2.gz AYAXHJGDZNMZQV-CJNGLKHVSA-N 0 0 398.488 3.806 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@H]2c2cccc(C)n2)cc(OC)c1OC ZINC000167268140 861932985 /nfs/dbraw/zinc/93/29/85/861932985.db2.gz SQPAMXGOQWPOKQ-ZGKFYVQTSA-N 0 0 382.460 3.793 10 0 GHAERN Cc1cc(C)c(N2CC[C@H](NC(=O)/C=C\SCc3ccco3)C2=O)c(C)c1 ZINC000588569390 849375334 /nfs/dbraw/zinc/37/53/34/849375334.db2.gz IYLBFWRZFFGOIQ-VOCYLRNQSA-N 0 0 384.501 3.873 10 0 GHAERN COc1cc(N)c(Cl)cc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000155127124 849458770 /nfs/dbraw/zinc/45/87/70/849458770.db2.gz SRLCBVREJKLOFS-UHFFFAOYSA-N 0 0 389.814 3.697 10 0 GHAERN Cc1noc([C@H]2COCCN2C(=O)/C=C/c2cccc(-c3ccccc3)c2)n1 ZINC000155419497 849525918 /nfs/dbraw/zinc/52/59/18/849525918.db2.gz UCBDPWHMKRAVOC-CTDFXDFQSA-N 0 0 375.428 3.658 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155607684 849580881 /nfs/dbraw/zinc/58/08/81/849580881.db2.gz BOOOETXFQKUAHZ-KRWDZBQOSA-N 0 0 387.553 3.523 10 0 GHAERN COc1ccc2cccc(CC(=O)NC3CCN(c4ccc(C)cn4)CC3)c2c1 ZINC000155927538 849700523 /nfs/dbraw/zinc/70/05/23/849700523.db2.gz LOTDDMKETREOJY-UHFFFAOYSA-N 0 0 389.499 3.880 10 0 GHAERN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NC1CCCCC1 ZINC000003564056 851023768 /nfs/dbraw/zinc/02/37/68/851023768.db2.gz HXTXWJVNRAWJAE-UHFFFAOYSA-N 0 0 383.420 3.879 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCN1c1nccs1 ZINC000120409570 851600463 /nfs/dbraw/zinc/60/04/63/851600463.db2.gz MELOIQRVNGNJIP-OWCLPIDISA-N 0 0 395.887 3.551 10 0 GHAERN Cc1ccc(CC(=O)N2CCN(Cc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000101562593 851663602 /nfs/dbraw/zinc/66/36/02/851663602.db2.gz QMJZXSIXRBAGTK-UHFFFAOYSA-N 0 0 393.462 3.676 10 0 GHAERN O=C(CSCc1coc(-c2cccc(F)c2)n1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000101584993 851693253 /nfs/dbraw/zinc/69/32/53/851693253.db2.gz PAIBQQOWRLKOAA-ROUUACIJSA-N 0 0 390.480 3.884 10 0 GHAERN Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000333871646 851883560 /nfs/dbraw/zinc/88/35/60/851883560.db2.gz UQQMIRQDEKPSGN-JONQDZQNSA-N 0 0 390.281 3.639 10 0 GHAERN Brc1cccc([C@@H]2C[C@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000333871648 851883770 /nfs/dbraw/zinc/88/37/70/851883770.db2.gz UQQMIRQDEKPSGN-QXSJWSMHSA-N 0 0 390.281 3.639 10 0 GHAERN O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000171241883 852222097 /nfs/dbraw/zinc/22/20/97/852222097.db2.gz ZMJLHZGADSMFDX-VHSXEESVSA-N 0 0 399.818 3.511 10 0 GHAERN O=C(Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1)N1CCc2ccccc21 ZINC000329939498 862440548 /nfs/dbraw/zinc/44/05/48/862440548.db2.gz TXBAAXILUMMODO-WIYYLYMNSA-N 0 0 375.472 3.835 10 0 GHAERN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000334015644 853322655 /nfs/dbraw/zinc/32/26/55/853322655.db2.gz YPEVETSAHYTFLM-XYJFISCASA-N 0 0 380.419 3.867 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328736057 854520996 /nfs/dbraw/zinc/52/09/96/854520996.db2.gz ZJCAMLIAQODBBW-ZQDYSYBYSA-N 0 0 395.478 3.845 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000328737581 854521878 /nfs/dbraw/zinc/52/18/78/854521878.db2.gz LTWOJJALVPHGJY-XHSDSOJGSA-N 0 0 378.398 3.989 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3N3CCCC3)C2)cc1C ZINC000330111401 862582146 /nfs/dbraw/zinc/58/21/46/862582146.db2.gz RFCBTFCTHFOSTO-IBGZPJMESA-N 0 0 380.492 3.984 10 0 GHAERN CC(C)[C@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000330168061 862630694 /nfs/dbraw/zinc/63/06/94/862630694.db2.gz ZQBLMQKMKHDHLY-ISJRUSPKSA-N 0 0 395.503 3.678 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711261 855135920 /nfs/dbraw/zinc/13/59/20/855135920.db2.gz DMRQIYLGASRTFX-QYOLQKOISA-N 0 0 393.852 3.567 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccc(C)c3)CCCCC2)C1 ZINC000190022367 855407892 /nfs/dbraw/zinc/40/78/92/855407892.db2.gz SBNCZKZZWPADNL-RTBURBONSA-N 0 0 383.492 3.877 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000183815388 855878578 /nfs/dbraw/zinc/87/85/78/855878578.db2.gz ZIDJOXNQNNKQPD-FZMZJTMJSA-N 0 0 398.433 3.783 10 0 GHAERN C[C@H](NC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccc(Cl)cc1 ZINC000103298337 856115492 /nfs/dbraw/zinc/11/54/92/856115492.db2.gz MXDMJSXPENSAHP-ZDUSSCGKSA-N 0 0 397.857 3.520 10 0 GHAERN CC1(C)C[C@H](N2C(=O)N[C@@H](c3ccc4c(c3)CCO4)C2=O)c2ccccc2O1 ZINC000330299095 862760707 /nfs/dbraw/zinc/76/07/07/862760707.db2.gz MCGIHNZJXSUGMY-LPHOPBHVSA-N 0 0 378.428 3.721 10 0 GHAERN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000061546930 857529200 /nfs/dbraw/zinc/52/92/00/857529200.db2.gz DDJVITBIDTWPNN-INIZCTEOSA-N 0 0 392.927 3.749 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H](Cn2ccnn2)C1 ZINC000131372620 857734618 /nfs/dbraw/zinc/73/46/18/857734618.db2.gz COYSVGUSLPMCCI-HKUYNNGSSA-N 0 0 395.507 3.536 10 0 GHAERN O=C(CCc1nc(-c2ccncc2)no1)Nc1ccnn1-c1cccc(Cl)c1 ZINC000103034315 862959597 /nfs/dbraw/zinc/95/95/97/862959597.db2.gz SEXDRGUMLURZLJ-UHFFFAOYSA-N 0 0 394.822 3.542 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@H](C)[C@H]1c1cccc(F)c1)CC2 ZINC000181744882 862995161 /nfs/dbraw/zinc/99/51/61/862995161.db2.gz UEDXHXNELLZDBN-BJZITVGISA-N 0 0 385.487 3.648 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000172555953 858234156 /nfs/dbraw/zinc/23/41/56/858234156.db2.gz PTFSWPORRGAJAR-AZUAARDMSA-N 0 0 381.524 3.947 10 0 GHAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129925206 858338508 /nfs/dbraw/zinc/33/85/08/858338508.db2.gz UMIICQPTFFBENR-GDBMZVCRSA-N 0 0 384.501 3.819 10 0 GHAERN Cc1cccnc1CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113616964 858587801 /nfs/dbraw/zinc/58/78/01/858587801.db2.gz IGBSEJBZYNCLPZ-GOSISDBHSA-N 0 0 375.476 3.869 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1ccc(OC3CCCCC3)cc1)CC2 ZINC000133637324 858814924 /nfs/dbraw/zinc/81/49/24/858814924.db2.gz VBPSYYZZBLKKKP-KRWDZBQOSA-N 0 0 382.508 3.858 10 0 GHAERN COc1ccc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)o1 ZINC000012203883 859302344 /nfs/dbraw/zinc/30/23/44/859302344.db2.gz CXNUJLDWRFQPIX-NRFANRHFSA-N 0 0 390.430 3.695 10 0 GHAERN C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)NC1=O ZINC000130134294 859452332 /nfs/dbraw/zinc/45/23/32/859452332.db2.gz YDFDUVDINSANPE-KSSFIOAISA-N 0 0 392.455 3.972 10 0 GHAERN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000011001771 860048702 /nfs/dbraw/zinc/04/87/02/860048702.db2.gz RGRKVIXINFNXNY-LBPRGKRZSA-N 0 0 378.259 3.879 10 0 GHAERN COc1ccccc1CC1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000102410574 860262891 /nfs/dbraw/zinc/26/28/91/860262891.db2.gz DTCIWBXDFIZCQK-INIZCTEOSA-N 0 0 377.488 3.947 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cc2c(s1)CCCCC2 ZINC000026153401 860419136 /nfs/dbraw/zinc/41/91/36/860419136.db2.gz PYCTXTVGKPXYNW-HNNXBMFYSA-N 0 0 375.515 3.666 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)C(C)(C)c3ccc4c(c3)OCCO4)C2)n1 ZINC000173067000 860435957 /nfs/dbraw/zinc/43/59/57/860435957.db2.gz VCRJSVHTGYALLR-OAHLLOKOSA-N 0 0 386.517 3.907 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)C2)n1 ZINC000173063304 860436086 /nfs/dbraw/zinc/43/60/86/860436086.db2.gz QHXVNTRIWYKKAC-FUHWJXTLSA-N 0 0 399.516 3.589 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)C2)n1 ZINC000173070581 860436153 /nfs/dbraw/zinc/43/61/53/860436153.db2.gz CYJULYLSGBQJOX-UYAOXDASSA-N 0 0 397.544 3.911 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2noc(C(C)C)n2)ccc1OC(C)C ZINC000173822692 860443536 /nfs/dbraw/zinc/44/35/36/860443536.db2.gz XXAURMSYMXVUEB-INIZCTEOSA-N 0 0 393.509 3.814 10 0 GHAERN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(OC(F)F)cc1 ZINC000102928888 860904879 /nfs/dbraw/zinc/90/48/79/860904879.db2.gz BSSRUYWYSYUFCN-MRXNPFEDSA-N 0 0 390.386 3.792 10 0 GHAERN CCN(Cc1nc2cc(F)ccc2n1CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932204 860908180 /nfs/dbraw/zinc/90/81/80/860908180.db2.gz NIHFREZTZQRGCN-UHFFFAOYSA-N 0 0 382.483 3.919 10 0 GHAERN Fc1ccc(-c2nc(CSc3nnnn3Cc3ccccc3)co2)cc1F ZINC000102972016 860925330 /nfs/dbraw/zinc/92/53/30/860925330.db2.gz ODOGWWIDFVDIII-UHFFFAOYSA-N 0 0 385.399 3.947 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000329020979 860951744 /nfs/dbraw/zinc/95/17/44/860951744.db2.gz HWAGLQAPMUMJJZ-XEZPLFJOSA-N 0 0 377.847 3.523 10 0 GHAERN C1CC1c1nnc2n1CCN(c1nc(C3CC3)nc3sc4c(c31)CCCC4)C2 ZINC000329197926 861127956 /nfs/dbraw/zinc/12/79/56/861127956.db2.gz WKYJBANCESDVDQ-UHFFFAOYSA-N 0 0 392.532 3.937 10 0 GHAERN CN(C(=O)CN1C(=O)CSc2ccccc21)[C@H](c1ccccc1)C(F)(F)F ZINC000103050548 863848376 /nfs/dbraw/zinc/84/83/76/863848376.db2.gz SCEPQKDGMNAJRT-GOSISDBHSA-N 0 0 394.418 3.887 10 0 GHAERN Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H](c3ccccc3)c3ccncc3)C2=O)c1 ZINC000103086513 863890792 /nfs/dbraw/zinc/89/07/92/863890792.db2.gz BPZNCTBBMPMBBA-PKTZIBPZSA-N 0 0 399.494 3.957 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103235848 863918411 /nfs/dbraw/zinc/91/84/11/863918411.db2.gz CPQJNUYMMFXYGB-UHFFFAOYSA-N 0 0 384.867 3.854 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccccc3S(=O)(=O)C(C)C)c21 ZINC000103128517 863926394 /nfs/dbraw/zinc/92/63/94/863926394.db2.gz ALDMLUVVZHVIPO-UHFFFAOYSA-N 0 0 384.501 3.631 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C(C)(C)c3ccc4c(c3)OCCO4)c21 ZINC000103128216 863926412 /nfs/dbraw/zinc/92/64/12/863926412.db2.gz BLTQZBQVPRWGTG-UHFFFAOYSA-N 0 0 378.472 3.884 10 0 GHAERN Cc1cc2nc(C)c(CCC(=O)NCCc3c[nH]c4cccc(C)c34)c(C)n2n1 ZINC000103129369 863927302 /nfs/dbraw/zinc/92/73/02/863927302.db2.gz YJURAWIQLUEVSR-UHFFFAOYSA-N 0 0 389.503 3.736 10 0 GHAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103313092 863953493 /nfs/dbraw/zinc/95/34/93/863953493.db2.gz AYQUEPPCLVLGNP-QFIPXVFZSA-N 0 0 394.519 3.557 10 0 GHAERN COc1ccccc1SC[C@H](C)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000103421787 863978764 /nfs/dbraw/zinc/97/87/64/863978764.db2.gz PHFPZEWXHGAYLQ-CQSZACIVSA-N 0 0 391.537 3.853 10 0 GHAERN C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)c1nccn1-c1cccc(Cl)c1 ZINC000103622848 864024575 /nfs/dbraw/zinc/02/45/75/864024575.db2.gz OGYDNHHPOZDHMT-LLVKDONJSA-N 0 0 394.884 3.741 10 0 GHAERN Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483543 864026457 /nfs/dbraw/zinc/02/64/57/864026457.db2.gz ICHVLWWWPWWMGV-NFBKMPQASA-N 0 0 399.556 3.955 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103507732 864043496 /nfs/dbraw/zinc/04/34/96/864043496.db2.gz WIWOKFJQGNGCNW-HXUWFJFHSA-N 0 0 396.878 3.809 10 0 GHAERN CC[C@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc(Cl)c1 ZINC000103749889 864080915 /nfs/dbraw/zinc/08/09/15/864080915.db2.gz RWVQXRIOSCQGAG-INIZCTEOSA-N 0 0 376.247 3.850 10 0 GHAERN COc1ccc([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016005 865086032 /nfs/dbraw/zinc/08/60/32/865086032.db2.gz VAVKJNDMBIOICI-LPHOPBHVSA-N 0 0 394.523 3.841 10 0 GHAERN CC(C)(C)n1ncc2c1nc(N1CCC[C@H](COc3ccccc3)C1)[nH]c2=O ZINC000301275573 865259902 /nfs/dbraw/zinc/25/99/02/865259902.db2.gz IRASSQDXKZRQPW-HNNXBMFYSA-N 0 0 381.480 3.582 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCc4c(nc(C(C)C)n4C)C3)cc2)n1 ZINC000112669598 866734391 /nfs/dbraw/zinc/73/43/91/866734391.db2.gz YIFTUFKNRDGFQL-UHFFFAOYSA-N 0 0 391.519 3.604 10 0 GHAERN CN(C(=O)CSCC(=O)N1CCCC[C@@H]1c1nccs1)C1CCCCC1 ZINC000115366227 866780941 /nfs/dbraw/zinc/78/09/41/866780941.db2.gz WXIUBBUUTKGQAZ-MRXNPFEDSA-N 0 0 395.594 3.721 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H](n2cncn2)C1 ZINC000173587126 866786554 /nfs/dbraw/zinc/78/65/54/866786554.db2.gz ISGBHXXQZAXVSE-ZFWWWQNUSA-N 0 0 377.901 3.515 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@@H](n2cncn2)C1 ZINC000173587154 866786800 /nfs/dbraw/zinc/78/68/00/866786800.db2.gz ISGBHXXQZAXVSE-HIFRSBDPSA-N 0 0 377.901 3.515 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000170632641 882042915 /nfs/dbraw/zinc/04/29/15/882042915.db2.gz SOESMZAVQQWQRC-INIZCTEOSA-N 0 0 391.431 3.619 10 0 GHAERN O=C(C=Cc1ccc(OCc2ccccn2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170671328 882046036 /nfs/dbraw/zinc/04/60/36/882046036.db2.gz HKZUFBFTCXLPOF-UFUQCMIWSA-N 0 0 388.471 3.803 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1F ZINC000151452443 867514559 /nfs/dbraw/zinc/51/45/59/867514559.db2.gz QDEGLQNNMLRNDV-WBVHZDCISA-N 0 0 389.515 3.875 10 0 GHAERN O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000171643692 882119657 /nfs/dbraw/zinc/11/96/57/882119657.db2.gz FFOKNYNAZRZNCQ-JEJOPICUSA-N 0 0 381.501 3.689 10 0 GHAERN CCn1cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000171812020 882162618 /nfs/dbraw/zinc/16/26/18/882162618.db2.gz XAIFQTRMPOOAEV-UHFFFAOYSA-N 0 0 381.501 3.711 10 0 GHAERN O=C(c1ccc(-c2ccccc2)[nH]1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171812256 882162911 /nfs/dbraw/zinc/16/29/11/882162911.db2.gz YLSBEGFBHQZQFM-UHFFFAOYSA-N 0 0 379.485 3.732 10 0 GHAERN Cc1cccnc1[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000172082852 882167396 /nfs/dbraw/zinc/16/73/96/882167396.db2.gz ISRMDVGLBVWHHR-FQEVSTJZSA-N 0 0 397.494 3.895 10 0 GHAERN CCOc1ccc(NC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1OC ZINC000172100153 882168656 /nfs/dbraw/zinc/16/86/56/882168656.db2.gz LTDRAGPNEZVULM-UHFFFAOYSA-N 0 0 384.480 3.588 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1CCc2ccccc2C1 ZINC000172139886 882171940 /nfs/dbraw/zinc/17/19/40/882171940.db2.gz BYKLFUQRGLORAF-JOCHJYFZSA-N 0 0 394.490 3.694 10 0 GHAERN Cc1ccccc1-n1nccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172010381 882182906 /nfs/dbraw/zinc/18/29/06/882182906.db2.gz WHZRPUOOIUTCMB-UHFFFAOYSA-N 0 0 394.500 3.733 10 0 GHAERN CCOC(=O)Cc1csc(NC(=O)N2CC=C(c3cccs3)CC2)n1 ZINC000172221104 882188635 /nfs/dbraw/zinc/18/86/35/882188635.db2.gz RIBCDVIVRPSATC-UHFFFAOYSA-N 0 0 377.491 3.631 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(C(F)(F)F)nc3C)CC2)n1 ZINC000172249657 882191361 /nfs/dbraw/zinc/19/13/61/882191361.db2.gz GWAHKOFXGIYEHD-UHFFFAOYSA-N 0 0 378.398 3.511 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C12CCOCC2 ZINC000248734213 882269179 /nfs/dbraw/zinc/26/91/79/882269179.db2.gz QOMBIXUMFHTMDZ-QXAKKESOSA-N 0 0 388.508 3.562 10 0 GHAERN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCc1cccnc1-n1cncn1 ZINC000172695650 882284985 /nfs/dbraw/zinc/28/49/85/882284985.db2.gz BGYIUIIOJGVFHE-KRWDZBQOSA-N 0 0 390.491 3.735 10 0 GHAERN CC(C)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000172548664 882293759 /nfs/dbraw/zinc/29/37/59/882293759.db2.gz LCPQBVULKSVSGP-UHFFFAOYSA-N 0 0 386.442 3.869 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)ccc1NC(=O)c1ccco1 ZINC000172476966 882288110 /nfs/dbraw/zinc/28/81/10/882288110.db2.gz MAAVCRORXBGSSS-QUCCMNQESA-N 0 0 391.427 3.620 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000172506381 882291863 /nfs/dbraw/zinc/29/18/63/882291863.db2.gz FIOXDCUVEFRNFQ-QGZVFWFLSA-N 0 0 396.834 3.596 10 0 GHAERN Cc1cc(C)cc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000172577877 882296948 /nfs/dbraw/zinc/29/69/48/882296948.db2.gz HODGMGPKKGFFJO-UHFFFAOYSA-N 0 0 382.479 3.654 10 0 GHAERN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172752087 882306344 /nfs/dbraw/zinc/30/63/44/882306344.db2.gz IAUDNLPMVHZUIX-OAHLLOKOSA-N 0 0 385.895 3.807 10 0 GHAERN CC[C@@H]1CCc2nc(NC(=O)C3CCN(C(=O)c4ccccn4)CC3)sc2C1 ZINC000172834501 882312806 /nfs/dbraw/zinc/31/28/06/882312806.db2.gz LCJFXQKSUBKJTK-CQSZACIVSA-N 0 0 398.532 3.544 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000172852639 882314446 /nfs/dbraw/zinc/31/44/46/882314446.db2.gz VHSLYPYEERTYLI-QFIPXVFZSA-N 0 0 389.499 3.612 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(C)cc3)CC2)n1 ZINC000172996367 882330770 /nfs/dbraw/zinc/33/07/70/882330770.db2.gz YYGYMODNYFQSAO-IBGZPJMESA-N 0 0 397.544 3.657 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NCC(C)(C)c3ccncc3)C2)c1 ZINC000092363542 882338400 /nfs/dbraw/zinc/33/84/00/882338400.db2.gz SUQQATZOFWYGOO-MRXNPFEDSA-N 0 0 383.492 3.576 10 0 GHAERN CC(C)(NC(=O)Nc1ccccc1)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000173265329 882344433 /nfs/dbraw/zinc/34/44/33/882344433.db2.gz QJRHPZSQHCOWRR-UHFFFAOYSA-N 0 0 398.482 3.829 10 0 GHAERN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1=O ZINC000153131973 869849390 /nfs/dbraw/zinc/84/93/90/869849390.db2.gz HOTXBFGDAPHOAA-WMZOPIPTSA-N 0 0 387.483 3.662 10 0 GHAERN C[C@@H](CCc1ccccc1F)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000173364477 882356148 /nfs/dbraw/zinc/35/61/48/882356148.db2.gz OQATUFXDTQHBNM-INIZCTEOSA-N 0 0 388.508 3.831 10 0 GHAERN CCC(CC)c1cc(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)on1 ZINC000173378146 882358039 /nfs/dbraw/zinc/35/80/39/882358039.db2.gz PDPVLGMPECHJEA-UHFFFAOYSA-N 0 0 385.512 3.750 10 0 GHAERN Cc1c(NCc2ncc(-c3ccccc3Cl)o2)cccc1C(=O)NCCO ZINC000173476331 882363198 /nfs/dbraw/zinc/36/31/98/882363198.db2.gz SLSQMQCFAJGDLI-UHFFFAOYSA-N 0 0 385.851 3.638 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187001932 870245014 /nfs/dbraw/zinc/24/50/14/870245014.db2.gz TUNKIJANJSFXBU-ZUOKHONESA-N 0 0 391.418 3.995 10 0 GHAERN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000187660356 870258289 /nfs/dbraw/zinc/25/82/89/870258289.db2.gz MDTSWCZYWNHJTI-MOPGFXCFSA-N 0 0 392.927 3.512 10 0 GHAERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000173805321 882406869 /nfs/dbraw/zinc/40/68/69/882406869.db2.gz DKVZGWSYMSLEHJ-UUKMXZOPSA-N 0 0 397.523 3.537 10 0 GHAERN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c12 ZINC000046489420 870434116 /nfs/dbraw/zinc/43/41/16/870434116.db2.gz HYTVPOOTXJESAE-PMACEKPBSA-N 0 0 390.487 3.727 10 0 GHAERN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000193592822 870485657 /nfs/dbraw/zinc/48/56/57/870485657.db2.gz CMALKBKCTFIWEK-DLBZAZTESA-N 0 0 390.480 3.953 10 0 GHAERN CCC(CC)c1cc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)on1 ZINC000174042141 882416700 /nfs/dbraw/zinc/41/67/00/882416700.db2.gz HINFTPQCPBKBAY-LJQANCHMSA-N 0 0 384.480 3.891 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000174068373 882421130 /nfs/dbraw/zinc/42/11/30/882421130.db2.gz RNJGODBGDCFWTR-ZWKOTPCHSA-N 0 0 396.462 3.804 10 0 GHAERN COC(=O)c1ccc(CCC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174076191 882422382 /nfs/dbraw/zinc/42/23/82/882422382.db2.gz ORQHDQTVUIVLLT-UHFFFAOYSA-N 0 0 384.451 3.648 10 0 GHAERN O=C(c1ccccc1)N1CCC[C@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174080828 882422801 /nfs/dbraw/zinc/42/28/01/882422801.db2.gz OWZYEJYCPYQDKZ-NRFANRHFSA-N 0 0 395.478 3.533 10 0 GHAERN CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174087098 882423639 /nfs/dbraw/zinc/42/36/39/882423639.db2.gz ONSKDICWJAECRS-UHFFFAOYSA-N 0 0 379.476 3.532 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114823085 870709421 /nfs/dbraw/zinc/70/94/21/870709421.db2.gz LKYGJKCRRAVZBC-MRXNPFEDSA-N 0 0 386.521 3.971 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174267244 882441851 /nfs/dbraw/zinc/44/18/51/882441851.db2.gz AVVBTVVDENYTDI-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@H](c2ccncc2)c2ccc(F)cc2)C1 ZINC000102968151 870867675 /nfs/dbraw/zinc/86/76/75/870867675.db2.gz PQXAFBFGPUBHJP-NQIIRXRSSA-N 0 0 384.451 3.892 10 0 GHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000174375832 882459792 /nfs/dbraw/zinc/45/97/92/882459792.db2.gz ZKBLRMYHLJBQJP-RBUKOAKNSA-N 0 0 392.540 3.811 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)c1 ZINC000103045098 871138848 /nfs/dbraw/zinc/13/88/48/871138848.db2.gz RVZDFAORHOSHNU-YWZLYKJASA-N 0 0 392.455 3.736 10 0 GHAERN Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3cccs3)CC1)C[C@@H](C)O2 ZINC000175051769 882518531 /nfs/dbraw/zinc/51/85/31/882518531.db2.gz QUAQBHVERHHOOY-OAHLLOKOSA-N 0 0 384.501 3.723 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1C(=O)c1ncncc1Cl ZINC000175135525 882528325 /nfs/dbraw/zinc/52/83/25/882528325.db2.gz PMVLLAIZQYMECX-ZDUSSCGKSA-N 0 0 399.665 3.680 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3cccc(NC(=O)C4CC4)c3)CC2)nc1 ZINC000174831279 882530989 /nfs/dbraw/zinc/53/09/89/882530989.db2.gz XCKAVLRLLYYXBB-UHFFFAOYSA-N 0 0 393.491 3.529 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000174858482 882532632 /nfs/dbraw/zinc/53/26/32/882532632.db2.gz WNZHDENZYVNPHF-FCHUYYIVSA-N 0 0 392.499 3.537 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2)o1 ZINC000175354783 882545428 /nfs/dbraw/zinc/54/54/28/882545428.db2.gz KLCJHENYPSEKHK-MRXNPFEDSA-N 0 0 394.456 3.741 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(C(=O)c4ccccc4)CC3)nc21 ZINC000175204869 882557865 /nfs/dbraw/zinc/55/78/65/882557865.db2.gz WSNQJUZCHNQCRK-UHFFFAOYSA-N 0 0 375.472 3.925 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)NC3CCN(c4ccc(C)cn4)CC3)C2)n1 ZINC000175279349 882564874 /nfs/dbraw/zinc/56/48/74/882564874.db2.gz KFEGMKFGCNTDSS-KRWDZBQOSA-N 0 0 399.564 3.713 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)NC1CCN(c3ccc(C)cn3)CC1)CCC2 ZINC000175282592 882565048 /nfs/dbraw/zinc/56/50/48/882565048.db2.gz DILHSLSVLKYQJK-SFHVURJKSA-N 0 0 399.564 3.843 10 0 GHAERN CC(C)n1c(N(C)C)nn(CN2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000103457908 872013636 /nfs/dbraw/zinc/01/36/36/872013636.db2.gz VYBAYYUTMOIODV-KRWDZBQOSA-N 0 0 377.533 3.865 10 0 GHAERN CCOc1ccccc1CCC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000101532717 872069617 /nfs/dbraw/zinc/06/96/17/872069617.db2.gz UFAYFSQIRMTQMY-UHFFFAOYSA-N 0 0 396.487 3.751 10 0 GHAERN COC[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1)c1ccco1 ZINC000175707460 882577413 /nfs/dbraw/zinc/57/74/13/882577413.db2.gz TWIHWTDZRCYHPI-PKOBYXMFSA-N 0 0 394.475 3.946 10 0 GHAERN CC(C)C[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000175460686 882582851 /nfs/dbraw/zinc/58/28/51/882582851.db2.gz PBHDINJLHLGZGO-GOSISDBHSA-N 0 0 398.898 3.902 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000101669257 872179337 /nfs/dbraw/zinc/17/93/37/872179337.db2.gz TZAQPTYEDNDSDH-CQSZACIVSA-N 0 0 387.911 3.901 10 0 GHAERN C[C@@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc2ccccc2n1C ZINC000175917863 882614959 /nfs/dbraw/zinc/61/49/59/882614959.db2.gz JVSRPSOGSWMOPQ-CQSZACIVSA-N 0 0 397.500 3.791 10 0 GHAERN O=C(Nc1ccc(-n2ccnn2)cc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175948434 882618387 /nfs/dbraw/zinc/61/83/87/882618387.db2.gz LQVSGETXRUAZDA-UHFFFAOYSA-N 0 0 380.427 3.515 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)[C@H](C)OCc3ccccc3)C2)o1 ZINC000102141870 872638745 /nfs/dbraw/zinc/63/87/45/872638745.db2.gz RMJLFZNQCSMFHD-HKUYNNGSSA-N 0 0 385.460 3.589 10 0 GHAERN Cc1csc([C@@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)C2CC2)n1 ZINC000175826270 882636470 /nfs/dbraw/zinc/63/64/70/882636470.db2.gz QGFZRMWRYQBRBH-RDJZCZTQSA-N 0 0 396.520 3.535 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCOc4ccccc43)CC2)nc1 ZINC000176172049 882642160 /nfs/dbraw/zinc/64/21/60/882642160.db2.gz MVIJEGYAGQIPFQ-LJQANCHMSA-N 0 0 380.492 3.572 10 0 GHAERN O=C(C[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1cccs1 ZINC000176208649 882647030 /nfs/dbraw/zinc/64/70/30/882647030.db2.gz KTXXRVLYZVMOFZ-GOSISDBHSA-N 0 0 396.512 3.748 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)/C=C/c3ccc4ccccc4n3)C2)c1 ZINC000102383313 872987041 /nfs/dbraw/zinc/98/70/41/872987041.db2.gz IPTIJRGCILUZNW-IENJSVCTSA-N 0 0 387.483 3.899 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)C12CCOCC2 ZINC000248736461 882675560 /nfs/dbraw/zinc/67/55/60/882675560.db2.gz QUYUNWCWEMFNAD-NMLACTOBSA-N 0 0 390.499 3.892 10 0 GHAERN COc1ccc(CCN(CC(C)C)C(=O)[C@H]2CCCn3ccnc32)cc1OC ZINC000176323837 882679221 /nfs/dbraw/zinc/67/92/21/882679221.db2.gz JUZATUMHGJTIMT-SFHVURJKSA-N 0 0 385.508 3.505 10 0 GHAERN O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ncncc1Cl ZINC000176358013 882682851 /nfs/dbraw/zinc/68/28/51/882682851.db2.gz WDXGOQHHHQKUNZ-UHFFFAOYSA-N 0 0 399.709 3.831 10 0 GHAERN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000176733865 882708713 /nfs/dbraw/zinc/70/87/13/882708713.db2.gz BYSQUKYPSWZWPJ-VFNWGFHPSA-N 0 0 395.478 3.513 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)C2)cn1 ZINC000116539854 873566022 /nfs/dbraw/zinc/56/60/22/873566022.db2.gz QUYPZDPDPGARFX-KBXCAEBGSA-N 0 0 390.434 3.598 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@H]3CCCOc4ccccc43)CC2)n1 ZINC000116952391 873797140 /nfs/dbraw/zinc/79/71/40/873797140.db2.gz KJPWXTNANOCFRG-IBGZPJMESA-N 0 0 380.492 3.572 10 0 GHAERN COc1ccc(CN(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1C ZINC000116970073 873798376 /nfs/dbraw/zinc/79/83/76/873798376.db2.gz JXHSPKRLPHQJNT-UHFFFAOYSA-N 0 0 382.508 3.517 10 0 GHAERN COCCCOc1cccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)c1 ZINC000177131707 882765699 /nfs/dbraw/zinc/76/56/99/882765699.db2.gz SGGSBSDAPGVDEP-UHFFFAOYSA-N 0 0 398.507 3.596 10 0 GHAERN O=C(c1cc(-c2ccc(F)cc2)on1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177745786 882821729 /nfs/dbraw/zinc/82/17/29/882821729.db2.gz RQYAVUHNYOIFRS-UHFFFAOYSA-N 0 0 399.466 3.736 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cn1c(-c2cccc(C)c2)n[nH]c1=S ZINC000104458764 874412024 /nfs/dbraw/zinc/41/20/24/874412024.db2.gz XOLGKAJSNYYPNB-UHFFFAOYSA-N 0 0 396.516 3.626 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NC[C@H](CCO)c1ccccc1)CCC2 ZINC000177877550 882869102 /nfs/dbraw/zinc/86/91/02/882869102.db2.gz TZKPQRWXASRZJQ-WMZOPIPTSA-N 0 0 387.549 3.891 10 0 GHAERN O=C(Nc1cccc(Oc2ccccn2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119328084 875120147 /nfs/dbraw/zinc/12/01/47/875120147.db2.gz YVZWODHAWNCXFU-LJQANCHMSA-N 0 0 376.416 3.954 10 0 GHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673462 882931030 /nfs/dbraw/zinc/93/10/30/882931030.db2.gz ICIKSWISKNKKBK-VXGBXAGGSA-N 0 0 384.427 3.642 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C)c1cccs1 ZINC000179029714 882948044 /nfs/dbraw/zinc/94/80/44/882948044.db2.gz IMKHLPIDWSGGIZ-CQSZACIVSA-N 0 0 386.452 3.587 10 0 GHAERN CC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1C ZINC000179051882 882948810 /nfs/dbraw/zinc/94/88/10/882948810.db2.gz LOARRZHGTATGGD-INIZCTEOSA-N 0 0 377.448 3.652 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179356480 882964494 /nfs/dbraw/zinc/96/44/94/882964494.db2.gz ZAAKGPLTKVZUNI-OAHLLOKOSA-N 0 0 385.855 3.800 10 0 GHAERN O=C([C@H](Oc1ccc(Cl)cc1)c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000120360631 875952126 /nfs/dbraw/zinc/95/21/26/875952126.db2.gz MCLOQCIQJNBORX-HXUWFJFHSA-N 0 0 396.878 3.915 10 0 GHAERN O=C(COC(c1ccccc1)c1ccccc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000179339987 882990664 /nfs/dbraw/zinc/99/06/64/882990664.db2.gz CHXZMRREAXNTOF-IBGZPJMESA-N 0 0 376.460 3.665 10 0 GHAERN O=C(NCc1ccccc1CN1CCCC1=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179483710 883003394 /nfs/dbraw/zinc/00/33/94/883003394.db2.gz QIGMHKCMJGYFBX-UHFFFAOYSA-N 0 0 389.459 3.521 10 0 GHAERN CCS[C@@H](C)c1noc(CN(C)C(=O)Nc2c[nH]nc2-c2ccccc2)n1 ZINC000179482765 883003459 /nfs/dbraw/zinc/00/34/59/883003459.db2.gz UFROSDQPFLQNNM-LBPRGKRZSA-N 0 0 386.481 3.938 10 0 GHAERN CCO[C@@H](C)c1nc(CN2CCCN(C(=O)c3cccs3)CC2)cs1 ZINC000120805199 876308741 /nfs/dbraw/zinc/30/87/41/876308741.db2.gz ILOHPRAIRBDDBB-AWEZNQCLSA-N 0 0 379.551 3.650 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000179931299 883039689 /nfs/dbraw/zinc/03/96/89/883039689.db2.gz SMRLYQJOPVQJCN-BNEJOLLZSA-N 0 0 382.863 3.520 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@@H](C(=O)OC(C)(C)C)c2ccccc2)o1 ZINC000180136173 883036440 /nfs/dbraw/zinc/03/64/40/883036440.db2.gz UXURGVQGAVHAKO-LJQANCHMSA-N 0 0 395.459 3.918 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)nn1-c1ccc(C)cc1 ZINC000180087566 883049620 /nfs/dbraw/zinc/04/96/20/883049620.db2.gz VXBVXNGAOFQODV-UHFFFAOYSA-N 0 0 392.507 3.709 10 0 GHAERN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000121239553 876676086 /nfs/dbraw/zinc/67/60/86/876676086.db2.gz DADVORNZWKNOPG-STQMWFEESA-N 0 0 380.366 3.889 10 0 GHAERN CCOCCC1(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CCCC1 ZINC000121275590 876710300 /nfs/dbraw/zinc/71/03/00/876710300.db2.gz IMOWWXQWXQGUCG-LJQANCHMSA-N 0 0 387.524 3.786 10 0 GHAERN CN(C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000180203738 883066856 /nfs/dbraw/zinc/06/68/56/883066856.db2.gz XWKXGWFXYJNLJZ-KRWDZBQOSA-N 0 0 375.831 3.532 10 0 GHAERN COc1ccc2nc(Cl)c(C(=O)N[C@H]3CCCn4nc(C(C)C)nc43)cc2c1 ZINC000180242012 883068318 /nfs/dbraw/zinc/06/83/18/883068318.db2.gz KDCQZTOSJWMKBS-INIZCTEOSA-N 0 0 399.882 3.877 10 0 GHAERN COc1ccc(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1OC(F)F ZINC000180855496 883103472 /nfs/dbraw/zinc/10/34/72/883103472.db2.gz IAPLRLRDOGWTHS-UHFFFAOYSA-N 0 0 392.402 3.684 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)Nc2cccc(S(=O)(=O)C(F)F)c2)n1 ZINC000121538854 877306762 /nfs/dbraw/zinc/30/67/62/877306762.db2.gz ZVWZBFOQRFRKNM-MRXNPFEDSA-N 0 0 395.431 3.755 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3sc(-c4ncccn4)nc3C)C2)cc1 ZINC000121894981 877928595 /nfs/dbraw/zinc/92/85/95/877928595.db2.gz OUKKLWVZRZNPHR-XJKSGUPXSA-N 0 0 394.500 3.935 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3sc(-c4cnn(C)c4)nc3C)C2)cc1 ZINC000121921914 878046889 /nfs/dbraw/zinc/04/68/89/878046889.db2.gz FUEGBCQOWLDACT-BBRMVZONSA-N 0 0 396.516 3.879 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000153422336 878306392 /nfs/dbraw/zinc/30/63/92/878306392.db2.gz NMPHAJNWOPVXIS-NHYWBVRUSA-N 0 0 381.373 3.866 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cc1 ZINC000122199560 878429870 /nfs/dbraw/zinc/42/98/70/878429870.db2.gz AARBIHKWWVZFPD-ZBFHGGJFSA-N 0 0 378.428 3.662 10 0 GHAERN c1c2c(sc1-c1nnc(CN3CCCN(c4ccccn4)CC3)o1)CCCC2 ZINC000122204533 878553497 /nfs/dbraw/zinc/55/34/97/878553497.db2.gz PBBSSSNBCQYAMB-UHFFFAOYSA-N 0 0 395.532 3.784 10 0 GHAERN CN(C(=O)NCc1ccc(C(C)(C)C)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152585905 879332419 /nfs/dbraw/zinc/33/24/19/879332419.db2.gz VTMXZWPDLURITH-LJQANCHMSA-N 0 0 381.524 3.585 10 0 GHAERN CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)CCO1 ZINC000181133115 883149067 /nfs/dbraw/zinc/14/90/67/883149067.db2.gz ROGVSATZMNHENQ-VQTJNVASSA-N 0 0 388.556 3.642 10 0 GHAERN CSCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000181779390 883184113 /nfs/dbraw/zinc/18/41/13/883184113.db2.gz JOHOJISWFMIWEE-MJGOQNOKSA-N 0 0 378.586 3.515 10 0 GHAERN CC(C)[C@H](CC1CCCCC1)C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181915461 883192273 /nfs/dbraw/zinc/19/22/73/883192273.db2.gz KBDHIWKGQSFXBQ-FQEVSTJZSA-N 0 0 375.557 3.824 10 0 GHAERN Cc1ccnn1-c1ccccc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000182205904 883211768 /nfs/dbraw/zinc/21/17/68/883211768.db2.gz QLNVKAKLRDCVGU-SFHVURJKSA-N 0 0 378.457 3.622 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)NCc2cccc(OC)c2OC)CC1 ZINC000102446130 883216845 /nfs/dbraw/zinc/21/68/45/883216845.db2.gz YWUHZPKZZQUVGP-UHFFFAOYSA-N 0 0 398.503 3.877 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1F ZINC000182557704 883227014 /nfs/dbraw/zinc/22/70/14/883227014.db2.gz SZPGVVHUHRIGRQ-UHFFFAOYSA-N 0 0 392.456 3.856 10 0 GHAERN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183081615 883260471 /nfs/dbraw/zinc/26/04/71/883260471.db2.gz QCHJVPSIXIHRJA-RKOGDMNLSA-N 0 0 389.525 3.611 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2scnc2C2CCCC2)CC1 ZINC000183610567 883291163 /nfs/dbraw/zinc/29/11/63/883291163.db2.gz BCPYBTSQTMVTJS-UHFFFAOYSA-N 0 0 389.546 3.851 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)Cc2cccs2)c2ccc(F)cc2C1 ZINC000184010288 883297048 /nfs/dbraw/zinc/29/70/48/883297048.db2.gz KMXZYIZDLFJHCH-DJJJIMSYSA-N 0 0 389.496 3.611 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)CCc2ccccc2)c2ccc(F)cc2C1 ZINC000184012280 883298405 /nfs/dbraw/zinc/29/84/05/883298405.db2.gz YMRMKMONLZLDQB-KSFYIVLOSA-N 0 0 397.494 3.940 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000184025318 883300416 /nfs/dbraw/zinc/30/04/16/883300416.db2.gz GIDMMLDORSYFBI-OALUTQOASA-N 0 0 385.439 3.589 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccc(F)cc2C1 ZINC000184033104 883301726 /nfs/dbraw/zinc/30/17/26/883301726.db2.gz PJEXJILQMIWREZ-HXUWFJFHSA-N 0 0 387.499 3.985 10 0 GHAERN CCCC(=O)Nc1cccc(NC(=O)N2CCCN(c3ccccn3)CC2)c1C ZINC000184091859 883316328 /nfs/dbraw/zinc/31/63/28/883316328.db2.gz DNRWJMKXZBYWPB-UHFFFAOYSA-N 0 0 395.507 3.873 10 0 GHAERN Cc1nc(-c2ccccc2)sc1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000184456708 883336870 /nfs/dbraw/zinc/33/68/70/883336870.db2.gz VGBRTTSTMXJVPV-UHFFFAOYSA-N 0 0 394.504 3.699 10 0 GHAERN CCOc1ccccc1CNC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184605568 883366783 /nfs/dbraw/zinc/36/67/83/883366783.db2.gz JFGKITSSLOZJNS-FQEVSTJZSA-N 0 0 399.466 3.517 10 0 GHAERN CC(C)(C)C[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C(F)(F)F ZINC000184647542 883370672 /nfs/dbraw/zinc/37/06/72/883370672.db2.gz VEVVFZRTIKAELB-KGLIPLIRSA-N 0 0 397.445 3.985 10 0 GHAERN COc1cc(C=O)ccc1OCCC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000184658593 883371339 /nfs/dbraw/zinc/37/13/39/883371339.db2.gz KOJRMLFWPXMXMD-IBGZPJMESA-N 0 0 382.460 3.816 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184845432 883386506 /nfs/dbraw/zinc/38/65/06/883386506.db2.gz FDQQHKFRBPKUIA-GOSISDBHSA-N 0 0 384.455 3.507 10 0 GHAERN COc1cc2c(=O)ncn(Cc3ncc(-c4ccccc4Cl)o3)c2cc1F ZINC000184902549 883401588 /nfs/dbraw/zinc/40/15/88/883401588.db2.gz REMCWBQQBZDDGC-UHFFFAOYSA-N 0 0 385.782 3.901 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2c3ccccc3C[C@H]2C)c2ccc(F)cc2C1 ZINC000185243384 883429622 /nfs/dbraw/zinc/42/96/22/883429622.db2.gz MBLPAHWTWCSXKB-JLTOFOAXSA-N 0 0 381.451 3.780 10 0 GHAERN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)Nc1cccc(C(F)F)c1 ZINC000185295081 883432724 /nfs/dbraw/zinc/43/27/24/883432724.db2.gz XCBGUDBTVVZCNY-INIZCTEOSA-N 0 0 377.366 3.777 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(F)cc2C1 ZINC000185291886 883432777 /nfs/dbraw/zinc/43/27/77/883432777.db2.gz ZCENKAXWIONLGF-HXUWFJFHSA-N 0 0 380.423 3.922 10 0 GHAERN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)Nc1c(C)cc(N(C)C)cc1C ZINC000185512236 883547765 /nfs/dbraw/zinc/54/77/65/883547765.db2.gz BBFOUQGJVIZYQX-HXUWFJFHSA-N 0 0 398.482 3.522 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCC(=O)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185519523 883550432 /nfs/dbraw/zinc/55/04/32/883550432.db2.gz CGPIMWZCBQUNQZ-NRFANRHFSA-N 0 0 396.462 3.707 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(OC(F)F)cc2)c2ccc(F)cc2C1 ZINC000185541762 883554438 /nfs/dbraw/zinc/55/44/38/883554438.db2.gz ALXUEJXCLNDEGE-GOSISDBHSA-N 0 0 392.377 3.650 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cnc(Cc4ccccc4F)s3)CCO2)o1 ZINC000185811541 883576315 /nfs/dbraw/zinc/57/63/15/883576315.db2.gz GBGZWASNAPSATA-QGZVFWFLSA-N 0 0 386.448 3.988 10 0 GHAERN CC(C)(O)c1ccc(CNC(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1 ZINC000185942654 883591514 /nfs/dbraw/zinc/59/15/14/883591514.db2.gz WKNJZIWOVWCKJR-UHFFFAOYSA-N 0 0 385.483 3.839 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186190624 883619128 /nfs/dbraw/zinc/61/91/28/883619128.db2.gz IAQCJOSDWYTDBE-PXNSSMCTSA-N 0 0 399.560 3.655 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000186250763 883624850 /nfs/dbraw/zinc/62/48/50/883624850.db2.gz SIBANFMMDWSBIG-KRWDZBQOSA-N 0 0 378.476 3.817 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1ccc(OC(F)F)cc1 ZINC000186318382 883632209 /nfs/dbraw/zinc/63/22/09/883632209.db2.gz WEEKLWFJGGRTRN-OAHLLOKOSA-N 0 0 390.434 3.666 10 0 GHAERN CCSCc1cc(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)no1 ZINC000186285856 883636374 /nfs/dbraw/zinc/63/63/74/883636374.db2.gz QNKMTBHSZIFMPH-CYBMUJFWSA-N 0 0 376.478 3.575 10 0 GHAERN C[C@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)COCc1ccccc1 ZINC000186590524 883667564 /nfs/dbraw/zinc/66/75/64/883667564.db2.gz XHWPAOXAQMHIFO-OAHLLOKOSA-N 0 0 382.464 3.638 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCCN(c4ccccc4F)C3)ccc2NC1=O ZINC000186599767 883668738 /nfs/dbraw/zinc/66/87/38/883668738.db2.gz TZYBLUTWCOGDGA-MRXNPFEDSA-N 0 0 397.454 3.594 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@H](c2ccc(F)cc2)O1 ZINC000186618096 883675578 /nfs/dbraw/zinc/67/55/78/883675578.db2.gz FZUIXESQLALMMU-ORAYPTAESA-N 0 0 398.438 3.797 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)ccc2NC1=O ZINC000186682687 883687869 /nfs/dbraw/zinc/68/78/69/883687869.db2.gz PEANIBXEBVECCF-PKOBYXMFSA-N 0 0 380.448 3.706 10 0 GHAERN Cc1cc(CCCC(=O)N2CCC(c3nc(N(C)C)no3)CC2)c(C)s1 ZINC000186777333 883702246 /nfs/dbraw/zinc/70/22/46/883702246.db2.gz KKTXSSMUBHGSBP-UHFFFAOYSA-N 0 0 376.526 3.543 10 0 GHAERN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)N1CCC(Nc2nccs2)CC1 ZINC000186790430 883703697 /nfs/dbraw/zinc/70/36/97/883703697.db2.gz PJUBFDOGANOXHY-QZTJIDSGSA-N 0 0 386.521 3.649 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000186808531 883707280 /nfs/dbraw/zinc/70/72/80/883707280.db2.gz MUVMDSVAVLJTEL-AWEZNQCLSA-N 0 0 396.415 3.727 10 0 GHAERN O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)c1ccc(F)cc1F ZINC000186926661 883717234 /nfs/dbraw/zinc/71/72/34/883717234.db2.gz DXMKBRAFJYQAAK-UHFFFAOYSA-N 0 0 398.413 3.862 10 0 GHAERN COc1cc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000187080926 883753549 /nfs/dbraw/zinc/75/35/49/883753549.db2.gz RBURSJWYLAQGIA-GOSISDBHSA-N 0 0 389.402 3.588 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)cc1C ZINC000187500128 883795287 /nfs/dbraw/zinc/79/52/87/883795287.db2.gz JRWUBDZPCZFENC-SOFGYWHQSA-N 0 0 397.475 3.581 10 0 GHAERN Cc1cc(C)c2c(c1)CN(C(=O)C1CCN(C(=O)c3cccs3)CC1)CC2 ZINC000187722559 883818040 /nfs/dbraw/zinc/81/80/40/883818040.db2.gz GPDJIYVAAWRVPX-UHFFFAOYSA-N 0 0 382.529 3.802 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C2(Cc3ccccc3F)CC2)c2ccc(F)cc2C1 ZINC000188587724 883843995 /nfs/dbraw/zinc/84/39/95/883843995.db2.gz ZEICJPHPRGEXBE-NRFANRHFSA-N 0 0 398.453 3.897 10 0 GHAERN O=S(=O)(c1ccccc1OC(F)F)N1CC2(CCOCC2)c2ccccc21 ZINC000189369692 883941735 /nfs/dbraw/zinc/94/17/35/883941735.db2.gz YKFJUKSZDPUFTP-UHFFFAOYSA-N 0 0 395.427 3.545 10 0 GHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000189577531 883965050 /nfs/dbraw/zinc/96/50/50/883965050.db2.gz UKDPEJWGWDEKKM-NRFANRHFSA-N 0 0 390.487 3.606 10 0 GHAERN Cc1nn(C)cc1NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000189701881 883982065 /nfs/dbraw/zinc/98/20/65/883982065.db2.gz JHLRXIQAEIECCZ-UHFFFAOYSA-N 0 0 396.322 3.821 10 0 GHAERN O=C(c1cccc(OCC(F)(F)F)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189808793 884011805 /nfs/dbraw/zinc/01/18/05/884011805.db2.gz JNFNWDAGUWIMRK-UHFFFAOYSA-N 0 0 392.377 3.731 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189856073 884017232 /nfs/dbraw/zinc/01/72/32/884017232.db2.gz WCXMOPUAVAZZCU-APWZRJJASA-N 0 0 390.483 3.990 10 0 GHAERN O=C(NCc1ccc(OC(F)F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190000336 884029992 /nfs/dbraw/zinc/02/99/92/884029992.db2.gz ANSLDCSQGZUDSP-UHFFFAOYSA-N 0 0 382.436 3.531 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000189985002 884030802 /nfs/dbraw/zinc/03/08/02/884030802.db2.gz MPOCNYATGKJRFD-XQQFMLRXSA-N 0 0 377.432 3.656 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000190011994 884042440 /nfs/dbraw/zinc/04/24/40/884042440.db2.gz ZKGFSUCEDBGTDF-UKRRQHHQSA-N 0 0 381.885 3.502 10 0 GHAERN Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)CC2)nc1 ZINC000190224162 884059253 /nfs/dbraw/zinc/05/92/53/884059253.db2.gz WXMTVAARMDLLLT-UNMCSNQZSA-N 0 0 379.504 3.500 10 0 GHAERN O=C(c1ccc(Br)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190425280 884078940 /nfs/dbraw/zinc/07/89/40/884078940.db2.gz XSGPBZHWYLKIMU-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN CCc1c(C(=O)N2CCC(Nc3nccs3)CC2)cnn1Cc1ccccc1 ZINC000190441610 884081569 /nfs/dbraw/zinc/08/15/69/884081569.db2.gz KYVODVQVSCZPNB-UHFFFAOYSA-N 0 0 395.532 3.667 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000190504633 884094090 /nfs/dbraw/zinc/09/40/90/884094090.db2.gz UUIAKVVWUUPPNL-MRXNPFEDSA-N 0 0 394.471 3.797 10 0 GHAERN CCOc1c(Cl)cccc1CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000191138194 884156002 /nfs/dbraw/zinc/15/60/02/884156002.db2.gz SPPZETMWNGJYLS-GOSISDBHSA-N 0 0 384.867 3.614 10 0 GHAERN O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207429 884163884 /nfs/dbraw/zinc/16/38/84/884163884.db2.gz BOAKOJFMQCFMNZ-HNNXBMFYSA-N 0 0 395.409 3.531 10 0 GHAERN O=C(NCc1ccc(C2CC2)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000191612919 884191886 /nfs/dbraw/zinc/19/18/86/884191886.db2.gz LKBOOANQUBJLBF-UHFFFAOYSA-N 0 0 383.536 3.888 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)CCO2)cn1 ZINC000191712860 884206218 /nfs/dbraw/zinc/20/62/18/884206218.db2.gz QWKYBVYLYDYZNX-DKRLNXSXSA-N 0 0 379.382 3.535 10 0 GHAERN CNC(=O)c1cccc(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000192182511 884244523 /nfs/dbraw/zinc/24/45/23/884244523.db2.gz OLIVTJFUQQNINZ-UHFFFAOYSA-N 0 0 377.448 3.999 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c1 ZINC000192430111 884261091 /nfs/dbraw/zinc/26/10/91/884261091.db2.gz PENSVSPQMYFBAP-SFHVURJKSA-N 0 0 399.495 3.554 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccco2)c2ccccn2)CC1 ZINC000192465024 884263823 /nfs/dbraw/zinc/26/38/23/884263823.db2.gz VRGFAXTUEGZQCH-UHFFFAOYSA-N 0 0 395.484 3.822 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(OC)cc1 ZINC000193241985 884333250 /nfs/dbraw/zinc/33/32/50/884333250.db2.gz RTVZUMAXVSFUED-IEBWSBKVSA-N 0 0 393.491 3.778 10 0 GHAERN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000193387518 884347805 /nfs/dbraw/zinc/34/78/05/884347805.db2.gz YTQSWDQRPILKRP-IEBWSBKVSA-N 0 0 377.492 3.558 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)COc1ccc(F)cc1F ZINC000105185574 884664007 /nfs/dbraw/zinc/66/40/07/884664007.db2.gz VHAGZYRQJUZUAO-OAHLLOKOSA-N 0 0 377.435 3.791 10 0 GHAERN CC(C)(C)NC(=O)CSCc1nc(-c2cccc(Br)c2)no1 ZINC000105627511 884788335 /nfs/dbraw/zinc/78/83/35/884788335.db2.gz GITVHNPUOAVBCI-UHFFFAOYSA-N 0 0 384.299 3.647 10 0 GHAERN CCOc1ccc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)cc1F ZINC000105985261 884939495 /nfs/dbraw/zinc/93/94/95/884939495.db2.gz YCNJTDJFWVZCMJ-UHFFFAOYSA-N 0 0 390.480 3.521 10 0 GHAERN COC(=O)CC[C@@H](NC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000105988353 884942800 /nfs/dbraw/zinc/94/28/00/884942800.db2.gz PJJFRTUGTUQSKQ-QGZVFWFLSA-N 0 0 381.432 3.771 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000248852784 885067895 /nfs/dbraw/zinc/06/78/95/885067895.db2.gz OYELTUNDZPGUNB-OLMNPRSZSA-N 0 0 382.863 3.520 10 0 GHAERN Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103732969 885152272 /nfs/dbraw/zinc/15/22/72/885152272.db2.gz OEEVOXGQOGLBJN-UHFFFAOYSA-N 0 0 392.644 3.639 10 0 GHAERN Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)n2C)c1 ZINC000003400503 885230071 /nfs/dbraw/zinc/23/00/71/885230071.db2.gz XFGHEXXFVHZHGZ-AWEZNQCLSA-N 0 0 384.480 3.899 10 0 GHAERN C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccc(F)cc1 ZINC000003545705 885257230 /nfs/dbraw/zinc/25/72/30/885257230.db2.gz UJKSVVJFCBJWOB-GFCCVEGCSA-N 0 0 388.443 3.730 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N1CCC(Cc2cccc(F)c2)CC1 ZINC000104277978 885356181 /nfs/dbraw/zinc/35/61/81/885356181.db2.gz JIIJNSUOLIFJIQ-UHFFFAOYSA-N 0 0 399.857 3.550 10 0 GHAERN CN(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000104230100 885360060 /nfs/dbraw/zinc/36/00/60/885360060.db2.gz MGBIENSGKVHZMB-UHFFFAOYSA-N 0 0 395.772 3.607 10 0 GHAERN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104290195 885377135 /nfs/dbraw/zinc/37/71/35/885377135.db2.gz VTUDRTAMIUTQOI-UHFFFAOYSA-N 0 0 391.446 3.669 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCCc1nc(-c2cccs2)no1 ZINC000104459442 885452533 /nfs/dbraw/zinc/45/25/33/885452533.db2.gz YKWJWJADRQTHQN-UHFFFAOYSA-N 0 0 385.489 3.831 10 0 GHAERN CCCCCc1nnc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000020612672 885808709 /nfs/dbraw/zinc/80/87/09/885808709.db2.gz QAQIIGVGUGXNAZ-UHFFFAOYSA-N 0 0 392.550 3.823 10 0 GHAERN COc1ccccc1[C@@H](C)CC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000103064397 885982575 /nfs/dbraw/zinc/98/25/75/885982575.db2.gz GGGHNIRYLFLPCG-INIZCTEOSA-N 0 0 378.476 3.638 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc2)[nH]1 ZINC000105102146 886011123 /nfs/dbraw/zinc/01/11/23/886011123.db2.gz LWTSTIKKHVLHSJ-RRFJBIMHSA-N 0 0 381.402 3.623 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1 ZINC000109884084 886160427 /nfs/dbraw/zinc/16/04/27/886160427.db2.gz WHIMCYRNYSKWFZ-WMZOPIPTSA-N 0 0 397.544 3.999 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(c3nncn3C3CC3)CC2)cc1 ZINC000110810575 886212308 /nfs/dbraw/zinc/21/23/08/886212308.db2.gz NTHAWYFYTOQGKX-BJMVGYQFSA-N 0 0 380.492 3.820 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000112307522 886257380 /nfs/dbraw/zinc/25/73/80/886257380.db2.gz NZLISTDILWEGFP-UHFFFAOYSA-N 0 0 398.406 3.635 10 0 GHAERN O=C(c1csc(-c2ccccc2)n1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307042 886257866 /nfs/dbraw/zinc/25/78/66/886257866.db2.gz YWNAFYBGZPMFCP-UHFFFAOYSA-N 0 0 397.525 3.860 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)/C=C/c3cccc(C(F)(F)F)c3)C2)n1 ZINC000116774808 886372684 /nfs/dbraw/zinc/37/26/84/886372684.db2.gz VMRODFCCXRTXMF-KBOKABMXSA-N 0 0 392.425 3.866 10 0 GHAERN O=C(Nc1cccc(Oc2ccncc2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119002042 886420554 /nfs/dbraw/zinc/42/05/54/886420554.db2.gz ITNAUFNZUPNYLU-HXUWFJFHSA-N 0 0 376.416 3.954 10 0 GHAERN Cc1nc([C@@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2ccccc2F)no1 ZINC000119151801 886429730 /nfs/dbraw/zinc/42/97/30/886429730.db2.gz HHMXOOCZOMJGSJ-AWEZNQCLSA-N 0 0 375.791 3.785 10 0 GHAERN CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119341222 886451911 /nfs/dbraw/zinc/45/19/11/886451911.db2.gz DLSXLXQCRZDSHJ-HNNXBMFYSA-N 0 0 378.432 3.502 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c2cnn(C)c2n1 ZINC000119833796 886480911 /nfs/dbraw/zinc/48/09/11/886480911.db2.gz YKJZOBBATOTCOB-AWEZNQCLSA-N 0 0 395.532 3.632 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O)c1ccc(-c2ccccc2)cc1 ZINC000332806684 886548886 /nfs/dbraw/zinc/54/88/86/886548886.db2.gz ATPNEAPVNREOSL-XCYUPCBOSA-N 0 0 394.515 3.986 10 0 GHAERN Cc1noc([C@@H](NC(=O)N2CCCC[C@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000332888815 886557603 /nfs/dbraw/zinc/55/76/03/886557603.db2.gz FMAJIIFTTMXKSJ-PMACEKPBSA-N 0 0 398.507 3.653 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000332979590 886564367 /nfs/dbraw/zinc/56/43/67/886564367.db2.gz PULBJULZQWGVJY-VNYTWHDVSA-N 0 0 390.549 3.569 10 0 GHAERN COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000123544736 886648034 /nfs/dbraw/zinc/64/80/34/886648034.db2.gz IVJZYXMEESHNPT-OAQYLSRUSA-N 0 0 392.499 3.665 10 0 GHAERN O=C(c1ccccc1OCC1CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000124499800 886756801 /nfs/dbraw/zinc/75/68/01/886756801.db2.gz UKKWUPBLUNGOMX-UHFFFAOYSA-N 0 0 384.520 3.730 10 0 GHAERN CCS[C@H]1CCCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124565739 886766420 /nfs/dbraw/zinc/76/64/20/886766420.db2.gz QKUKXCGRBQBLSM-WMLDXEAASA-N 0 0 392.500 3.924 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1F ZINC000125233878 886841767 /nfs/dbraw/zinc/84/17/67/886841767.db2.gz ZHCVUJFCXVOFHU-IWOOQVRJSA-N 0 0 380.423 3.648 10 0 GHAERN CC(C)(C)c1ccc(CCC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126371839 886962370 /nfs/dbraw/zinc/96/23/70/886962370.db2.gz RSKSSDFVOHGYPU-UHFFFAOYSA-N 0 0 383.536 3.512 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000126637490 886989893 /nfs/dbraw/zinc/98/98/93/886989893.db2.gz GBXROXPRULHBRU-IBGZPJMESA-N 0 0 377.469 3.556 10 0 GHAERN CC(C)(CO)[C@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1 ZINC000126966270 887018912 /nfs/dbraw/zinc/01/89/12/887018912.db2.gz WHWXEIQBEHPPLS-ZWKOTPCHSA-N 0 0 387.549 3.834 10 0 GHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000127084253 887028993 /nfs/dbraw/zinc/02/89/93/887028993.db2.gz CXJBLNZEDJTIGY-UHFFFAOYSA-N 0 0 396.466 3.687 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000045103467 887030621 /nfs/dbraw/zinc/03/06/21/887030621.db2.gz ULWKVBSYADOSCI-GDBMZVCRSA-N 0 0 397.454 3.527 10 0 GHAERN COc1ccc([C@@H](NC(=O)N2CCC(Cc3nccn3C)CC2)C(C)C)cc1 ZINC000128061815 887142134 /nfs/dbraw/zinc/14/21/34/887142134.db2.gz HMAZBYBIOYQYRL-NRFANRHFSA-N 0 0 384.524 3.790 10 0 GHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)NC2CCN(c3ncccn3)CC2)c1 ZINC000128074668 887143821 /nfs/dbraw/zinc/14/38/21/887143821.db2.gz CQWHBTTUJXFCAI-FQEVSTJZSA-N 0 0 379.508 3.609 10 0 GHAERN COc1ccccc1[C@H](NC(=O)c1cc(OC)c(OC)cc1F)c1ccco1 ZINC000129124452 887262652 /nfs/dbraw/zinc/26/26/52/887262652.db2.gz QLIMIHXVXLXYGR-FQEVSTJZSA-N 0 0 385.391 3.964 10 0 GHAERN O=C(NCCc1ccc(Cl)s1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000047144026 887275093 /nfs/dbraw/zinc/27/50/93/887275093.db2.gz UKQBCCHFAQBRNT-UHFFFAOYSA-N 0 0 397.972 3.768 10 0 GHAERN CO[C@H](C)c1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 ZINC000105032828 887294710 /nfs/dbraw/zinc/29/47/10/887294710.db2.gz JINRUHUJYUIABL-DYESRHJHSA-N 0 0 395.503 3.749 10 0 GHAERN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CCc3cnn(-c4ccccc4)c3)c2)n1 ZINC000047317334 887310705 /nfs/dbraw/zinc/31/07/05/887310705.db2.gz XFNAFPXBSGPJFD-UHFFFAOYSA-N 0 0 399.454 3.502 10 0 GHAERN O=C(NCc1ccccc1)C1CCN(C(=O)Nc2cc(F)c(F)cc2F)CC1 ZINC000105046903 887338395 /nfs/dbraw/zinc/33/83/95/887338395.db2.gz QKDKVOUOCIZZNC-UHFFFAOYSA-N 0 0 391.393 3.664 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000129701685 887341436 /nfs/dbraw/zinc/34/14/36/887341436.db2.gz ISPUFMUYQCVIIR-BQYQJAHWSA-N 0 0 390.365 3.661 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)CC1 ZINC000129854772 887359121 /nfs/dbraw/zinc/35/91/21/887359121.db2.gz FZYAZWCLOZAYEJ-KRWDZBQOSA-N 0 0 394.441 3.558 10 0 GHAERN Cc1c(NC(=O)c2cccc(CN3CCCC3=O)c2)cnn1-c1ccccc1F ZINC000129937190 887371745 /nfs/dbraw/zinc/37/17/45/887371745.db2.gz ITXXAJQIHVAFNP-UHFFFAOYSA-N 0 0 392.434 3.695 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000130267822 887407785 /nfs/dbraw/zinc/40/77/85/887407785.db2.gz HDAWTZMJFLXLDO-VXKWHMMOSA-N 0 0 388.511 3.926 10 0 GHAERN O=C(Nc1ccc2c(c1)NC(=O)CS2)NC1CCN(c2cccs2)CC1 ZINC000130371770 887425429 /nfs/dbraw/zinc/42/54/29/887425429.db2.gz KUANAGJZYWOEOV-UHFFFAOYSA-N 0 0 388.518 3.583 10 0 GHAERN COc1ccc(CNC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1Cl ZINC000130745207 887469608 /nfs/dbraw/zinc/46/96/08/887469608.db2.gz FGSGFPNTJYCGCA-UHFFFAOYSA-N 0 0 388.899 3.520 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CCO2)o1 ZINC000133394290 887757622 /nfs/dbraw/zinc/75/76/22/887757622.db2.gz YVLMQYLPFSRMCD-SFHVURJKSA-N 0 0 392.496 3.525 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccccc3-c3nnc(C)o3)C2)c1 ZINC000133823804 887805252 /nfs/dbraw/zinc/80/52/52/887805252.db2.gz YITSPVVCRHZGJF-HNNXBMFYSA-N 0 0 393.443 3.692 10 0 GHAERN O=C([C@H]1CCCc2n[nH]cc21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350615 887862712 /nfs/dbraw/zinc/86/27/12/887862712.db2.gz DQMIQFQDLWPVHC-IRXDYDNUSA-N 0 0 375.476 3.626 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000052685429 887871434 /nfs/dbraw/zinc/87/14/34/887871434.db2.gz KGZQBAGQVGGTEE-IBGZPJMESA-N 0 0 385.552 3.745 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(N2CCCC2)c1 ZINC000134831722 887919075 /nfs/dbraw/zinc/91/90/75/887919075.db2.gz DXUOSNPGEYQCMP-LAUBAEHRSA-N 0 0 380.492 3.606 10 0 GHAERN Cc1cc(=O)[nH]c(-c2cccc(NC(=O)Cc3ccc(OC(F)F)cc3)c2)n1 ZINC000053469662 888228160 /nfs/dbraw/zinc/22/81/60/888228160.db2.gz VABXSJPXJRIVHC-UHFFFAOYSA-N 0 0 385.370 3.528 10 0 GHAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000053640060 888238174 /nfs/dbraw/zinc/23/81/74/888238174.db2.gz LJODRUZHEDGVRT-UHFFFAOYSA-N 0 0 390.499 3.624 10 0 GHAERN C[C@@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000054090758 888262085 /nfs/dbraw/zinc/26/20/85/888262085.db2.gz LRUOVQCVBVOYDA-MRXNPFEDSA-N 0 0 384.501 3.650 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)N2CC[C@H](Oc3cccnc3)C2)n1 ZINC000137044311 888329581 /nfs/dbraw/zinc/32/95/81/888329581.db2.gz RPOPDZWLZDKMOW-SFHVURJKSA-N 0 0 377.448 3.569 10 0 GHAERN CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000137139933 888336227 /nfs/dbraw/zinc/33/62/27/888336227.db2.gz ZDYKSASZGSMYFI-IBGZPJMESA-N 0 0 396.491 3.685 10 0 GHAERN COc1c(F)cc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1F ZINC000055948592 888341171 /nfs/dbraw/zinc/34/11/71/888341171.db2.gz RFXKXDRYEQPAAY-NSHDSACASA-N 0 0 380.416 3.526 10 0 GHAERN O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000056395597 888359345 /nfs/dbraw/zinc/35/93/45/888359345.db2.gz JJCASDIWAJFODJ-QKNQBKEWSA-N 0 0 390.487 3.603 10 0 GHAERN Cn1c2ccc(NC(=O)[C@@H](c3ccccc3)N3CCc4ccccc43)cc2oc1=O ZINC000105373389 888424959 /nfs/dbraw/zinc/42/49/59/888424959.db2.gz WQAOGIAIJIVJPB-JOCHJYFZSA-N 0 0 399.450 3.874 10 0 GHAERN O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000194046638 888550191 /nfs/dbraw/zinc/55/01/91/888550191.db2.gz ULRMJLMSKSYMEP-FPOVZHCZSA-N 0 0 390.487 3.603 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)CC(=O)N4C)C2)cc1 ZINC000194137640 888559642 /nfs/dbraw/zinc/55/96/42/888559642.db2.gz SMNNLKPXTHNHAI-YOEHRIQHSA-N 0 0 379.460 3.624 10 0 GHAERN O=C(NCc1nc(-c2ccccc2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000194270305 888571375 /nfs/dbraw/zinc/57/13/75/888571375.db2.gz GHNJTMGNJJNPGT-IBGZPJMESA-N 0 0 391.496 3.731 10 0 GHAERN COc1ccccc1-n1ncc(C(=O)N2CCC(c3nc(C)cs3)CC2)c1C ZINC000195189600 888651998 /nfs/dbraw/zinc/65/19/98/888651998.db2.gz SNZALTUSLQKSEL-UHFFFAOYSA-N 0 0 396.516 3.974 10 0 GHAERN C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000195432272 888665067 /nfs/dbraw/zinc/66/50/67/888665067.db2.gz WFGIFSTXXFHYRZ-MBOZVWFJSA-N 0 0 379.504 3.749 10 0 GHAERN COc1ccccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OCc1ncc(C)o1 ZINC000245445958 888780302 /nfs/dbraw/zinc/78/03/02/888780302.db2.gz KTHZLUPJOGYZMP-NXHRZFHOSA-N 0 0 398.459 3.508 10 0 GHAERN Cc1cccc(NC(=O)N2CCC(C(=O)N(C)[C@@H](C)c3cccnc3)CC2)c1 ZINC000068294572 891175559 /nfs/dbraw/zinc/17/55/59/891175559.db2.gz KIYQDTGWBPUTRC-KRWDZBQOSA-N 0 0 380.492 3.854 10 0 GHAERN CC(C)(C)OC(=O)NC1(CNC(=O)COCc2ccccc2)CCCCCC1 ZINC000106024896 891179462 /nfs/dbraw/zinc/17/94/62/891179462.db2.gz DCCPIPBZELNHQV-UHFFFAOYSA-N 0 0 390.524 3.937 10 0 GHAERN Brc1cccc(-c2c[nH]c(CN3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246467984 891267359 /nfs/dbraw/zinc/26/73/59/891267359.db2.gz OIDWUZPPJZBJTC-CVEARBPZSA-N 0 0 394.338 3.546 10 0 GHAERN Brc1cc2cccnc2c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246854866 891315598 /nfs/dbraw/zinc/31/55/98/891315598.db2.gz KWAVLZJOOKXVJK-HZPDHXFCSA-N 0 0 379.323 3.704 10 0 GHAERN O=C(CCC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)CCC(=O)c1cccs1 ZINC000246935417 891325134 /nfs/dbraw/zinc/32/51/34/891325134.db2.gz SCMCUXMOJZQUCE-CDHQVMDDSA-N 0 0 389.517 3.524 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1C ZINC000247330653 891367839 /nfs/dbraw/zinc/36/78/39/891367839.db2.gz JBIBJMVAOJOWCO-DFQSSKMNSA-N 0 0 376.497 3.627 10 0 GHAERN C[C@H](CN(C)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439302 891436633 /nfs/dbraw/zinc/43/66/33/891436633.db2.gz CLLMSFSUVZAWCC-JLZZUVOBSA-N 0 0 394.491 3.612 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000248761640 891466376 /nfs/dbraw/zinc/46/63/76/891466376.db2.gz GPCCIEHMQPORGM-IEZWGBDMSA-N 0 0 382.485 3.526 10 0 GHAERN O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000248874331 891476132 /nfs/dbraw/zinc/47/61/32/891476132.db2.gz BXSUFHNQEOXVKW-YSVLISHTSA-N 0 0 383.414 3.644 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000103302974 898083094 /nfs/dbraw/zinc/08/30/94/898083094.db2.gz ZLMZEMCXTAFHLP-BEVDRBHNSA-N 0 0 381.476 3.603 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@H](c4cccs4)C3)CCO2)n1 ZINC000333202910 900034048 /nfs/dbraw/zinc/03/40/48/900034048.db2.gz RUCBLMFUAPPVPH-KFWWJZLASA-N 0 0 393.534 3.516 10 0 GHAERN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@@H](C)c2nnc3n2CCCC3)c2ccccc21 ZINC000333355473 902031333 /nfs/dbraw/zinc/03/13/33/902031333.db2.gz WNTNWZLZDAIJSZ-BXWFABGCSA-N 0 0 381.524 3.902 10 0 GHAERN CC(C)(C)[C@H]1CCc2nc(NC(=O)N3CCNC[C@H]3c3cccnc3)sc2C1 ZINC000333370535 902043053 /nfs/dbraw/zinc/04/30/53/902043053.db2.gz UZKPAWJAPJSVCD-RDJZCZTQSA-N 0 0 399.564 3.868 10 0 GHAERN O=C(Nc1ccc2cc[nH]c(=O)c2c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000333406520 902068443 /nfs/dbraw/zinc/06/84/43/902068443.db2.gz OWELTSRQMBEPEL-KRWDZBQOSA-N 0 0 392.463 3.627 10 0 GHAERN COc1ccc([C@@H]2CCCCCN2C(=O)CN2NC(=O)CC23CCCCC3)cc1 ZINC000333819767 902347576 /nfs/dbraw/zinc/34/75/76/902347576.db2.gz IRTRUEWPIKGVSD-FQEVSTJZSA-N 0 0 399.535 3.579 10 0 GHAERN O=S(=O)(c1cccc(N[C@@H]2CCCC23CCCCC3)c1)N1CCC(O)CC1 ZINC000333864018 902380026 /nfs/dbraw/zinc/38/00/26/902380026.db2.gz SJFIELXYFQDORS-HXUWFJFHSA-N 0 0 392.565 3.747 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000334028116 902514455 /nfs/dbraw/zinc/51/44/55/902514455.db2.gz IYBKLUIVULMWGW-RXVVDRJESA-N 0 0 383.536 3.887 10 0 GHAERN O=C(N[C@H]1CCc2c1cccc2F)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334047329 902523847 /nfs/dbraw/zinc/52/38/47/902523847.db2.gz QNHGPSZXZOHTPB-AVRDEDQJSA-N 0 0 380.419 3.633 10 0 GHAERN O[C@@H]1CC[C@@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]2C1 ZINC000334114796 902562426 /nfs/dbraw/zinc/56/24/26/902562426.db2.gz GHBSGXYNGZTDDN-BZUAXINKSA-N 0 0 392.528 3.839 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000282789803 904321350 /nfs/dbraw/zinc/32/13/50/904321350.db2.gz YTTUWPJHZJYAIC-ONUIULTDSA-N 0 0 390.499 3.771 10 0 GHAERN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181166308 906930335 /nfs/dbraw/zinc/93/03/35/906930335.db2.gz AQXOULLOSPYUEA-HNNXBMFYSA-N 0 0 385.468 3.667 10 0 GHAERN O=C(N[C@H]1CCCc2ccccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182181583 907152837 /nfs/dbraw/zinc/15/28/37/907152837.db2.gz RFFRWILZSCBLGQ-OALUTQOASA-N 0 0 379.508 3.929 10 0 GHAERN O=C(Nc1ccc(Br)c(Cl)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183318522 907366453 /nfs/dbraw/zinc/36/64/53/907366453.db2.gz QLHGZRDTFDPSGR-GFCCVEGCSA-N 0 0 384.665 3.980 10 0 GHAERN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000184798703 907659541 /nfs/dbraw/zinc/65/95/41/907659541.db2.gz ZETJLXWHSDFERF-OAHLLOKOSA-N 0 0 391.859 3.782 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2CCC[C@H]2c2csc(C)n2)c(C)n1 ZINC000187062981 908029863 /nfs/dbraw/zinc/02/98/63/908029863.db2.gz UIIGGPBBAMFXPE-INIZCTEOSA-N 0 0 376.551 3.877 10 0 GHAERN COc1ccc(COCCNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000187361029 908080246 /nfs/dbraw/zinc/08/02/46/908080246.db2.gz TWLHOWBUIIZAFH-SFHVURJKSA-N 0 0 375.494 3.523 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000189098699 908284080 /nfs/dbraw/zinc/28/40/80/908284080.db2.gz UHKOOMUATRNRNG-GXTWGEPZSA-N 0 0 381.885 3.746 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cs1 ZINC000189449262 908324831 /nfs/dbraw/zinc/32/48/31/908324831.db2.gz UUCZRBSDVPHDGQ-AWEZNQCLSA-N 0 0 383.395 3.773 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000190013226 908402212 /nfs/dbraw/zinc/40/22/12/908402212.db2.gz VAGVQGFGZVTCFU-ZFWWWQNUSA-N 0 0 391.880 3.777 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2c3ccccc3Oc3ccccc32)C1 ZINC000190009733 908402519 /nfs/dbraw/zinc/40/25/19/908402519.db2.gz XTPWLZBDXQKAGC-YOEHRIQHSA-N 0 0 391.427 3.604 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)/C=C/c2cccc(OC3CCCC3)c2)C1 ZINC000190021649 908405190 /nfs/dbraw/zinc/40/51/90/908405190.db2.gz CQYMFOXGXTUODN-WNGAPAKLSA-N 0 0 397.475 3.701 10 0 GHAERN COc1cc(-c2ccccc2)sc1C(=O)N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000190022283 908405216 /nfs/dbraw/zinc/40/52/16/908405216.db2.gz OUHOGHWBVGVSOE-HUUCEWRRSA-N 0 0 399.472 3.717 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000190039164 908410035 /nfs/dbraw/zinc/41/00/35/908410035.db2.gz XFAHODIHKIWVSW-UXHICEINSA-N 0 0 377.444 3.576 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000190069315 908419017 /nfs/dbraw/zinc/41/90/17/908419017.db2.gz UHKOOMUATRNRNG-OCCSQVGLSA-N 0 0 381.885 3.746 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000190079723 908421990 /nfs/dbraw/zinc/42/19/90/908421990.db2.gz NEMMMLCATOQMCQ-CVEARBPZSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000190120777 908431379 /nfs/dbraw/zinc/43/13/79/908431379.db2.gz CURDTUUCHBQTIM-RDJZCZTQSA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000190133591 908435710 /nfs/dbraw/zinc/43/57/10/908435710.db2.gz KWMCBSMYBCZYCY-ZFWWWQNUSA-N 0 0 398.385 3.867 10 0 GHAERN O=C(N[C@H]1CCOc2c(F)cccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000190999387 908556850 /nfs/dbraw/zinc/55/68/50/908556850.db2.gz ZQQMMWJRZVHYOF-IRXDYDNUSA-N 0 0 399.470 3.514 10 0 GHAERN CSc1ccc(N2C[C@@H](C(=O)OCc3sc(C)nc3C)CC2=O)cc1 ZINC000103822540 911380591 /nfs/dbraw/zinc/38/05/91/911380591.db2.gz UMGWYFOGAXVFAD-ZDUSSCGKSA-N 0 0 376.503 3.578 10 0 GHAERN O=C([C@@H]1CCCN1Cc1nnc(C2CC2)n1C1CC1)N1CCC[C@H]1C1CCCC1 ZINC000363668652 918640930 /nfs/dbraw/zinc/64/09/30/918640930.db2.gz AORVJTUUNXVWPF-PMACEKPBSA-N 0 0 397.567 3.636 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCC([C@@H]4CCCOC4)CC3)o2)o1 ZINC000367980415 922407993 /nfs/dbraw/zinc/40/79/93/922407993.db2.gz DYLJBOPVMHPOEN-CYBMUJFWSA-N 0 0 396.285 3.731 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(C(=O)[O-])cs2)CC(C)(C)C1 ZINC000710401840 977508293 /nfs/dbraw/zinc/50/82/93/977508293.db2.gz TVZBDXUFRJAWKK-AWEZNQCLSA-N 0 0 382.526 3.962 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CC[C@H](CC(C)C)C2)c2ccc(F)cc2C1 ZINC000184027938 1014571195 /nfs/dbraw/zinc/57/11/95/1014571195.db2.gz ICWULPWABMXDFY-OXQOHEQNSA-N 0 0 375.488 3.697 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)C2CCCCCC2)c2ccc(F)cc2C1 ZINC000185253979 1014577408 /nfs/dbraw/zinc/57/74/08/1014577408.db2.gz GVCFSIDSXKYZAS-FQEVSTJZSA-N 0 0 375.488 3.983 10 0 GHAERN C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000018891828 210220137 /nfs/dbraw/zinc/22/01/37/210220137.db2.gz UPLXGJYEBMWNJL-LBPRGKRZSA-N 0 0 376.250 3.640 10 0 GHAERN COc1ccc(CN2CCOc3c(O)cc(-c4cccnc4)cc3C2)c(OC)c1 ZINC000014983581 210139980 /nfs/dbraw/zinc/13/99/80/210139980.db2.gz HVDMYGYZDNUGSA-UHFFFAOYSA-N 0 0 392.455 3.866 10 0 GHAERN O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2noc3ccccc32)CC1 ZINC000013346130 210058783 /nfs/dbraw/zinc/05/87/83/210058783.db2.gz KYHARIITJVPEDU-UHFFFAOYSA-N 0 0 389.377 3.805 10 0 GHAERN O=C(Nc1ccc2c(c1)CN(C(=O)[C@H]1CCOC1)CC2)c1ccccc1Cl ZINC000012701358 209992795 /nfs/dbraw/zinc/99/27/95/209992795.db2.gz KYEVJMUSJOPPGN-HNNXBMFYSA-N 0 0 384.863 3.514 10 0 GHAERN Cc1oc(-c2ccccc2C)nc1C[S@](=O)CC(=O)NCc1ccccc1 ZINC000005058130 209564507 /nfs/dbraw/zinc/56/45/07/209564507.db2.gz BCLKRTYNEDFGBE-HHHXNRCGSA-N 0 0 382.485 3.524 10 0 aggregator GHAERN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 ZINC000001237685 209317942 /nfs/dbraw/zinc/31/79/42/209317942.db2.gz ALDRXEWCEIDKPR-ATVHPVEESA-N 0 0 382.441 3.760 10 0 GHAERN O=c1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nn1CCN1CCOCC1 ZINC000031571513 209243736 /nfs/dbraw/zinc/24/37/36/209243736.db2.gz PXZDPMRCXQTANE-UHFFFAOYSA-N 0 0 395.890 3.563 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000053636697 209214091 /nfs/dbraw/zinc/21/40/91/209214091.db2.gz PTRIMOFWACZAKW-GOSISDBHSA-N 0 0 392.484 3.931 10 0 GHAERN CC(=O)N1CCC(C(=O)NC[C@H]2CCCc3ccccc32)(c2ccccc2)CC1 ZINC000033004520 209191631 /nfs/dbraw/zinc/19/16/31/209191631.db2.gz DUHKATLTXSBYNJ-OAQYLSRUSA-N 0 0 390.527 3.803 10 0 GHAERN CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)C[C@](C)(O)[C@H]21 ZINC000252428566 211982353 /nfs/dbraw/zinc/98/23/53/211982353.db2.gz MRAJWLXFXCCZEB-XNZMWDKWSA-N 0 0 386.488 3.761 10 0 GHAERN CCN(CC)c1ncc2c(n1)CC[C@H](C(=O)NCc1ccc(F)cc1Cl)C2 ZINC000096310496 211333880 /nfs/dbraw/zinc/33/38/80/211333880.db2.gz DBWLNHUXGQIBMQ-ZDUSSCGKSA-N 0 0 390.890 3.537 10 0 GHAERN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 ZINC000096373072 211337871 /nfs/dbraw/zinc/33/78/71/211337871.db2.gz ZRTVZJJJZQVDGJ-AWEZNQCLSA-N 0 0 391.562 3.602 10 0 GHAERN O=C([O-])C1CC[NH+]([C@@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000095934644 211284749 /nfs/dbraw/zinc/28/47/49/211284749.db2.gz MRIXFXNPCSKGGI-SFHVURJKSA-N 0 0 389.293 3.925 10 0 GHAERN O=S(=O)(c1ccccc1)n1c(C(F)F)cc2c1nccc2Br ZINC000095936947 211284157 /nfs/dbraw/zinc/28/41/57/211284157.db2.gz SVKNBKMRCITRDP-UHFFFAOYSA-N 0 0 387.205 3.973 10 0 GHAERN CC[C@H]1CO[C@H](C)CN1C(=O)c1cc(Br)c(Br)s1 ZINC000095081965 211219091 /nfs/dbraw/zinc/21/90/91/211219091.db2.gz XCVWUUPXBWGBHF-SFYZADRCSA-N 0 0 397.132 3.913 10 0 GHAERN O=C(OCc1ccccc1)N1CC[C@]2(C1)COCc1c(Cl)nc(Cl)nc12 ZINC000091302668 211190609 /nfs/dbraw/zinc/19/06/09/211190609.db2.gz CCMIKOUZOUACHA-SFHVURJKSA-N 0 0 394.258 3.594 10 0 GHAERN O=C(CNc1ccc2ccccc2c1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 ZINC000074942225 211126625 /nfs/dbraw/zinc/12/66/25/211126625.db2.gz FPHCRBVZQKQXRP-OAQYLSRUSA-N 0 0 392.480 3.596 10 0 GHAERN COc1cc(C)ccc1OC[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000037607080 210744199 /nfs/dbraw/zinc/74/41/99/210744199.db2.gz TXERBYQKDVXYFD-HNNXBMFYSA-N 0 0 375.852 3.577 10 0 GHAERN O=C(NC1CC1)c1ccccc1OCC1CCN(C(=O)C2CCCCC2)CC1 ZINC000033310409 210642223 /nfs/dbraw/zinc/64/22/23/210642223.db2.gz XRADJNYPTZVCOW-UHFFFAOYSA-N 0 0 384.520 3.777 10 0 GHAERN O=C(NC1CCCCC1)[C@@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000022483592 210414708 /nfs/dbraw/zinc/41/47/08/210414708.db2.gz BDTKCCMWVFZVGY-QGZVFWFLSA-N 0 0 382.483 3.948 10 0 GHAERN CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1=O ZINC000020370004 210328898 /nfs/dbraw/zinc/32/88/98/210328898.db2.gz LAWSXKANHSLELR-HNNXBMFYSA-N 0 0 399.878 3.788 10 0 GHAERN O=C(Nc1ccc2c(c1)ncnc2N1CCOCC1)c1ccc(F)cc1Cl ZINC000065135121 136159574 /nfs/dbraw/zinc/15/95/74/136159574.db2.gz MBBPDRITPMLJNQ-UHFFFAOYSA-N 0 0 386.814 3.511 10 0 GHAERN C[C@H](CCc1ccco1)NC(=O)[C@H]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000065289534 136162624 /nfs/dbraw/zinc/16/26/24/136162624.db2.gz TWHXYVSUCLCMHG-MSOLQXFVSA-N 0 0 396.535 3.548 10 0 GHAERN O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000004929342 570371571 /nfs/dbraw/zinc/37/15/71/570371571.db2.gz KPZWWZYIRMMDGF-UHFFFAOYSA-N 0 0 378.409 3.766 10 0 GHAERN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)NC(C)C)c1 ZINC000006722512 570380975 /nfs/dbraw/zinc/38/09/75/570380975.db2.gz SHONTMLINNBKQN-UHFFFAOYSA-N 0 0 386.496 3.814 10 0 GHAERN CC[C@@H](C)NC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034708642 570543355 /nfs/dbraw/zinc/54/33/55/570543355.db2.gz IVVOPKRDLNHKQE-LSTHTHJFSA-N 0 0 382.479 3.986 10 0 GHAERN COc1ccc(-c2noc(N3CCC[C@@H](C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000006738659 570560092 /nfs/dbraw/zinc/56/00/92/570560092.db2.gz XKSVYOKUDUTHRE-OAHLLOKOSA-N 0 0 396.422 3.739 10 0 GHAERN O=C(NCc1cccnc1)[C@@H]1CC12CCN(Cc1nc3ccccc3s1)CC2 ZINC000012029477 570599562 /nfs/dbraw/zinc/59/95/62/570599562.db2.gz JLPUENZIDBWQEJ-KRWDZBQOSA-N 0 0 392.528 3.610 10 0 GHAERN COCCn1c2ncccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(C)cc2C)C1 ZINC000097944815 570753185 /nfs/dbraw/zinc/75/31/85/570753185.db2.gz UTFBXLVWVALIIK-QGZVFWFLSA-N 0 0 393.491 3.716 10 0 GHAERN CC(C)(C)OC(=O)N1CCN(Cc2noc3ccc(Br)cc32)CC1 ZINC000409430975 570773867 /nfs/dbraw/zinc/77/38/67/570773867.db2.gz XTHSZLOYXYZATM-UHFFFAOYSA-N 0 0 396.285 3.643 10 0 GHAERN O=C(NC[C@@H]1CCCO1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502461 570790264 /nfs/dbraw/zinc/79/02/64/570790264.db2.gz UEKUDHIQLPYKFG-IBGZPJMESA-N 0 0 392.434 3.935 10 0 GHAERN COc1ccc2cc([C@@H](C)C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)ccc2c1 ZINC000675058358 570903270 /nfs/dbraw/zinc/90/32/70/570903270.db2.gz BHUWUCGKKKGAIA-LSDHHAIUSA-N 0 0 386.492 3.981 10 0 GHAERN COc1ccc(SCCC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000104403917 837420988 /nfs/dbraw/zinc/42/09/88/837420988.db2.gz OOICGLXKKJLRDU-IBGZPJMESA-N 0 0 382.489 3.510 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000105018090 837499457 /nfs/dbraw/zinc/49/94/57/837499457.db2.gz AVSOFBWAGNVGQZ-GOSISDBHSA-N 0 0 380.492 3.887 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000110882270 834777492 /nfs/dbraw/zinc/77/74/92/834777492.db2.gz ZTLHKGOLCOAFMX-KRWDZBQOSA-N 0 0 397.504 3.560 10 0 GHAERN CSc1ccc(O[C@@H](C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000157742217 835079460 /nfs/dbraw/zinc/07/94/60/835079460.db2.gz LCGHNGCLEDTHIY-INIZCTEOSA-N 0 0 385.533 3.664 10 0 GHAERN Cc1c(Br)cccc1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000157762912 835081436 /nfs/dbraw/zinc/08/14/36/835081436.db2.gz PGOMNCZBHJPYRW-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000588583654 835097447 /nfs/dbraw/zinc/09/74/47/835097447.db2.gz DQXFWMKHQSTMKE-YVMONPNESA-N 0 0 377.419 3.852 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000158337877 835332699 /nfs/dbraw/zinc/33/26/99/835332699.db2.gz FWYNKVCSZMYGRI-HKUYNNGSSA-N 0 0 379.485 3.989 10 0 GHAERN O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000329603652 835340048 /nfs/dbraw/zinc/34/00/48/835340048.db2.gz GMFJCMMIWCRKIA-YRISNDGFSA-N 0 0 381.476 3.520 10 0 GHAERN CCc1nc(C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)nn1-c1ccccc1 ZINC000329662134 835556930 /nfs/dbraw/zinc/55/69/30/835556930.db2.gz OSHPEHADUCDNPF-INIZCTEOSA-N 0 0 395.532 3.923 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2CCO[C@@]3(CCc4ccccc43)C2)o1 ZINC000159147805 835740709 /nfs/dbraw/zinc/74/07/09/835740709.db2.gz KGTWIHUALILYRM-QHCPKHFHSA-N 0 0 375.472 3.643 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(C)cc(Br)c3o2)C[C@H]1C ZINC000188015081 835814863 /nfs/dbraw/zinc/81/48/63/835814863.db2.gz RFRNJMUJOMWTOU-DGCLKSJQSA-N 0 0 394.265 3.775 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CCO1 ZINC000246107874 835967932 /nfs/dbraw/zinc/96/79/32/835967932.db2.gz NELBBRWDIOVAPE-NMLBUPMWSA-N 0 0 384.520 3.534 10 0 GHAERN C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccc2c(c1)CCCC2 ZINC000151985191 835969362 /nfs/dbraw/zinc/96/93/62/835969362.db2.gz SCQGKXAMZAIAHT-UTKZUKDTSA-N 0 0 393.535 3.727 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 ZINC000245969255 844112689 /nfs/dbraw/zinc/11/26/89/844112689.db2.gz ZDWJDXZIJPTVOF-NWANDNLSSA-N 0 0 381.402 3.749 10 0 GHAERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1 ZINC000332711502 836486125 /nfs/dbraw/zinc/48/61/25/836486125.db2.gz BFYIKCWZMSIUJB-UOUZQGKXSA-N 0 0 375.900 3.538 10 0 GHAERN CC(C)(C)C[C@H]1CCCN1C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000102069618 837052398 /nfs/dbraw/zinc/05/23/98/837052398.db2.gz UIWUQLRFZGXMEO-DAWZGUTISA-N 0 0 395.613 3.731 10 0 GHAERN COC(=O)C12CCC(C(=O)N3CC4(CCOCC4)c4ccccc43)(CC1)CC2 ZINC000408061889 838275518 /nfs/dbraw/zinc/27/55/18/838275518.db2.gz MCWHDKPSEOSAAA-UHFFFAOYSA-N 0 0 383.488 3.595 10 0 GHAERN Cc1cc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)[nH]n1 ZINC000407976146 838362537 /nfs/dbraw/zinc/36/25/37/838362537.db2.gz JOMPONDDHUXXCV-SECBINFHSA-N 0 0 380.322 3.655 10 0 GHAERN CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328680303 838445841 /nfs/dbraw/zinc/44/58/41/838445841.db2.gz BYEAKJMCMJHBJO-BFUOFWGJSA-N 0 0 378.879 3.889 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)C(C)(C)c3ccccc3)C2)n1 ZINC000117044974 839539170 /nfs/dbraw/zinc/53/91/70/839539170.db2.gz DADDZUFCBUDWGH-VQIMIIECSA-N 0 0 383.540 3.683 10 0 GHAERN CCNC(=O)c1cc(NS(=O)(=O)/C=C\c2ccc(F)cc2)nc2ccccc21 ZINC000588387103 840029235 /nfs/dbraw/zinc/02/92/35/840029235.db2.gz XQVRDLUYVMJJRG-QXMHVHEDSA-N 0 0 399.447 3.536 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000011095976 840376605 /nfs/dbraw/zinc/37/66/05/840376605.db2.gz LEBWXVIUUSCVMI-UHFFFAOYSA-N 0 0 399.878 3.789 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccc(Br)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332684022 844537567 /nfs/dbraw/zinc/53/75/67/844537567.db2.gz LTZCHWUSFHKMDF-XZKMEQPCSA-N 0 0 393.325 3.642 10 0 GHAERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2nc(C)c(Br)s2)o1 ZINC000408086955 840444264 /nfs/dbraw/zinc/44/42/64/840444264.db2.gz AXXDJYFXEXVRKA-JTQLQIEISA-N 0 0 391.312 3.641 10 0 GHAERN c1ncn([C@@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)n1 ZINC000301269844 841158241 /nfs/dbraw/zinc/15/82/41/841158241.db2.gz QMYMOGWDHHRNRR-CQSZACIVSA-N 0 0 380.521 3.881 10 0 GHAERN Cc1cnn([C@H]2CCCN(c3ccc(C(=O)N4CCc5ccccc54)cn3)C2)c1 ZINC000301413212 841178824 /nfs/dbraw/zinc/17/88/24/841178824.db2.gz ZHHBRVRANYCXLB-FQEVSTJZSA-N 0 0 387.487 3.631 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1C ZINC000246446438 841366370 /nfs/dbraw/zinc/36/63/70/841366370.db2.gz MKMOWJODNRFRJG-IIDMSEBBSA-N 0 0 379.526 3.942 10 0 GHAERN Cc1cn(-c2ccc(Cl)cc2)nc1N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O ZINC000329264922 861220382 /nfs/dbraw/zinc/22/03/82/861220382.db2.gz FQLXDTMFGICYMB-XKQJLSEDSA-N 0 0 384.867 3.934 10 0 GHAERN CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2sc(C)nc2C)o1 ZINC000105632481 841735890 /nfs/dbraw/zinc/73/58/90/841735890.db2.gz ZWQGTWDBLIUOBE-UHFFFAOYSA-N 0 0 388.518 3.951 10 0 GHAERN CC1(C)CN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@@H]1c1cccs1 ZINC000329284066 861247030 /nfs/dbraw/zinc/24/70/30/861247030.db2.gz OIKODAFJJJAEJU-CRFBAAHOSA-N 0 0 381.563 3.856 10 0 GHAERN COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000003491660 842149901 /nfs/dbraw/zinc/14/99/01/842149901.db2.gz PYEGSQTWTPENQB-UHFFFAOYSA-N 0 0 397.504 3.834 10 0 GHAERN Cc1cc(Br)ccc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434774 842514472 /nfs/dbraw/zinc/51/44/72/842514472.db2.gz YEZKOISPSCOLRR-WAYWQWQTSA-N 0 0 383.286 3.568 10 0 GHAERN Cc1cccc2ncnc(N3CC[C@@H](Oc4cccnc4N4CCCC4)C3)c12 ZINC000329360780 861325136 /nfs/dbraw/zinc/32/51/36/861325136.db2.gz CGBJOFGPSGBFOS-QGZVFWFLSA-N 0 0 375.476 3.591 10 0 GHAERN COc1ccc(CCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1Br ZINC000127788594 842695654 /nfs/dbraw/zinc/69/56/54/842695654.db2.gz DBASZYQQCLZVOQ-DNVCBOLYSA-N 0 0 396.325 3.544 10 0 GHAERN O=C(c1cc(Br)cc2cccnc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000328882973 842791212 /nfs/dbraw/zinc/79/12/12/842791212.db2.gz MBRLZVYANCYYIH-LIRRHRJNSA-N 0 0 389.293 3.765 10 0 GHAERN Cc1cc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)n(Cc2ccccc2)n1 ZINC000162720028 842854914 /nfs/dbraw/zinc/85/49/14/842854914.db2.gz NNJIDODGESIRPZ-IBGZPJMESA-N 0 0 380.448 3.747 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cccc(C)c2Br)c2ccccc2)[nH]1 ZINC000162915906 842909778 /nfs/dbraw/zinc/90/97/78/842909778.db2.gz JNXOMTWQQRMIFH-MRXNPFEDSA-N 0 0 385.265 3.703 10 0 GHAERN C[C@H](CSc1ccc(F)cc1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162327418 843236686 /nfs/dbraw/zinc/23/66/86/843236686.db2.gz QPMDMSFVMRKKFL-OAHLLOKOSA-N 0 0 375.513 3.769 10 0 GHAERN Cc1nnc([C@H](N[C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)c2ccccc2)[nH]1 ZINC000162568066 843276171 /nfs/dbraw/zinc/27/61/71/843276171.db2.gz NMOPFKBWKOSLRF-RNODOKPDSA-N 0 0 391.454 3.582 10 0 GHAERN Cc1cccc(-c2cncc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c2)c1 ZINC000588450970 843282786 /nfs/dbraw/zinc/28/27/86/843282786.db2.gz ORISXPBLVHGSSU-WAYWQWQTSA-N 0 0 381.476 3.868 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Oc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000588452083 843307936 /nfs/dbraw/zinc/30/79/36/843307936.db2.gz IZXZTYBPQOPRPI-YPKPFQOOSA-N 0 0 379.437 3.842 10 0 GHAERN Cc1cc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)ccc1N(C)C ZINC000112418497 843349547 /nfs/dbraw/zinc/34/95/47/843349547.db2.gz SBILTHHCAHZUGH-UHFFFAOYSA-N 0 0 386.521 3.503 10 0 GHAERN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC(n2cncn2)CC1 ZINC000112280766 843351461 /nfs/dbraw/zinc/35/14/61/843351461.db2.gz MZRGSRITZNYXDB-UHFFFAOYSA-N 0 0 384.386 3.826 10 0 GHAERN CC[C@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000112444071 843355307 /nfs/dbraw/zinc/35/53/07/843355307.db2.gz UFKKRMZRESBKTC-AWEZNQCLSA-N 0 0 377.535 3.818 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000408393428 843439995 /nfs/dbraw/zinc/43/99/95/843439995.db2.gz MHQCGSISVCFUKK-INIZCTEOSA-N 0 0 383.471 3.856 10 0 GHAERN O=C(c1cc2cc(Br)ccc2[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121558106 843453984 /nfs/dbraw/zinc/45/39/84/843453984.db2.gz KNGDKWIEMWSALQ-FZKQIMNGSA-N 0 0 377.282 3.698 10 0 GHAERN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330297326 843564926 /nfs/dbraw/zinc/56/49/26/843564926.db2.gz GULOIIGWYANLPX-LIRRHRJNSA-N 0 0 388.464 3.641 10 0 GHAERN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408245617 843565990 /nfs/dbraw/zinc/56/59/90/843565990.db2.gz HCWAHUJJUAMIMY-IBGZPJMESA-N 0 0 389.908 3.514 10 0 GHAERN C[C@@H](NC(=O)NC[C@H]1CCc2nccn2C1)c1c(Cl)ccc(F)c1Cl ZINC000332932672 844663650 /nfs/dbraw/zinc/66/36/50/844663650.db2.gz HWKYFSZCEUMUCX-GHMZBOCLSA-N 0 0 385.270 3.952 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@@H]1CCCc2c[nH]nc21 ZINC000332962374 844914590 /nfs/dbraw/zinc/91/45/90/844914590.db2.gz MTNAXOZKZHSSBT-LSDHHAIUSA-N 0 0 375.270 3.536 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@H]1CCOC2(CCC2)C1 ZINC000332969675 845083791 /nfs/dbraw/zinc/08/37/91/845083791.db2.gz BIEZAWRHDLAICN-HOCLYGCPSA-N 0 0 379.298 3.837 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCO[C@@H](c2nccs2)C1 ZINC000332975380 845141238 /nfs/dbraw/zinc/14/12/38/845141238.db2.gz KILLIBDYEJTZSK-YNEHKIRRSA-N 0 0 377.432 3.595 10 0 GHAERN CN1CC[C@@H](CNC(=O)NCc2nnc(-c3ccccc3)s2)c2ccccc21 ZINC000151448412 845195552 /nfs/dbraw/zinc/19/55/52/845195552.db2.gz DUWAPXQGUGXVHV-INIZCTEOSA-N 0 0 393.516 3.628 10 0 GHAERN CSc1ccc(O[C@@H](C)C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000151571305 845251574 /nfs/dbraw/zinc/25/15/74/845251574.db2.gz RDMRFOPRLVNJIE-SCLBCKFNSA-N 0 0 382.489 3.508 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(CN4C(=O)CCCC4=O)cc3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333509497 845636129 /nfs/dbraw/zinc/63/61/29/845636129.db2.gz LUJKZLHTTVESEH-XPDMDZMYSA-N 0 0 395.503 3.626 10 0 GHAERN CCC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000151776535 845705262 /nfs/dbraw/zinc/70/52/62/845705262.db2.gz NREBYAPBOXCGDB-UHFFFAOYSA-N 0 0 393.531 3.938 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329558289 861653436 /nfs/dbraw/zinc/65/34/36/861653436.db2.gz CFBQUKCYDIQYMT-HZPDHXFCSA-N 0 0 377.554 3.585 10 0 GHAERN CC(C)c1ccc(Cn2nccc2NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000157884039 846237104 /nfs/dbraw/zinc/23/71/04/846237104.db2.gz ZUSBWDKWINZTHM-GOSISDBHSA-N 0 0 393.495 3.932 10 0 GHAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277476678 846331231 /nfs/dbraw/zinc/33/12/31/846331231.db2.gz JKTNZEJWNFAWPA-MSOLQXFVSA-N 0 0 393.915 3.611 10 0 GHAERN CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(CC3=CCCC3)no1)C2=O ZINC000329565823 861671554 /nfs/dbraw/zinc/67/15/54/861671554.db2.gz KPEQQDXWCXZICJ-UHFFFAOYSA-N 0 0 386.496 3.954 10 0 GHAERN CC(C)C1CCC(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000152225848 846451708 /nfs/dbraw/zinc/45/17/08/846451708.db2.gz DKDWITNQGZZXBQ-HLIUYOAVSA-N 0 0 384.517 3.804 10 0 GHAERN C[C@@]12CN(C(=O)c3ncoc3-c3ccc4c(c3)OCCO4)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333547297 846575518 /nfs/dbraw/zinc/57/55/18/846575518.db2.gz TWVRPFPQLWLDSK-VNSASSJJSA-N 0 0 380.444 3.621 10 0 GHAERN COc1ccc(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1Cl ZINC000119727122 846792644 /nfs/dbraw/zinc/79/26/44/846792644.db2.gz AKOXNNGMFRHIGK-JTQLQIEISA-N 0 0 387.789 3.512 10 0 GHAERN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333615558 847010057 /nfs/dbraw/zinc/01/00/57/847010057.db2.gz FNWHJMAAYFIXFT-SCLBCKFNSA-N 0 0 394.313 3.880 10 0 GHAERN Cc1cccc(C2(C(=O)N[C@@H]3CCCN(c4cccnn4)C3)CCCCC2)c1 ZINC000118669621 847033793 /nfs/dbraw/zinc/03/37/93/847033793.db2.gz KQBSEXDMIDVPAJ-HXUWFJFHSA-N 0 0 378.520 3.772 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)N(C)C3CCCCC3)C2)n1 ZINC000329605005 861753407 /nfs/dbraw/zinc/75/34/07/861753407.db2.gz HDKKEKOIXAKTAR-HNNXBMFYSA-N 0 0 385.599 3.955 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)C1 ZINC000329625126 861814208 /nfs/dbraw/zinc/81/42/08/861814208.db2.gz OLPHAHLTOHIESH-OALUTQOASA-N 0 0 394.519 3.540 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N[C@H](C)c1ccncc1OC)O[C@@H](C)C2 ZINC000588550625 848445385 /nfs/dbraw/zinc/44/53/85/848445385.db2.gz MBFLDKZVGAUZOX-NHQLZKDQSA-N 0 0 382.460 3.703 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)C1 ZINC000329679097 862011204 /nfs/dbraw/zinc/01/12/04/862011204.db2.gz VVCBDPHPJFBMIU-QGTPRVQTSA-N 0 0 391.581 3.751 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000155113009 849467529 /nfs/dbraw/zinc/46/75/29/849467529.db2.gz VXBPPBCWLZCKTI-FVNWOWOISA-N 0 0 389.931 3.784 10 0 GHAERN CCCCOc1ccc(C(=O)N2CCC(C(=O)Nc3nccs3)CC2)cc1 ZINC000044453885 849501440 /nfs/dbraw/zinc/50/14/40/849501440.db2.gz AFZBSVAMTCXSJU-UHFFFAOYSA-N 0 0 387.505 3.813 10 0 GHAERN CN(C(=O)/C=C\c1ccnc2ccccc12)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000588574338 849549477 /nfs/dbraw/zinc/54/94/77/849549477.db2.gz DOLBVZCQKSKEMQ-GJCOWUBNSA-N 0 0 385.467 3.508 10 0 GHAERN CC[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc(Cl)cc1 ZINC000155783515 849635111 /nfs/dbraw/zinc/63/51/11/849635111.db2.gz DAWUMURAPXFBMW-SFHVURJKSA-N 0 0 390.915 3.569 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCc3c[nH]c4c3cccc4C)CC2)n1 ZINC000156329083 849870630 /nfs/dbraw/zinc/87/06/30/849870630.db2.gz CGPNSTHSNQUTSO-UHFFFAOYSA-N 0 0 376.504 3.898 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1nc(C(C)(C)C)cs1 ZINC000159316383 862108794 /nfs/dbraw/zinc/10/87/94/862108794.db2.gz MNMGTTYBEXIBND-ZDUSSCGKSA-N 0 0 375.542 3.824 10 0 GHAERN CCC[C@@H](NC(=O)c1ccc(COC)o1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000101530754 851644336 /nfs/dbraw/zinc/64/43/36/851644336.db2.gz NNTAXMGDKDMHCG-LJQANCHMSA-N 0 0 399.491 3.563 10 0 GHAERN CC(C)(C)NC(=O)CN1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000101566975 851667046 /nfs/dbraw/zinc/66/70/46/851667046.db2.gz HWGLPMLVHJUGFU-HNNXBMFYSA-N 0 0 386.323 3.701 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccccc1Cl ZINC000101582160 851691722 /nfs/dbraw/zinc/69/17/22/851691722.db2.gz MBCSJXIRTOUKIC-UHFFFAOYSA-N 0 0 380.828 3.655 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000101734981 851858672 /nfs/dbraw/zinc/85/86/72/851858672.db2.gz LAFCAPNOVBIUJM-ZDUSSCGKSA-N 0 0 396.329 3.854 10 0 GHAERN CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000101746118 851865647 /nfs/dbraw/zinc/86/56/47/851865647.db2.gz ICDIRBJCXRTATQ-MRXNPFEDSA-N 0 0 375.513 3.878 10 0 GHAERN Cc1ccc(SCCNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000101775225 851899651 /nfs/dbraw/zinc/89/96/51/851899651.db2.gz AUQDAEWRLYTXDB-QGZVFWFLSA-N 0 0 391.581 3.669 10 0 GHAERN Cc1cccc(C(C)(C)CNC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 ZINC000102008985 852087922 /nfs/dbraw/zinc/08/79/22/852087922.db2.gz OEDZTSJQOGOZGG-SFHVURJKSA-N 0 0 387.568 3.855 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCC(C)(C)c2ccccc2F)CC1 ZINC000102018701 852117742 /nfs/dbraw/zinc/11/77/42/852117742.db2.gz VJVMMZIPCVTHEC-MRXNPFEDSA-N 0 0 391.531 3.686 10 0 GHAERN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329832825 862356966 /nfs/dbraw/zinc/35/69/66/862356966.db2.gz LBDFFOQFZTVLJB-KLZNWCGWSA-N 0 0 381.501 3.923 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853920 862375100 /nfs/dbraw/zinc/37/51/00/862375100.db2.gz SHBPTZPOSZXWOF-WMLDXEAASA-N 0 0 388.899 3.831 10 0 GHAERN Cc1nc([C@@H]2CCCN2c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2C)no1 ZINC000329862954 862381891 /nfs/dbraw/zinc/38/18/91/862381891.db2.gz YUVOVEYXNVXQJZ-FZMZJTMJSA-N 0 0 384.509 3.701 10 0 GHAERN O=C(c1nn(-c2cccc(F)c2)c2c1CCCC2)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333704243 852746332 /nfs/dbraw/zinc/74/63/32/852746332.db2.gz HNKLRUNBMVLYKK-QMHKHESXSA-N 0 0 397.494 3.657 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334027894 853499565 /nfs/dbraw/zinc/49/95/65/853499565.db2.gz IRPMBGDIYVMRCT-KSMMKXTCSA-N 0 0 396.409 3.927 10 0 GHAERN Cc1nc(C)n(C[C@H]2CN(C(=O)C3(C4CCCCC4)CCCCC3)CCO2)n1 ZINC000329977340 862472495 /nfs/dbraw/zinc/47/24/95/862472495.db2.gz GAHRMCJZOAZCQW-HXUWFJFHSA-N 0 0 388.556 3.653 10 0 GHAERN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000171663321 853572875 /nfs/dbraw/zinc/57/28/75/853572875.db2.gz LMGJDPLWEKNNAD-OAHLLOKOSA-N 0 0 387.896 3.841 10 0 GHAERN O=C([C@H](c1ccccc1)N1CCCCC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000171777491 853839402 /nfs/dbraw/zinc/83/94/02/853839402.db2.gz RNXGDBDNNOMBKE-HKUYNNGSSA-N 0 0 383.517 3.603 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCC(c4cc[nH]n4)CC3)c3c2CCCC3)cc1 ZINC000125295922 854271684 /nfs/dbraw/zinc/27/16/84/854271684.db2.gz VUNHMZDWAFQTMZ-UHFFFAOYSA-N 0 0 389.503 3.802 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CCO2)n1 ZINC000328671048 854498644 /nfs/dbraw/zinc/49/86/44/854498644.db2.gz GWVRFHCQJNYHHB-ZFWWWQNUSA-N 0 0 389.502 3.504 10 0 GHAERN CCOc1ccc(S(=O)(=O)N[C@@H]2CCC(=O)NC23CCC3)c2ccccc12 ZINC000328759772 854530662 /nfs/dbraw/zinc/53/06/62/854530662.db2.gz WZCSXVBUAZEYNT-GOSISDBHSA-N 0 0 388.489 3.558 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC3(CC3)C2)n1C[C@@H]1CCCO1 ZINC000328768109 854534134 /nfs/dbraw/zinc/53/41/34/854534134.db2.gz QDQZBWTZCQHUQQ-BZSNNMDCSA-N 0 0 388.556 3.756 10 0 GHAERN Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCOC2(C1)CCCCCC2 ZINC000328734813 854541774 /nfs/dbraw/zinc/54/17/74/854541774.db2.gz YSJGCHZTDYGXKD-IRXDYDNUSA-N 0 0 376.545 3.663 10 0 GHAERN O=C([C@@H]1CCCc2sccc21)N1CCOC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000328834492 854568648 /nfs/dbraw/zinc/56/86/48/854568648.db2.gz SAZLEYFWFRROIO-IAGOWNOFSA-N 0 0 395.484 3.818 10 0 GHAERN C[C@@H]1C[C@H](C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)CC(C)(C)C1 ZINC000328887061 854598228 /nfs/dbraw/zinc/59/82/28/854598228.db2.gz PDOJCMIAFXNSMX-AOIWGVFYSA-N 0 0 382.508 3.630 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000330120465 862591219 /nfs/dbraw/zinc/59/12/19/862591219.db2.gz JAHCAZSQYLKTHS-FXAWDEMLSA-N 0 0 375.428 3.551 10 0 GHAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000157788012 854926705 /nfs/dbraw/zinc/92/67/05/854926705.db2.gz CIAFCPVFBOEOPY-KPZWWZAWSA-N 0 0 377.282 3.698 10 0 GHAERN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@H](Cn2cncn2)C1 ZINC000127495690 854999457 /nfs/dbraw/zinc/99/94/57/854999457.db2.gz CIGRNIFRVAACKV-HNNXBMFYSA-N 0 0 378.501 3.658 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000330175357 862635441 /nfs/dbraw/zinc/63/54/41/862635441.db2.gz JAHCAZSQYLKTHS-YLJYHZDGSA-N 0 0 375.428 3.551 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCCc3c(O)cccc32)c(Cl)c1 ZINC000190215330 855444712 /nfs/dbraw/zinc/44/47/12/855444712.db2.gz ACRCWFHMWKCYKH-KRWDZBQOSA-N 0 0 387.867 3.947 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)C[C@H]1C ZINC000191025685 855560382 /nfs/dbraw/zinc/56/03/82/855560382.db2.gz PXAXVXIHBMOVPE-WBVHZDCISA-N 0 0 376.497 3.513 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)CCO2)o1 ZINC000165806685 856100213 /nfs/dbraw/zinc/10/02/13/856100213.db2.gz YTUSJTYYRIPRSU-LJQANCHMSA-N 0 0 380.448 3.996 10 0 GHAERN C[C@@H](NC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1cccc(Cl)c1 ZINC000103298202 856115526 /nfs/dbraw/zinc/11/55/26/856115526.db2.gz UTZRMAHVVRKASF-CYBMUJFWSA-N 0 0 397.857 3.520 10 0 GHAERN Cc1occc1-c1nnc(SCC2CCN(C(=O)CC(C)C)CC2)n1C ZINC000184969883 856165819 /nfs/dbraw/zinc/16/58/19/856165819.db2.gz FGXFXSOZOIEXOD-UHFFFAOYSA-N 0 0 376.526 3.760 10 0 GHAERN COc1ccccc1CCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000104710423 856373424 /nfs/dbraw/zinc/37/34/24/856373424.db2.gz QBYSECWPSCUFTK-UHFFFAOYSA-N 0 0 395.484 3.928 10 0 GHAERN Cc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2)cc1NC(=O)c1ccccc1 ZINC000104915302 856446853 /nfs/dbraw/zinc/44/68/53/856446853.db2.gz HLNLSSCETTVGIE-NRFANRHFSA-N 0 0 388.467 3.581 10 0 GHAERN CCOc1ccc(NC(=O)NC[C@@H](O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000105020788 856461887 /nfs/dbraw/zinc/46/18/87/856461887.db2.gz VWNPKWGHPGACRN-AWEZNQCLSA-N 0 0 382.382 3.829 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000131845945 857837398 /nfs/dbraw/zinc/83/73/98/857837398.db2.gz PGEAKTMHZNNBAJ-OALUTQOASA-N 0 0 398.503 3.809 10 0 GHAERN CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1 ZINC000105380981 859820876 /nfs/dbraw/zinc/82/08/76/859820876.db2.gz WFHJGLVOIMYPFX-YLJYHZDGSA-N 0 0 380.488 3.620 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@]34CCC(=O)N3c3ccccc3S4)C2)n1 ZINC000173064923 860435715 /nfs/dbraw/zinc/43/57/15/860435715.db2.gz AZZXDKGJTRTMPX-JLTOFOAXSA-N 0 0 399.541 3.787 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)C(C)(C)c3ccc4c(c3)OCCO4)C2)n1 ZINC000173067007 860435978 /nfs/dbraw/zinc/43/59/78/860435978.db2.gz VCRJSVHTGYALLR-HNNXBMFYSA-N 0 0 386.517 3.907 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000138770723 860467662 /nfs/dbraw/zinc/46/76/62/860467662.db2.gz CNKDUKSJDXXDKQ-XVSDVWIESA-N 0 0 393.325 3.773 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)CC[C@H]3Cc4ccccc4NC3=O)C2)n1 ZINC000173070043 860649687 /nfs/dbraw/zinc/64/96/87/860649687.db2.gz GFBUFHXQGHCKQP-IRXDYDNUSA-N 0 0 383.517 3.749 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000102537360 860755147 /nfs/dbraw/zinc/75/51/47/860755147.db2.gz HZYRNBHPRDXNPZ-MRXNPFEDSA-N 0 0 375.513 3.628 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000102558932 860773472 /nfs/dbraw/zinc/77/34/72/860773472.db2.gz OAOHSQIJKWLRSJ-INIZCTEOSA-N 0 0 395.438 3.668 10 0 GHAERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000102850106 860879362 /nfs/dbraw/zinc/87/93/62/860879362.db2.gz BWTNOXSUSBCNFC-MRXNPFEDSA-N 0 0 399.922 3.561 10 0 GHAERN COC[C@H](C)n1c(SCC(=O)N2CCCC2(C)C)nnc1-c1ccccc1 ZINC000102918413 860900630 /nfs/dbraw/zinc/90/06/30/860900630.db2.gz PAAKIZKAVUEMKB-HNNXBMFYSA-N 0 0 388.537 3.646 10 0 GHAERN O=C(Nc1ccccc1-n1cccn1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102953046 860917383 /nfs/dbraw/zinc/91/73/83/860917383.db2.gz IZRQSWCCKWTBNO-KRWDZBQOSA-N 0 0 376.416 3.970 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000329046598 860975439 /nfs/dbraw/zinc/97/54/39/860975439.db2.gz QBMNYFRDSBWCOS-VYDXJSESSA-N 0 0 393.409 3.749 10 0 GHAERN COC(=O)c1ccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C ZINC000103244337 863922295 /nfs/dbraw/zinc/92/22/95/863922295.db2.gz OPQVBYRTYQCZTK-UHFFFAOYSA-N 0 0 378.432 3.631 10 0 GHAERN CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103785466 864092090 /nfs/dbraw/zinc/09/20/90/864092090.db2.gz YPKQQQTUKMTFPP-QGZVFWFLSA-N 0 0 385.855 3.596 10 0 GHAERN CCc1c(C(=O)N(C)CCc2ccccc2OC)cnn1-c1ccc(F)cc1 ZINC000104458932 864326037 /nfs/dbraw/zinc/32/60/37/864326037.db2.gz FZKZKBWOOIWQBQ-UHFFFAOYSA-N 0 0 381.451 3.897 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Cc3ccccc3C(F)(F)F)C2)c1 ZINC000104381432 864331548 /nfs/dbraw/zinc/33/15/48/864331548.db2.gz GXZZKHDPIMLKOO-OAHLLOKOSA-N 0 0 392.421 3.899 10 0 GHAERN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1CCC[C@H](c2nccs2)C1 ZINC000173493231 865921744 /nfs/dbraw/zinc/92/17/44/865921744.db2.gz VZIQNLMPJPAZBQ-BBRMVZONSA-N 0 0 389.908 3.556 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)s1 ZINC000110941438 866663279 /nfs/dbraw/zinc/66/32/79/866663279.db2.gz POFUCMKESDOTBZ-UHFFFAOYSA-N 0 0 394.544 3.770 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114742107 866770072 /nfs/dbraw/zinc/77/00/72/866770072.db2.gz POUPZYRROMLLLL-LLVKDONJSA-N 0 0 376.425 3.730 10 0 GHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)o1 ZINC000173591382 866809582 /nfs/dbraw/zinc/80/95/82/866809582.db2.gz WFKXJEUMRYBKGD-DLBZAZTESA-N 0 0 388.489 3.743 10 0 GHAERN CC(C)Cn1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)c2ccccc2c1=O ZINC000170891101 882068964 /nfs/dbraw/zinc/06/89/64/882068964.db2.gz JMVPVHOLBURRFB-OAHLLOKOSA-N 0 0 396.516 3.529 10 0 GHAERN COc1ccc2sc(C(=O)N3CCO[C@@H](Cn4nc(C)cc4C)C3)c(C)c2c1 ZINC000173655564 867560852 /nfs/dbraw/zinc/56/08/52/867560852.db2.gz PVXISTRUOUPAAX-QGZVFWFLSA-N 0 0 399.516 3.573 10 0 GHAERN C/C(=C\C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1ccccc1Cl ZINC000171359109 882100651 /nfs/dbraw/zinc/10/06/51/882100651.db2.gz AAMRJPJCVMRJKR-ACCUITESSA-N 0 0 387.867 3.917 10 0 GHAERN COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)n1 ZINC000171640724 882119926 /nfs/dbraw/zinc/11/99/26/882119926.db2.gz ODTWERGSMNBBBT-HNNXBMFYSA-N 0 0 382.489 3.666 10 0 GHAERN FC(F)(F)c1cccc(-c2noc(CSc3ncnc4[nH]cnc43)n2)c1 ZINC000114094817 867896199 /nfs/dbraw/zinc/89/61/99/867896199.db2.gz APJUXOLMQJAWEA-UHFFFAOYSA-N 0 0 378.339 3.714 10 0 GHAERN O=C(N1CCC(Cc2ccccn2)CC1)C1(c2ccc(F)cc2)CCOCC1 ZINC000171610160 882145982 /nfs/dbraw/zinc/14/59/82/882145982.db2.gz HHILXZHDEONZMV-UHFFFAOYSA-N 0 0 382.479 3.750 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151596627 868043413 /nfs/dbraw/zinc/04/34/13/868043413.db2.gz KBXDZFKOQVFYDK-LIRRHRJNSA-N 0 0 391.309 3.627 10 0 GHAERN CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171900312 882148495 /nfs/dbraw/zinc/14/84/95/882148495.db2.gz VBPPHZVMLFEVQF-MRXNPFEDSA-N 0 0 380.492 3.765 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)n1 ZINC000171714692 882155917 /nfs/dbraw/zinc/15/59/17/882155917.db2.gz IENRSTBTJCJLGL-CQSZACIVSA-N 0 0 398.536 3.573 10 0 GHAERN COc1cc(Br)ccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171724095 882157404 /nfs/dbraw/zinc/15/74/04/882157404.db2.gz WLUDLAYEYGEXFZ-LLVKDONJSA-N 0 0 381.295 3.934 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)n1 ZINC000172132019 882171898 /nfs/dbraw/zinc/17/18/98/882171898.db2.gz CEHBAYJTWWLSRN-UNMCSNQZSA-N 0 0 394.519 3.578 10 0 GHAERN c1ccc(-c2nnc(CN3CCN(c4ccnc(-c5ccccc5)n4)CC3)o2)cc1 ZINC000171934290 882177807 /nfs/dbraw/zinc/17/78/07/882177807.db2.gz JJNVUKDYFDJTPD-UHFFFAOYSA-N 0 0 398.470 3.516 10 0 GHAERN CC[C@H](c1ccncc1)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172467490 882278493 /nfs/dbraw/zinc/27/84/93/882278493.db2.gz WOSIETLEZWAFNM-HXUWFJFHSA-N 0 0 383.467 3.683 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)NC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000172365654 882280121 /nfs/dbraw/zinc/28/01/21/882280121.db2.gz JEHIFZDDKAMNLM-ZBFHGGJFSA-N 0 0 399.457 3.609 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@@H](CCO)c3ccccc3)C2)cc1 ZINC000172638066 882281005 /nfs/dbraw/zinc/28/10/05/882281005.db2.gz ORQMTGQVNZTTSV-DUXKGJEZSA-N 0 0 382.504 3.749 10 0 GHAERN COc1ccc(OC)c([C@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000172634997 882281236 /nfs/dbraw/zinc/28/12/36/882281236.db2.gz YABDITPITJCMEV-GHTZIAJQSA-N 0 0 398.503 3.717 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1cc2ccccc2o1 ZINC000172698956 882286562 /nfs/dbraw/zinc/28/65/62/882286562.db2.gz YVVJLKUDMYFNNC-QAPCUYQASA-N 0 0 377.444 3.700 10 0 GHAERN Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1NC(=O)Nc1ccccc1 ZINC000125847953 869298485 /nfs/dbraw/zinc/29/84/85/869298485.db2.gz AHTVJRRERSYRHG-HXUWFJFHSA-N 0 0 392.503 3.949 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172523260 882292484 /nfs/dbraw/zinc/29/24/84/882292484.db2.gz VPOZBAKKRYOVHY-KRWDZBQOSA-N 0 0 378.432 3.579 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172597135 882297294 /nfs/dbraw/zinc/29/72/94/882297294.db2.gz DSPWQAXJTJZYHL-RTWAWAEBSA-N 0 0 380.463 3.612 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCC(Nc3ccccc3F)CC2)cs1 ZINC000172933111 882324588 /nfs/dbraw/zinc/32/45/88/882324588.db2.gz GYQRJYKZEULKGD-UHFFFAOYSA-N 0 0 376.501 3.732 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCc3cc(F)ccc3C2)c2ccccc2F)no1 ZINC000092315142 882330367 /nfs/dbraw/zinc/33/03/67/882330367.db2.gz IKHUMEBBSMSPQI-GOSISDBHSA-N 0 0 384.386 3.514 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(c2ccccc2)C2CCCC2)CC1 ZINC000172999898 882331035 /nfs/dbraw/zinc/33/10/35/882331035.db2.gz UFSMLWVNOTXDKZ-UHFFFAOYSA-N 0 0 377.488 3.910 10 0 GHAERN O=C(Nc1ccn(CCc2ccncc2)n1)N1CC=C(c2cccs2)CC1 ZINC000173614936 882385586 /nfs/dbraw/zinc/38/55/86/882385586.db2.gz BWAWUPDTYZBMLB-UHFFFAOYSA-N 0 0 379.489 3.904 10 0 GHAERN O=C(NCc1ccccc1)C1CCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000042958691 870278934 /nfs/dbraw/zinc/27/89/34/870278934.db2.gz OLXFAXJSEKAIFS-QFIPXVFZSA-N 0 0 391.515 3.802 10 0 GHAERN CCCc1nc(CSCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)no1 ZINC000173799237 882405265 /nfs/dbraw/zinc/40/52/65/882405265.db2.gz PCCRSWPPGWEJEG-INIZCTEOSA-N 0 0 375.494 3.628 10 0 GHAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c12 ZINC000046489718 870434411 /nfs/dbraw/zinc/43/44/11/870434411.db2.gz VNRZIEJCDGXOMT-IRXDYDNUSA-N 0 0 396.516 3.789 10 0 GHAERN Cn1cc(Br)cc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000173822135 882408379 /nfs/dbraw/zinc/40/83/79/882408379.db2.gz GDNVPDGXPPYDGK-UHFFFAOYSA-N 0 0 380.261 3.643 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053961702 870572356 /nfs/dbraw/zinc/57/23/56/870572356.db2.gz LZMHGOVYIHPOLA-QZTJIDSGSA-N 0 0 380.444 3.828 10 0 GHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3nn(-c4ccc(C)cc4)c4c3CCC4)C2)c1 ZINC000109686962 870647690 /nfs/dbraw/zinc/64/76/90/870647690.db2.gz JJOKOCCFDCHPSB-LJQANCHMSA-N 0 0 389.503 3.652 10 0 GHAERN CC[C@@H](NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1cccs1 ZINC000174210074 882435684 /nfs/dbraw/zinc/43/56/84/882435684.db2.gz WCBIPQXMWPIJCT-MRXNPFEDSA-N 0 0 385.489 3.924 10 0 GHAERN COc1ccccc1-c1nnc(CNC2(c3noc(C4CC4)n3)CCCC2)o1 ZINC000174245257 882438732 /nfs/dbraw/zinc/43/87/32/882438732.db2.gz LFYXFNOYRGCEFU-UHFFFAOYSA-N 0 0 381.436 3.565 10 0 GHAERN Cc1cccc(NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1Cl ZINC000174932123 882508139 /nfs/dbraw/zinc/50/81/39/882508139.db2.gz SHBPRYULNNFGOX-UHFFFAOYSA-N 0 0 389.887 3.649 10 0 GHAERN CC(C)CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000175279778 882564339 /nfs/dbraw/zinc/56/43/39/882564339.db2.gz IFQYWWUCKYIBLD-UHFFFAOYSA-N 0 0 395.503 3.997 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(Br)cc1Cl ZINC000103444035 871998860 /nfs/dbraw/zinc/99/88/60/871998860.db2.gz FLPIFTQXOPLAME-UHFFFAOYSA-N 0 0 391.693 3.747 10 0 GHAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000114935597 872114072 /nfs/dbraw/zinc/11/40/72/872114072.db2.gz APQITABHMSHEMX-YOEHRIQHSA-N 0 0 391.924 3.659 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(N(C)c4ccccc4)CC3)nc21 ZINC000175747472 882621316 /nfs/dbraw/zinc/62/13/16/882621316.db2.gz CUNWLFFEGJBJOB-UHFFFAOYSA-N 0 0 376.504 3.931 10 0 GHAERN COc1ccc(CCC(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102143393 872640491 /nfs/dbraw/zinc/64/04/91/872640491.db2.gz IGJPMRXSGWGPDS-SFHVURJKSA-N 0 0 385.460 3.625 10 0 GHAERN CCc1ccc(OCC(=O)OC[C@H]2CCCN(C(=O)c3ccc(C)o3)C2)cc1 ZINC000102142811 872640630 /nfs/dbraw/zinc/64/06/30/872640630.db2.gz IUXDULZLWCUYIE-SFHVURJKSA-N 0 0 385.460 3.625 10 0 GHAERN CSc1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cc1Cl ZINC000176116019 882669684 /nfs/dbraw/zinc/66/96/84/882669684.db2.gz LEZRHXVMUDMCEL-UHFFFAOYSA-N 0 0 377.901 3.642 10 0 GHAERN CC(C)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000176086642 882664869 /nfs/dbraw/zinc/66/48/69/882664869.db2.gz BPDNLTGBHPFOCZ-CABCVRRESA-N 0 0 384.517 3.758 10 0 GHAERN C=C1c2ccccc2C(=O)N1CC(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000102378912 872984608 /nfs/dbraw/zinc/98/46/08/872984608.db2.gz DPRIOAWCJSFHEZ-UHFFFAOYSA-N 0 0 390.483 3.603 10 0 GHAERN CN(C(=O)CNC1(c2noc(C3CC3)n2)CCCC1)[C@H]1CCCc2ccccc21 ZINC000174246428 873089812 /nfs/dbraw/zinc/08/98/12/873089812.db2.gz DBBBTADULIVVBZ-IBGZPJMESA-N 0 0 394.519 3.842 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CSc3nc4ccccc4s3)CC2)n1 ZINC000116669681 873614671 /nfs/dbraw/zinc/61/46/71/873614671.db2.gz CBSVQRJFXUNKMO-UHFFFAOYSA-N 0 0 398.557 3.877 10 0 GHAERN COc1cccc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)n1 ZINC000102867017 873730847 /nfs/dbraw/zinc/73/08/47/873730847.db2.gz IAGUDSKNJWSOIR-UHFFFAOYSA-N 0 0 399.834 3.827 10 0 GHAERN Cn1ccnc1-c1cccc(NC(=O)C(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000176954368 882752996 /nfs/dbraw/zinc/75/29/96/882752996.db2.gz LULLTWKXAMVRCN-QGZVFWFLSA-N 0 0 396.516 3.991 10 0 GHAERN Cn1c(=S)n(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)nc1-c1ccco1 ZINC000102921262 873881308 /nfs/dbraw/zinc/88/13/08/873881308.db2.gz TWPJDJWBGXCLJP-CQSZACIVSA-N 0 0 384.461 3.734 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCOCC1)N1CC=C(c2cccs2)CC1 ZINC000118010664 874317328 /nfs/dbraw/zinc/31/73/28/874317328.db2.gz JMCONYCKHIMUIQ-UHFFFAOYSA-N 0 0 397.500 3.542 10 0 GHAERN O=C(Nc1cc(F)ccc1OC(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000177819639 882829895 /nfs/dbraw/zinc/82/98/95/882829895.db2.gz LLKVIVJKVQBQLF-UHFFFAOYSA-N 0 0 398.406 3.980 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccc(-c2ccncc2)cc1 ZINC000177586117 882835254 /nfs/dbraw/zinc/83/52/54/882835254.db2.gz LHKUGLIXZJRLAB-LAUBAEHRSA-N 0 0 375.476 3.880 10 0 GHAERN O=C(Nc1cccc(OCCF)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000177652925 882838761 /nfs/dbraw/zinc/83/87/61/882838761.db2.gz FLZLVNWJFULHBG-UHFFFAOYSA-N 0 0 376.453 3.587 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)C1CCN(C(=O)c2cccs2)CC1 ZINC000177976682 882851893 /nfs/dbraw/zinc/85/18/93/882851893.db2.gz UYKHOIRIHGLOAU-UHFFFAOYSA-N 0 0 382.485 3.758 10 0 GHAERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000122479250 874702731 /nfs/dbraw/zinc/70/27/31/874702731.db2.gz BYTDAUJGQHATSB-YWZLYKJASA-N 0 0 384.505 3.787 10 0 GHAERN COc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000104907340 874846283 /nfs/dbraw/zinc/84/62/83/874846283.db2.gz VTNZXMTVYNDKFE-NRFANRHFSA-N 0 0 391.467 3.608 10 0 GHAERN CN(C)c1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c(C(F)(F)F)c1 ZINC000178173093 882871085 /nfs/dbraw/zinc/87/10/85/882871085.db2.gz ANNBXYCAKRIFRH-HNNXBMFYSA-N 0 0 394.397 3.852 10 0 GHAERN CO[C@@H](C)c1noc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000178145470 882889579 /nfs/dbraw/zinc/88/95/79/882889579.db2.gz GEYBCKDIYJQMJC-FORDYWAESA-N 0 0 381.841 3.534 10 0 GHAERN O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000178463221 882894543 /nfs/dbraw/zinc/89/45/43/882894543.db2.gz FPVSBXKZKXSKTL-QGZVFWFLSA-N 0 0 399.458 3.598 10 0 GHAERN Cc1nc([C@@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2ccccc2F)no1 ZINC000120053528 875422165 /nfs/dbraw/zinc/42/21/65/875422165.db2.gz QXQHJRSLQANHOA-SFHVURJKSA-N 0 0 383.427 3.803 10 0 GHAERN Cc1ccn2ncc(C(=O)Nc3cccc(C(=O)OCc4ccccc4)c3)c2n1 ZINC000106006206 875702800 /nfs/dbraw/zinc/70/28/00/875702800.db2.gz OZMXRZBRHYFENP-UHFFFAOYSA-N 0 0 386.411 3.647 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(Cc3ccccn3)CC2)n1 ZINC000179419493 882969448 /nfs/dbraw/zinc/96/94/48/882969448.db2.gz WIBYAAHSSCIJFJ-UHFFFAOYSA-N 0 0 376.451 3.967 10 0 GHAERN O=C(c1cccc(OCc2ccccc2)c1)N1CCC(N2CCCCC2=O)CC1 ZINC000120368576 875957264 /nfs/dbraw/zinc/95/72/64/875957264.db2.gz AGKCTULANOJHFQ-UHFFFAOYSA-N 0 0 392.499 3.883 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)NCCCCCC(=O)OC(C)(C)C)CCO2)o1 ZINC000179238296 882981972 /nfs/dbraw/zinc/98/19/72/882981972.db2.gz CUIZUHSQNKSFNU-KRWDZBQOSA-N 0 0 380.485 3.573 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000128534145 876042425 /nfs/dbraw/zinc/04/24/25/876042425.db2.gz KJAKAVMLDKEQPQ-SNVBAGLBSA-N 0 0 394.349 3.840 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000179475057 883002281 /nfs/dbraw/zinc/00/22/81/883002281.db2.gz BNMFJGQGXIDBHA-UHFFFAOYSA-N 0 0 395.488 3.518 10 0 GHAERN C[C@H]1CCCN(C(=O)C2CCN(C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000179483985 883002846 /nfs/dbraw/zinc/00/28/46/883002846.db2.gz ZPXKTEPRFORLNH-INIZCTEOSA-N 0 0 395.507 3.579 10 0 GHAERN C[C@H](Cc1nc2ccccc2s1)NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000120765186 876257907 /nfs/dbraw/zinc/25/79/07/876257907.db2.gz RPLBAKJNNJWQFC-PXAZEXFGSA-N 0 0 397.525 3.847 10 0 GHAERN Cc1nnc([C@H](NC(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000180242811 883070131 /nfs/dbraw/zinc/07/01/31/883070131.db2.gz QPNJBYIEULUMFA-ORAYPTAESA-N 0 0 396.878 3.881 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)Cc3csc(-c4cccnc4)n3)CC2)nc1 ZINC000180860329 883103374 /nfs/dbraw/zinc/10/33/74/883103374.db2.gz VXAXLFIVKYSLND-UHFFFAOYSA-N 0 0 394.500 3.521 10 0 GHAERN C=C1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000122150518 878407509 /nfs/dbraw/zinc/40/75/09/878407509.db2.gz LGHCEGHESXBMHD-QAPCUYQASA-N 0 0 376.456 3.526 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000122360235 878772456 /nfs/dbraw/zinc/77/24/56/878772456.db2.gz COSRVHDJGBQKLJ-QRWLVFNGSA-N 0 0 378.472 3.622 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc4c(c3)CCN4C(C)=O)C2)cc1 ZINC000122360779 878774382 /nfs/dbraw/zinc/77/43/82/878774382.db2.gz COSRVHDJGBQKLJ-MGPUTAFESA-N 0 0 378.472 3.622 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2nc3ccc(OC)cc3s2)C1 ZINC000132626192 878785921 /nfs/dbraw/zinc/78/59/21/878785921.db2.gz SAWKSMLHUNRQFM-CYBMUJFWSA-N 0 0 385.493 3.933 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000122750903 879398084 /nfs/dbraw/zinc/39/80/84/879398084.db2.gz PSELOIKEPIQNJT-BEFAXECRSA-N 0 0 378.472 3.606 10 0 GHAERN COc1ccc(Br)cc1/C=C/C(=O)N1CCCC[C@H]1c1ncon1 ZINC000123273998 880175499 /nfs/dbraw/zinc/17/54/99/880175499.db2.gz YBKRBTHGQOVENL-GPAKFWEMSA-N 0 0 392.253 3.608 10 0 GHAERN Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(CSC(F)F)o3)CC2)no1 ZINC000123400037 880308844 /nfs/dbraw/zinc/30/88/44/880308844.db2.gz UPQSOWFERIXQGQ-UHFFFAOYSA-N 0 0 385.436 3.883 10 0 GHAERN CC(C)Oc1cccc(CN(C)C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000123406364 880400041 /nfs/dbraw/zinc/40/00/41/880400041.db2.gz INSUOGBUXYLUHT-OAQYLSRUSA-N 0 0 395.503 3.522 10 0 GHAERN COc1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2C)CC1 ZINC000026100770 880418547 /nfs/dbraw/zinc/41/85/47/880418547.db2.gz FVACCNFBGOTUEJ-VAWYXSNFSA-N 0 0 378.472 3.894 10 0 GHAERN COc1ccc(C(=O)N2CC=C(c3cccs3)CC2)nc1Br ZINC000181143820 883150322 /nfs/dbraw/zinc/15/03/22/883150322.db2.gz MWMDKXUNMHVEKQ-UHFFFAOYSA-N 0 0 379.279 3.844 10 0 GHAERN Cc1cc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)cnc1Br ZINC000182453610 883203875 /nfs/dbraw/zinc/20/38/75/883203875.db2.gz OHKFZNYWMAJJPJ-LBPRGKRZSA-N 0 0 393.289 3.524 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccncc1 ZINC000182404928 883218976 /nfs/dbraw/zinc/21/89/76/883218976.db2.gz PRVLLVKQOCBCJP-GUYCJALGSA-N 0 0 379.382 3.945 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N[C@H]3CCO[C@H]3c3ccc(Cl)cc3)CC2)nc1 ZINC000182493035 883223223 /nfs/dbraw/zinc/22/32/23/883223223.db2.gz DLJVCTDXHNYVSP-FPOVZHCZSA-N 0 0 399.922 3.906 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N[C@@H](C)Cc3ccccc3F)C2)c1 ZINC000102449662 883256932 /nfs/dbraw/zinc/25/69/32/883256932.db2.gz FKIPHMZCADXXSY-IRXDYDNUSA-N 0 0 385.483 3.591 10 0 GHAERN CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183075785 883258723 /nfs/dbraw/zinc/25/87/23/883258723.db2.gz NXRXEWCLZFGNJE-ZDUSSCGKSA-N 0 0 383.374 3.981 10 0 GHAERN CCOc1ccc(C(C)=O)cc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000183460363 883266140 /nfs/dbraw/zinc/26/61/40/883266140.db2.gz IAYNTABWVCZDRI-UHFFFAOYSA-N 0 0 386.536 3.903 10 0 GHAERN CC[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000184014161 883297719 /nfs/dbraw/zinc/29/77/19/883297719.db2.gz ZQFWSLCYMHADOA-XFQXTVEOSA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(F)c(C)c2)c2ccc(F)cc2C1 ZINC000184025495 883300074 /nfs/dbraw/zinc/30/00/74/883300074.db2.gz VELCREDNUXZVOC-HXUWFJFHSA-N 0 0 387.430 3.566 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)N1CCCN(c2ccccn2)CC1 ZINC000184038274 883302345 /nfs/dbraw/zinc/30/23/45/883302345.db2.gz DZDWVBCZUXYQAG-UHFFFAOYSA-N 0 0 379.489 3.949 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCCN(c2ccccn2)CC1 ZINC000184038749 883302389 /nfs/dbraw/zinc/30/23/89/883302389.db2.gz TVQCVEIJIUQVOC-UHFFFAOYSA-N 0 0 394.475 3.867 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCCCC2(C)C)c2ccc(F)cc2C1 ZINC000184036571 883303227 /nfs/dbraw/zinc/30/32/27/883303227.db2.gz OBVMWBQWVSYICZ-RTBURBONSA-N 0 0 375.488 3.887 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184077882 883315636 /nfs/dbraw/zinc/31/56/36/883315636.db2.gz LXINZWWXASWTIG-UHFFFAOYSA-N 0 0 389.297 3.897 10 0 GHAERN CCn1cc(C(=O)Nc2cccc(-c3ncon3)c2)c(=O)c2cc(Cl)ccc21 ZINC000184138975 883322685 /nfs/dbraw/zinc/32/26/85/883322685.db2.gz QYHJIKQINHUZEL-UHFFFAOYSA-N 0 0 394.818 3.977 10 0 GHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCSC[C@@H]1c1nccs1 ZINC000184157763 883325622 /nfs/dbraw/zinc/32/56/22/883325622.db2.gz VGMHVZUYHQUYPV-ZNNBYXKUSA-N 0 0 382.514 3.659 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2Cn2ccnc2C)c1C ZINC000184059720 883332190 /nfs/dbraw/zinc/33/21/90/883332190.db2.gz OHXHJHUJUNKPKC-AWEZNQCLSA-N 0 0 390.871 3.636 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184635764 883368528 /nfs/dbraw/zinc/36/85/28/883368528.db2.gz OSWPNHIKLKHWHA-NHCUHLMSSA-N 0 0 399.441 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccccc2N(C)C)c2ccc(F)cc2C1 ZINC000184845416 883386254 /nfs/dbraw/zinc/38/62/54/883386254.db2.gz FDQQHKFRBPKUIA-SFHVURJKSA-N 0 0 384.455 3.507 10 0 GHAERN Cc1nc(C(=O)NC2CCN(c3cccc(C)n3)CC2)c(-c2ccccc2)o1 ZINC000184912846 883402969 /nfs/dbraw/zinc/40/29/69/883402969.db2.gz DUIADFOGRMEDAE-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN CCN(C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C1CCCCC1 ZINC000185247774 883429397 /nfs/dbraw/zinc/42/93/97/883429397.db2.gz GJRXLQOIGYDWLG-HXUWFJFHSA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2c3ccccc3C[C@@H]2C)c2ccc(F)cc2C1 ZINC000185243400 883429541 /nfs/dbraw/zinc/42/95/41/883429541.db2.gz MBLPAHWTWCSXKB-VBKZILBWSA-N 0 0 381.451 3.780 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)o1 ZINC000185371822 883442922 /nfs/dbraw/zinc/44/29/22/883442922.db2.gz IGWCRUDOIMTGMJ-ZBFQTADNSA-N 0 0 378.472 3.837 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cnc(Cl)cc2C)c2ccc(F)cc2C1 ZINC000185457026 883457991 /nfs/dbraw/zinc/45/79/91/883457991.db2.gz WOWOJOVLTVGWTG-INIZCTEOSA-N 0 0 390.846 3.798 10 0 GHAERN COc1cccc([C@@H](C)C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185504674 883547457 /nfs/dbraw/zinc/54/74/57/883547457.db2.gz VBPYVGZUFBFDLN-SZNDQCEHSA-N 0 0 384.451 3.548 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2SCCc3ccccc32)c2ccc(F)cc2C1 ZINC000185513857 883548898 /nfs/dbraw/zinc/54/88/98/883548898.db2.gz SDEPZHPPWPVNNV-LEWJYISDSA-N 0 0 398.503 3.766 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)COc2c(C)cc(C)cc2C)c2ccc(F)cc2C1 ZINC000185516624 883548946 /nfs/dbraw/zinc/54/89/46/883548946.db2.gz VVXSKQJEZHRQMX-OAQYLSRUSA-N 0 0 398.478 3.739 10 0 GHAERN Cn1cc(CNCc2c(F)cc(Br)cc2F)c(-c2ccncc2)n1 ZINC000186548805 883662658 /nfs/dbraw/zinc/66/26/58/883662658.db2.gz IKHVVEMHQBLPMC-UHFFFAOYSA-N 0 0 393.235 3.813 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186617355 883675125 /nfs/dbraw/zinc/67/51/25/883675125.db2.gz KZYPVXPHBGOZCQ-QZTJIDSGSA-N 0 0 386.496 3.865 10 0 GHAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186625023 883677256 /nfs/dbraw/zinc/67/72/56/883677256.db2.gz RXPOCCGUZYDBCJ-UHFFFAOYSA-N 0 0 378.354 3.745 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3ccc(Oc4ccccc4)o3)CC2)n1 ZINC000186768271 883711131 /nfs/dbraw/zinc/71/11/31/883711131.db2.gz ALVMJIYPNSBTFO-UHFFFAOYSA-N 0 0 382.420 3.541 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000187811131 883809046 /nfs/dbraw/zinc/80/90/46/883809046.db2.gz XTCBHTMRILBHEL-LJQANCHMSA-N 0 0 396.535 3.740 10 0 GHAERN CC[C@H](CN(CC)C(=O)NC1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000188317909 883835154 /nfs/dbraw/zinc/83/51/54/883835154.db2.gz PVSYPLDKSXCSDC-GOSISDBHSA-N 0 0 381.524 3.671 10 0 GHAERN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@H]1CCCn2ccnc21 ZINC000188742887 883865174 /nfs/dbraw/zinc/86/51/74/883865174.db2.gz IZSWMASIQNAGNH-HNNXBMFYSA-N 0 0 381.373 3.766 10 0 GHAERN O=C(C1CCN(Cc2ccn(-c3ccccc3F)n2)CC1)N1CCCCCC1 ZINC000188798027 883873297 /nfs/dbraw/zinc/87/32/97/883873297.db2.gz NJCKWAKMPYQFFS-UHFFFAOYSA-N 0 0 384.499 3.626 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1cc3c(cccc3OC(F)F)[nH]1)[C@H]2C ZINC000188770702 883881161 /nfs/dbraw/zinc/88/11/61/883881161.db2.gz BGYBELBADLBUSG-NSHDSACASA-N 0 0 389.406 3.701 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000189216415 883914649 /nfs/dbraw/zinc/91/46/49/883914649.db2.gz ISMYXUTYQQIFKP-UHFFFAOYSA-N 0 0 393.447 3.550 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000189638034 883974956 /nfs/dbraw/zinc/97/49/56/883974956.db2.gz MNZZJVWFKCHKPI-OAHLLOKOSA-N 0 0 378.908 3.912 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000189901324 884021505 /nfs/dbraw/zinc/02/15/05/884021505.db2.gz ACQTWXNQLWMSIL-HNNXBMFYSA-N 0 0 375.432 3.782 10 0 GHAERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000189966114 884027631 /nfs/dbraw/zinc/02/76/31/884027631.db2.gz WWHUKCIMYSYULP-LSDHHAIUSA-N 0 0 390.434 3.609 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000190036346 884044629 /nfs/dbraw/zinc/04/46/29/884044629.db2.gz MMQBHCOKYANEDQ-IEBWSBKVSA-N 0 0 386.496 3.904 10 0 GHAERN Cc1cc(N2C[C@H](c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2=O)ccc1F ZINC000190368341 884071117 /nfs/dbraw/zinc/07/11/17/884071117.db2.gz KPQUYAFAJLZQAE-XUWXXGDYSA-N 0 0 387.455 3.956 10 0 GHAERN Cc1c(C(=O)N2CCC(Nc3nccs3)CC2)cnn1-c1ccccc1C ZINC000190441281 884081624 /nfs/dbraw/zinc/08/16/24/884081624.db2.gz GOQCVDMZVOHWTB-UHFFFAOYSA-N 0 0 381.505 3.662 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(Nc2nccs2)CC1 ZINC000190440491 884081830 /nfs/dbraw/zinc/08/18/30/884081830.db2.gz WSPHSROTKSTPEB-UHFFFAOYSA-N 0 0 382.489 3.834 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000190618787 884103856 /nfs/dbraw/zinc/10/38/56/884103856.db2.gz ZPHFITNYOBUFCM-INIZCTEOSA-N 0 0 381.398 3.553 10 0 GHAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000190701584 884113862 /nfs/dbraw/zinc/11/38/62/884113862.db2.gz OVXFMMHZKAYPSU-KRWDZBQOSA-N 0 0 380.488 3.991 10 0 GHAERN O=C(CSc1nnc2ccccn21)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191537600 884198336 /nfs/dbraw/zinc/19/83/36/884198336.db2.gz CFRFXHAGGPZXCM-CYBMUJFWSA-N 0 0 388.443 3.506 10 0 GHAERN CCn1cc([C@@H]2CN(Cc3sc(N(C)C)nc3-c3ccccc3)CCO2)cn1 ZINC000191709729 884205799 /nfs/dbraw/zinc/20/57/99/884205799.db2.gz RHUKYOIZEOJSMB-SFHVURJKSA-N 0 0 397.548 3.666 10 0 GHAERN CCOC(=O)c1csc([C@H]2CCCN2Cc2c(C)nc3sc(C)cn23)n1 ZINC000191825347 884222420 /nfs/dbraw/zinc/22/24/20/884222420.db2.gz OVILOGLNQHUMRW-CQSZACIVSA-N 0 0 390.534 3.983 10 0 GHAERN O=C(NCC1CCC2(CC1)OCCO2)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000192334780 884252559 /nfs/dbraw/zinc/25/25/59/884252559.db2.gz IEUJNHLBZAJBOL-FQEVSTJZSA-N 0 0 399.466 3.543 10 0 GHAERN O=C(NCC1CCC2(CC1)OCCO2)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000192334775 884253171 /nfs/dbraw/zinc/25/31/71/884253171.db2.gz IEUJNHLBZAJBOL-HXUWFJFHSA-N 0 0 399.466 3.543 10 0 GHAERN CC(C)c1c(NC(=O)Nc2cccnc2-n2cncn2)cnn1-c1ccccc1 ZINC000192210563 884258057 /nfs/dbraw/zinc/25/80/57/884258057.db2.gz KJMIFEQFRCLMEI-UHFFFAOYSA-N 0 0 388.435 3.615 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000192485274 884264538 /nfs/dbraw/zinc/26/45/38/884264538.db2.gz PQVHRUHSAJHRET-UHFFFAOYSA-N 0 0 394.471 3.535 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)NCC3CCC4(CC3)OCCO4)CC2)c1 ZINC000192624936 884271170 /nfs/dbraw/zinc/27/11/70/884271170.db2.gz BKJFDJZFYBFXNB-UHFFFAOYSA-N 0 0 387.524 3.514 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000192600734 884285446 /nfs/dbraw/zinc/28/54/46/884285446.db2.gz ITGGKTYCJQWJFC-CYBMUJFWSA-N 0 0 387.390 3.742 10 0 GHAERN Cc1c(NC(=O)N2CC=C(c3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C ZINC000193236814 884332436 /nfs/dbraw/zinc/33/24/36/884332436.db2.gz HSBPYLVDBMLHJG-UHFFFAOYSA-N 0 0 388.471 3.806 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H]1CCSc2c(F)cccc21 ZINC000193250507 884333450 /nfs/dbraw/zinc/33/34/50/884333450.db2.gz CEYBTAOKXRYZPY-DYVFJYSZSA-N 0 0 385.464 3.788 10 0 GHAERN CN(Cc1nc2ccccc2s1)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000193263263 884334864 /nfs/dbraw/zinc/33/48/64/884334864.db2.gz TXWVXSBGUBDLRY-AWEZNQCLSA-N 0 0 380.473 3.564 10 0 GHAERN CCc1cc(NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000102784851 884452759 /nfs/dbraw/zinc/45/27/59/884452759.db2.gz KOWRVZVMTNSPJZ-CQSZACIVSA-N 0 0 381.263 3.522 10 0 GHAERN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1cnn(-c2ccccc2)c1 ZINC000104109678 885292242 /nfs/dbraw/zinc/29/22/42/885292242.db2.gz WDFSJBBJTKQTEK-UHFFFAOYSA-N 0 0 396.299 3.799 10 0 GHAERN COc1cccc2c1CCN(C(=O)Nc1ccc(N3CCO[C@H](C)C3)cc1)CC2 ZINC000193569970 885626925 /nfs/dbraw/zinc/62/69/25/885626925.db2.gz OSMQWLRWYVKMGP-QGZVFWFLSA-N 0 0 395.503 3.553 10 0 GHAERN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014909820 885798409 /nfs/dbraw/zinc/79/84/09/885798409.db2.gz RUPUCAWUQRLCMB-KRWDZBQOSA-N 0 0 382.479 3.815 10 0 GHAERN COc1ccc(C(=O)CCC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1 ZINC000101531713 885943982 /nfs/dbraw/zinc/94/39/82/885943982.db2.gz WMDINYIBRUBBLL-UHFFFAOYSA-N 0 0 396.418 3.811 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179031 885987119 /nfs/dbraw/zinc/98/71/19/885987119.db2.gz LWWWOMOFLPVXOT-NRFANRHFSA-N 0 0 376.460 3.853 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000105095430 886011228 /nfs/dbraw/zinc/01/12/28/886011228.db2.gz LKVFIAMDTZUCDA-FQEVSTJZSA-N 0 0 396.466 3.541 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)[C@@H](C)C(=O)Nc3ccccc3C)n2)c1 ZINC000105689875 886019183 /nfs/dbraw/zinc/01/91/83/886019183.db2.gz YDHZYRAJDBKMBX-QZXCRCNTSA-N 0 0 383.473 3.629 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CCC[C@H]1CCc1ccccc1 ZINC000111784807 886237371 /nfs/dbraw/zinc/23/73/71/886237371.db2.gz PXJSMINMYYOODO-SFHVURJKSA-N 0 0 391.471 3.969 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(F)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000112855612 886274635 /nfs/dbraw/zinc/27/46/35/886274635.db2.gz IDWVIECFVMHGAO-RBUKOAKNSA-N 0 0 390.474 3.710 10 0 GHAERN Cc1noc(Cl)c1CC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218928 886286996 /nfs/dbraw/zinc/28/69/96/886286996.db2.gz KCGPLUUHKKBBJE-OAHLLOKOSA-N 0 0 384.867 3.975 10 0 GHAERN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218161 886287067 /nfs/dbraw/zinc/28/70/67/886287067.db2.gz KWTPQXHNHGBBEZ-UYAOXDASSA-N 0 0 394.519 3.574 10 0 GHAERN Cn1ccnc1[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(F)c1 ZINC000114820677 886328595 /nfs/dbraw/zinc/32/85/95/886328595.db2.gz QKAHKVCBUOHRFY-RDJZCZTQSA-N 0 0 399.495 3.694 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CCCOCCc3ccccc3)CC2)n1 ZINC000116667994 886369421 /nfs/dbraw/zinc/36/94/21/886369421.db2.gz HJAMKVSJKLBZFH-UHFFFAOYSA-N 0 0 381.520 3.515 10 0 GHAERN C[C@@H]1CN(c2ccc(C(=O)N3CC=C(c4cccs4)CC3)cn2)C[C@@H](C)O1 ZINC000117720094 886390721 /nfs/dbraw/zinc/39/07/21/886390721.db2.gz AGAUHCAAICRSNA-HZPDHXFCSA-N 0 0 383.517 3.686 10 0 GHAERN CCNC(=O)COc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000120775394 886531645 /nfs/dbraw/zinc/53/16/45/886531645.db2.gz UJHZYHAVGVKTEW-UHFFFAOYSA-N 0 0 397.450 3.662 10 0 GHAERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000332808816 886549678 /nfs/dbraw/zinc/54/96/78/886549678.db2.gz SZCMTXOIBAJZMQ-YQYRJILISA-N 0 0 393.487 3.578 10 0 GHAERN O=C(NC[C@H]1CCCSC1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000332894727 886557727 /nfs/dbraw/zinc/55/77/27/886557727.db2.gz TVDGRQYWEDCKJU-UKRRQHHQSA-N 0 0 377.535 3.522 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCO[C@@H](c3cccc(Cl)c3)C1)CCC2 ZINC000332913502 886561099 /nfs/dbraw/zinc/56/10/99/886561099.db2.gz NLVXEOXFUGCNGV-SJLPKXTDSA-N 0 0 388.899 3.505 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000332912132 886561270 /nfs/dbraw/zinc/56/12/70/886561270.db2.gz ZTYKUMCOOXOQFC-YOEHRIQHSA-N 0 0 394.500 3.548 10 0 GHAERN COc1cc2c(c(CN[C@@H](c3ncon3)c3ccc(Cl)cc3)c1)O[C@H](C)C2 ZINC000122577498 886592006 /nfs/dbraw/zinc/59/20/06/886592006.db2.gz UQQNJYCOFHXRFK-KZULUSFZSA-N 0 0 385.851 3.934 10 0 GHAERN O=C(Nc1ccccc1OC(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000123795395 886673315 /nfs/dbraw/zinc/67/33/15/886673315.db2.gz KKMJVUVKYSOQKW-UHFFFAOYSA-N 0 0 395.450 3.935 10 0 GHAERN Cc1cc(C(=O)CCC(=O)NC2CCN(c3ccc(C)cn3)CC2)c(C)s1 ZINC000124205180 886718838 /nfs/dbraw/zinc/71/88/38/886718838.db2.gz QSFWZBDFDHQPRD-UHFFFAOYSA-N 0 0 385.533 3.816 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000103862540 913072279 /nfs/dbraw/zinc/07/22/79/913072279.db2.gz KETZXABXEZHSBI-UHFFFAOYSA-N 0 0 395.503 3.596 10 0 GHAERN CCSCC[C@@H](C)N(C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124657583 886780186 /nfs/dbraw/zinc/78/01/86/886780186.db2.gz QMHCJPAKKQSCNT-WBMJQRKESA-N 0 0 380.489 3.780 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(F)cc1F ZINC000042806977 886817446 /nfs/dbraw/zinc/81/74/46/886817446.db2.gz URHWDOXTTFAHBU-ZIAGYGMSSA-N 0 0 385.418 3.658 10 0 GHAERN CN(c1ccccc1)C1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1 ZINC000125751844 886896868 /nfs/dbraw/zinc/89/68/68/886896868.db2.gz QMDJXRAUIYSPLK-UHFFFAOYSA-N 0 0 391.515 3.550 10 0 GHAERN Cc1ccc(-c2ccsc2C(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000126292377 886952608 /nfs/dbraw/zinc/95/26/08/886952608.db2.gz OXRKIKATQKJRMB-UHFFFAOYSA-N 0 0 395.528 3.932 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccccc2NCc2cccnc2)CC1 ZINC000127277484 887046555 /nfs/dbraw/zinc/04/65/55/887046555.db2.gz CHXKPROFYCJTTK-UHFFFAOYSA-N 0 0 389.503 3.522 10 0 GHAERN Fc1cc(-c2noc(CN[C@@H]3CCCC[C@@H]3n3cccn3)n2)cc(F)c1F ZINC000127923449 887123624 /nfs/dbraw/zinc/12/36/24/887123624.db2.gz HJXDDOQNAWMDMP-CABCVRRESA-N 0 0 377.370 3.624 10 0 GHAERN C[C@@H](NC(=O)CCc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCCC2 ZINC000046455831 887197364 /nfs/dbraw/zinc/19/73/64/887197364.db2.gz BUNPDVMYIZEXGL-OAHLLOKOSA-N 0 0 376.460 3.820 10 0 GHAERN O=C(c1ccc(SC(F)(F)F)cc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000130467446 887435753 /nfs/dbraw/zinc/43/57/53/887435753.db2.gz DWHFBOIDCWWODP-CJNGLKHVSA-N 0 0 398.450 3.914 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000124911299 887510675 /nfs/dbraw/zinc/51/06/75/887510675.db2.gz MFTDGWXTMPICKW-NEPJUHHUSA-N 0 0 375.460 3.985 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000124911100 887510893 /nfs/dbraw/zinc/51/08/93/887510893.db2.gz MFTDGWXTMPICKW-VXGBXAGGSA-N 0 0 375.460 3.985 10 0 GHAERN CCN(c1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1)C(C)C ZINC000131659969 887564024 /nfs/dbraw/zinc/56/40/24/887564024.db2.gz JYIZCLOAVJEMBG-UHFFFAOYSA-N 0 0 393.447 3.549 10 0 GHAERN COc1ccccc1-c1nnc(CNC2(c3cccc(F)c3)CCOCC2)o1 ZINC000131888869 887585716 /nfs/dbraw/zinc/58/57/16/887585716.db2.gz WVVPXBDCGNTLFN-UHFFFAOYSA-N 0 0 383.423 3.680 10 0 GHAERN Cc1ccc(C(=O)NCCNC(=O)N(Cc2ccco2)C2CCCC2)cc1F ZINC000105107283 887588453 /nfs/dbraw/zinc/58/84/53/887588453.db2.gz LHSMSZUKDAKJTC-UHFFFAOYSA-N 0 0 387.455 3.611 10 0 GHAERN CC(C)NC(=O)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000132024234 887600121 /nfs/dbraw/zinc/60/01/21/887600121.db2.gz RGGOUOIHHMSRBL-UHFFFAOYSA-N 0 0 386.521 3.677 10 0 GHAERN COc1cc(F)c(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)cc1OC ZINC000133025506 887724837 /nfs/dbraw/zinc/72/48/37/887724837.db2.gz DTACRVNHIGHWTO-SNVBAGLBSA-N 0 0 389.358 3.523 10 0 GHAERN CC(=O)Nc1cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc(C(F)(F)F)c1 ZINC000133485522 887769638 /nfs/dbraw/zinc/76/96/38/887769638.db2.gz CMINJUIBONSVBE-KRWDZBQOSA-N 0 0 396.365 3.779 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000134325399 887860363 /nfs/dbraw/zinc/86/03/63/887860363.db2.gz SKSWGJUSMFUIJQ-VQIMIIECSA-N 0 0 387.549 3.726 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000134326365 887860694 /nfs/dbraw/zinc/86/06/94/887860694.db2.gz AUEFXQJIZXFJRR-IRLDBZIGSA-N 0 0 389.499 3.524 10 0 GHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134351486 887862531 /nfs/dbraw/zinc/86/25/31/887862531.db2.gz CJPYBNCYTXGXMT-XLIONFOSSA-N 0 0 398.551 3.772 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000134644098 887894485 /nfs/dbraw/zinc/89/44/85/887894485.db2.gz ZHGGQAMBPATSBF-LJQANCHMSA-N 0 0 391.475 3.657 10 0 GHAERN O=C(Nc1cccc(-c2ncc[nH]2)c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000134804296 887914755 /nfs/dbraw/zinc/91/47/55/887914755.db2.gz WMGITHVRGPHJMJ-GOSISDBHSA-N 0 0 375.432 3.712 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccc(N2CCCC2)c1 ZINC000134831743 887919562 /nfs/dbraw/zinc/91/95/62/887919562.db2.gz DXUOSNPGEYQCMP-DYESRHJHSA-N 0 0 380.492 3.606 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(Br)c1 ZINC000136915490 888324026 /nfs/dbraw/zinc/32/40/26/888324026.db2.gz HVZJZXQKTSXPDA-CQSZACIVSA-N 0 0 376.254 3.838 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)N1CCC[C@H]1C1CCCC1 ZINC000056845631 888381247 /nfs/dbraw/zinc/38/12/47/888381247.db2.gz OKQIMWDGSSQPPW-FQEVSTJZSA-N 0 0 375.557 3.922 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)Nc1ccccc1SC(F)(F)F ZINC000193667035 888514953 /nfs/dbraw/zinc/51/49/53/888514953.db2.gz RDRUWCAGKKRSTA-UHFFFAOYSA-N 0 0 394.382 3.596 10 0 GHAERN O=C(Nc1nccs1)c1ccc(NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193987678 888546391 /nfs/dbraw/zinc/54/63/91/888546391.db2.gz RFFSJDNIXCXSGO-INIZCTEOSA-N 0 0 378.457 3.849 10 0 GHAERN CCn1cnc2c(c1=O)CCN(C(=O)/C(C)=C/c1c(Cl)cccc1Cl)C2 ZINC000194339315 888577086 /nfs/dbraw/zinc/57/70/86/888577086.db2.gz RULVWUQDOJXDQZ-FMIVXFBMSA-N 0 0 392.286 3.558 10 0 GHAERN COc1cc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)ccc1Cl ZINC000194376718 888581034 /nfs/dbraw/zinc/58/10/34/888581034.db2.gz VXCGLUWLKPKYKQ-CYBMUJFWSA-N 0 0 385.855 3.803 10 0 GHAERN COC[C@@H](NC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(Cl)cc1 ZINC000194648444 888602222 /nfs/dbraw/zinc/60/22/22/888602222.db2.gz FFOBUKHIYBZJEQ-QZTJIDSGSA-N 0 0 399.882 3.543 10 0 GHAERN COc1cc(CNc2ccc(Cc3nnc4n3CCCCC4)cc2)ccc1O ZINC000194994505 888636010 /nfs/dbraw/zinc/63/60/10/888636010.db2.gz BFQMKAUBVUNQJD-UHFFFAOYSA-N 0 0 378.476 3.922 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000245495686 888796763 /nfs/dbraw/zinc/79/67/63/888796763.db2.gz PYRSYOVPMCSSRL-LBVFDXDZSA-N 0 0 391.537 3.940 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000245625945 889088171 /nfs/dbraw/zinc/08/81/71/889088171.db2.gz CGJDHXHKVITCFA-FVQGUVRESA-N 0 0 392.862 3.560 10 0 GHAERN Cc1c(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)cnn1CCO[C@H]1CCCCO1 ZINC000245626585 889088597 /nfs/dbraw/zinc/08/85/97/889088597.db2.gz GQYIVMCEPXYICI-ZNLUXHQJSA-N 0 0 397.519 3.753 10 0 GHAERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245696755 889252380 /nfs/dbraw/zinc/25/23/80/889252380.db2.gz YHQHZGKORBUNOW-UZKOGDIHSA-N 0 0 391.515 3.623 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1NC(=O)c1ccco1 ZINC000245877523 889918104 /nfs/dbraw/zinc/91/81/04/889918104.db2.gz JYVZSTCSADEPPU-KFKAGJAMSA-N 0 0 395.459 3.919 10 0 GHAERN CSc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000246154140 890555246 /nfs/dbraw/zinc/55/52/46/890555246.db2.gz TXMKTPOZZCYQNT-HUUCEWRRSA-N 0 0 385.537 3.542 10 0 GHAERN O=C(Nc1cccc(CN2CCCCC2=O)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246236674 890796995 /nfs/dbraw/zinc/79/69/95/890796995.db2.gz GBCXTOCCSNBFIF-HMXCVIKNSA-N 0 0 397.519 3.668 10 0 GHAERN CN(C)c1nc2sc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2s1 ZINC000067048749 891140554 /nfs/dbraw/zinc/14/05/54/891140554.db2.gz JYEJVRPYJPMMFN-JTQLQIEISA-N 0 0 378.548 3.900 10 0 GHAERN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1CCC[C@@H](c2nccs2)C1 ZINC000067048782 891140853 /nfs/dbraw/zinc/14/08/53/891140853.db2.gz CARYBDWMFFXNLV-MRXNPFEDSA-N 0 0 399.516 3.593 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(NC(=O)c2ccoc2C)CC1)c1cccs1 ZINC000067406527 891150632 /nfs/dbraw/zinc/15/06/32/891150632.db2.gz QAYBXGMUQFTNJF-MRXNPFEDSA-N 0 0 375.494 3.705 10 0 GHAERN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cccc(C=O)c3)co2)cc1 ZINC000068332170 891177070 /nfs/dbraw/zinc/17/70/70/891177070.db2.gz UXYDUIPBBQSKCV-MRXNPFEDSA-N 0 0 378.428 3.589 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000068714130 891184340 /nfs/dbraw/zinc/18/43/40/891184340.db2.gz RGGJKUBZIMDBJZ-QFBILLFUSA-N 0 0 375.513 3.556 10 0 GHAERN CSCCc1ccc(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000069325276 891197464 /nfs/dbraw/zinc/19/74/64/891197464.db2.gz DYQBERSMCGPJLS-GOSISDBHSA-N 0 0 381.505 3.930 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000246635890 891294792 /nfs/dbraw/zinc/29/47/92/891294792.db2.gz CFQCECDYPUQPCY-XUVXKRRUSA-N 0 0 376.497 3.707 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1NC(=O)c1ccccc1 ZINC000246661720 891296456 /nfs/dbraw/zinc/29/64/56/891296456.db2.gz CXPYNTNZLKEDHH-ZVDOUQERSA-N 0 0 378.472 3.935 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247317045 891366641 /nfs/dbraw/zinc/36/66/41/891366641.db2.gz IMKSHFVUBVGTCL-RCCFBDPRSA-N 0 0 387.911 3.889 10 0 GHAERN CN(C(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1cccs1)c1nccs1 ZINC000247328941 891368196 /nfs/dbraw/zinc/36/81/96/891368196.db2.gz YKGMIJQKLDUTNK-HUUCEWRRSA-N 0 0 379.551 3.536 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248639973 891449854 /nfs/dbraw/zinc/44/98/54/891449854.db2.gz WXLMPOLQEZHETQ-LOSGSANQSA-N 0 0 375.488 3.743 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)Nc2ccccc2CCOC)[C@H]1Oc1ccccc1 ZINC000248891205 891480032 /nfs/dbraw/zinc/48/00/32/891480032.db2.gz YYTRCWWFMUHLJU-NJDAHSKKSA-N 0 0 384.476 3.622 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2c(F)cc(F)cc2Br)[C@H]2CCO[C@H]21 ZINC000248926508 891481830 /nfs/dbraw/zinc/48/18/30/891481830.db2.gz YNGJHHIIDCXRHZ-BZHVJNSISA-N 0 0 375.213 3.662 10 0 GHAERN O=C(Nc1ccccc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)OCc1ccccc1 ZINC000249172231 891500142 /nfs/dbraw/zinc/50/01/42/891500142.db2.gz LMRHQJPMJIRDDO-DBVUQKKJSA-N 0 0 380.444 3.733 10 0 GHAERN COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C[C@H]2O ZINC000249272915 891503253 /nfs/dbraw/zinc/50/32/53/891503253.db2.gz JXKZGLKXTTWMBB-JJRVBVJISA-N 0 0 387.863 3.537 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)N1CCNC[C@H]1c1cccnc1 ZINC000261945593 892173692 /nfs/dbraw/zinc/17/36/92/892173692.db2.gz KZRZOWZMWLOARC-DAYGRLMNSA-N 0 0 376.287 3.665 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCNC[C@H]1c1cccnc1 ZINC000261945599 892173736 /nfs/dbraw/zinc/17/37/36/892173736.db2.gz KZRZOWZMWLOARC-RKVPGOIHSA-N 0 0 376.287 3.665 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(F)cc21)N1CCO[C@H](c2nccs2)C1 ZINC000111808320 898830131 /nfs/dbraw/zinc/83/01/31/898830131.db2.gz OZWNEXJMJMFPNT-KBPBESRZSA-N 0 0 379.482 3.602 10 0 GHAERN COC1([C@H](C)NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCOCC1 ZINC000333126990 899984358 /nfs/dbraw/zinc/98/43/58/899984358.db2.gz AIURUEDQFQYXBS-FUHWJXTLSA-N 0 0 388.508 3.706 10 0 GHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000333208250 900037659 /nfs/dbraw/zinc/03/76/59/900037659.db2.gz CFAUJRBVNVQDAZ-LXHROKJGSA-N 0 0 398.547 3.637 10 0 GHAERN Cc1cc(N2CCC(NC(=O)N[C@H]3c4ccccc4CCC3(C)C)CC2)n[nH]1 ZINC000333522005 902158453 /nfs/dbraw/zinc/15/84/53/902158453.db2.gz ZNYGRQBYAJJLMG-FQEVSTJZSA-N 0 0 381.524 3.700 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333625606 902230731 /nfs/dbraw/zinc/23/07/31/902230731.db2.gz AKJQCYRALFEXEG-ABSDTBQOSA-N 0 0 376.460 3.650 10 0 GHAERN C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000333634641 902235800 /nfs/dbraw/zinc/23/58/00/902235800.db2.gz RMHDULNGTOOYFP-DAXOMENPSA-N 0 0 389.496 3.881 10 0 GHAERN C[C@@H]1[C@@H](O)CCCN1C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000333635005 902236652 /nfs/dbraw/zinc/23/66/52/902236652.db2.gz RMHDULNGTOOYFP-KCXAZCMYSA-N 0 0 389.496 3.881 10 0 GHAERN COC[C@@H](C)n1c(SCC(=O)OCC(C)(C)C)nnc1-c1ccccc1 ZINC000103699852 905651004 /nfs/dbraw/zinc/65/10/04/905651004.db2.gz DKYRBVUIDRNVHZ-CQSZACIVSA-N 0 0 377.510 3.834 10 0 GHAERN O=C(Nc1ccc2c(c1)CCCC(=O)N2)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000176548680 905870767 /nfs/dbraw/zinc/87/07/67/905870767.db2.gz UTLSKCDCFRLNDR-UHFFFAOYSA-N 0 0 395.463 3.813 10 0 GHAERN O=C(CCSc1ccc(Br)cc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181375151 906984200 /nfs/dbraw/zinc/98/42/00/906984200.db2.gz DKSWULLWSFRORJ-AWEZNQCLSA-N 0 0 395.326 3.803 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184596873 907617348 /nfs/dbraw/zinc/61/73/48/907617348.db2.gz KYISPPOUTJERQL-CYBMUJFWSA-N 0 0 394.273 3.643 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(CN3CCCC3=O)c2)cs1 ZINC000186185969 907888614 /nfs/dbraw/zinc/88/86/14/907888614.db2.gz HAXDUXLWWVXOLR-IBGZPJMESA-N 0 0 398.532 3.621 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000188011268 908167108 /nfs/dbraw/zinc/16/71/08/908167108.db2.gz QNUYNRVSKPFYNA-ZDUSSCGKSA-N 0 0 376.425 3.996 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(CCC(F)(F)F)c2)C1 ZINC000189444789 908324416 /nfs/dbraw/zinc/32/44/16/908324416.db2.gz ZRSLJRAIXLEQDT-LSDHHAIUSA-N 0 0 398.385 3.867 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccccc2C(F)(F)F)cs1 ZINC000190017543 908403409 /nfs/dbraw/zinc/40/34/09/908403409.db2.gz CNTYHRORYUVWLH-HNNXBMFYSA-N 0 0 397.422 3.564 10 0 GHAERN COc1cc(-c2ccccc2)sc1C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000190022266 908405460 /nfs/dbraw/zinc/40/54/60/908405460.db2.gz OUHOGHWBVGVSOE-CABCVRRESA-N 0 0 399.472 3.717 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000190040108 908409960 /nfs/dbraw/zinc/40/99/60/908409960.db2.gz JVCFURPDJMQGRV-VUCTXSBTSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000190056532 908414593 /nfs/dbraw/zinc/41/45/93/908414593.db2.gz JQAIGYVVKZFAQQ-ZFWWWQNUSA-N 0 0 384.263 3.606 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(F)F)C1 ZINC000190113026 908428345 /nfs/dbraw/zinc/42/83/45/908428345.db2.gz LACGHYKWIYOURU-ZYHUDNBSSA-N 0 0 384.408 3.687 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000190112200 908428460 /nfs/dbraw/zinc/42/84/60/908428460.db2.gz JZTHATBYYDCSDE-XLIONFOSSA-N 0 0 390.443 3.943 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000190133611 908435559 /nfs/dbraw/zinc/43/55/59/908435559.db2.gz KWMCBSMYBCZYCY-HIFRSBDPSA-N 0 0 398.385 3.867 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2sc(-c3ccccc3)nc2C)C1 ZINC000190138979 908436981 /nfs/dbraw/zinc/43/69/81/908436981.db2.gz ZESLUCRCBQZVNQ-GJZGRUSLSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H](n3cncn3)C2)cc(C)c1Br ZINC000192418325 908784528 /nfs/dbraw/zinc/78/45/28/908784528.db2.gz WJTZMSQNKNHEKQ-CQSZACIVSA-N 0 0 378.274 3.526 10 0 GHAERN CCS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000192462626 908789305 /nfs/dbraw/zinc/78/93/05/908789305.db2.gz XIISDQREWZSIHU-HNNXBMFYSA-N 0 0 380.554 3.654 10 0 GHAERN Cc1ccnc2nc(C(=O)N3CCC[C@@H]3C[C@H]3CCCc4ccccc43)nn21 ZINC000365131816 920412575 /nfs/dbraw/zinc/41/25/75/920412575.db2.gz AMDIDPVFAJZBFZ-QZTJIDSGSA-N 0 0 375.476 3.548 10 0 GHAERN O=C([O-])CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000692510813 976517466 /nfs/dbraw/zinc/51/74/66/976517466.db2.gz ZDTVRLBBLUIESS-UHFFFAOYSA-N 0 0 381.259 3.909 10 0 GHAERN C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCCCC1)c1ncc(C(=O)[O-])s1 ZINC000697004284 976831866 /nfs/dbraw/zinc/83/18/66/976831866.db2.gz KJWWSKKDJFFALY-GFCCVEGCSA-N 0 0 383.514 3.720 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2ccc(F)cc2C1 ZINC000185033453 1014574983 /nfs/dbraw/zinc/57/49/83/1014574983.db2.gz IRXSJVAZRYXWOX-FQEVSTJZSA-N 0 0 398.482 3.815 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)C2CCCCCC2)c2ccc(F)cc2C1 ZINC000185253997 1014577398 /nfs/dbraw/zinc/57/73/98/1014577398.db2.gz GVCFSIDSXKYZAS-HXUWFJFHSA-N 0 0 375.488 3.983 10 0 GHAERN O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCc2ccccc21 ZINC000016022951 210182730 /nfs/dbraw/zinc/18/27/30/210182730.db2.gz ODVSUHQTBYNIOI-UHFFFAOYSA-N 0 0 375.424 3.640 10 0 GHAERN COCCN(CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(C)c1C ZINC000012974310 210038527 /nfs/dbraw/zinc/03/85/27/210038527.db2.gz OZXKUPBFKRVESG-UHFFFAOYSA-N 0 0 390.911 3.923 10 0 GHAERN c1ccc(OCc2nnc3sc(-c4ccc5c(c4)OCCCO5)nn23)cc1 ZINC000004540238 209493362 /nfs/dbraw/zinc/49/33/62/209493362.db2.gz VKBLQQNJOVUVQW-UHFFFAOYSA-N 0 0 380.429 3.593 10 0 GHAERN CCOC(CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)OCC ZINC000002565108 209370111 /nfs/dbraw/zinc/37/01/11/209370111.db2.gz LZPHNYBBVZMAQA-UHFFFAOYSA-N 0 0 377.506 3.898 10 0 GHAERN Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)nc1 ZINC000002565155 209369763 /nfs/dbraw/zinc/36/97/63/209369763.db2.gz PYBURELULVQJHQ-UHFFFAOYSA-N 0 0 394.287 3.915 10 0 GHAERN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(N)=O)cc1 ZINC000001924641 209342641 /nfs/dbraw/zinc/34/26/41/209342641.db2.gz VFOHLTBFAJESTQ-BJMVGYQFSA-N 0 0 389.249 3.599 10 0 GHAERN O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000001927633 209342658 /nfs/dbraw/zinc/34/26/58/209342658.db2.gz UAQWSZYHCRYNSM-LFIBNONCSA-N 0 0 384.501 3.950 10 0 GHAERN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3cccc(O)c3)N2C1=O ZINC000001661608 209335464 /nfs/dbraw/zinc/33/54/64/209335464.db2.gz IDGCPAFIELNTPI-TZIWHRDSSA-N 0 0 389.455 3.952 10 0 GHAERN CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1 ZINC000001365212 209323050 /nfs/dbraw/zinc/32/30/50/209323050.db2.gz OVXCFSICEOEBJW-UHFFFAOYSA-N 0 0 392.337 3.853 10 0 GHAERN COc1cccc(-c2csc(N3CCN(C(=O)c4ccc(F)cc4)CC3)n2)c1 ZINC000001349751 209321365 /nfs/dbraw/zinc/32/13/65/209321365.db2.gz LGSJKAHOWYLYQG-UHFFFAOYSA-N 0 0 397.475 3.920 10 0 GHAERN COc1ccc(NC(=O)/C(Cl)=C(\Cl)[S@](=O)Cc2ccccc2)cn1 ZINC000005703682 209231758 /nfs/dbraw/zinc/23/17/58/209231758.db2.gz XNTUIWIKFGPDFS-XYSUMVETSA-N 0 0 385.272 3.624 10 0 GHAERN CC(C)[C@@H](NC(=O)Cc1csc(-n2cccc2)n1)c1nc2ccccc2n1C ZINC000334162817 209177674 /nfs/dbraw/zinc/17/76/74/209177674.db2.gz ZUJNKZYIZHGWIB-LJQANCHMSA-N 0 0 393.516 3.877 10 0 GHAERN CC(C)(C)OC(=O)n1nc(I)c2cc(F)cc(F)c21 ZINC000095757020 211283002 /nfs/dbraw/zinc/28/30/02/211283002.db2.gz CGLXTQUTEJDISY-UHFFFAOYSA-N 0 0 380.132 3.702 10 0 GHAERN COc1ccnc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)c1 ZINC000095499345 211252633 /nfs/dbraw/zinc/25/26/33/211252633.db2.gz OTTPLWOKTHNRIJ-HNNXBMFYSA-N 0 0 385.439 3.500 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS(=O)(=O)c1nc2ccccc2s1 ZINC000095086743 211220405 /nfs/dbraw/zinc/22/04/05/211220405.db2.gz XSILFWYYBAUNTJ-ZDUSSCGKSA-N 0 0 396.534 3.860 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H](CNc2nc3ccccc3nc2NC2CC2)C1 ZINC000095083909 211219192 /nfs/dbraw/zinc/21/91/92/211219192.db2.gz SUSBEGPGTWRNOS-CQSZACIVSA-N 0 0 383.496 3.873 10 0 GHAERN O=C(OCc1ccccc1)N1CCC(Cn2c(CO)nc3ccccc32)CC1 ZINC000095078400 211219142 /nfs/dbraw/zinc/21/91/42/211219142.db2.gz IYFMFAJBKXILTQ-UHFFFAOYSA-N 0 0 379.460 3.577 10 0 GHAERN CC(=O)c1nc2cccnc2n1C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082757 211218596 /nfs/dbraw/zinc/21/85/96/211218596.db2.gz JGWXIUMAPHQXQU-GOSISDBHSA-N 0 0 392.459 3.683 10 0 GHAERN O=C(OCc1ccccc1)N1CCC[C@H](Cn2c(CO)nc3ccccc32)C1 ZINC000095078390 211218245 /nfs/dbraw/zinc/21/82/45/211218245.db2.gz NUNQPFNYAMIMTB-SFHVURJKSA-N 0 0 379.460 3.577 10 0 GHAERN O=C(NCc1cccnc1N1CCc2ccccc2C1)c1cccc2c1OCC2 ZINC000067472850 211010645 /nfs/dbraw/zinc/01/06/45/211010645.db2.gz ATNVUUORZWOUKL-UHFFFAOYSA-N 0 0 385.467 3.509 10 0 GHAERN CC(C)OCCCN1C(=O)CN(C2CCCCC2)C(=O)[C@@H]1c1cccs1 ZINC000065273929 210984868 /nfs/dbraw/zinc/98/48/68/210984868.db2.gz UVEOVNCNBZOHBE-IBGZPJMESA-N 0 0 378.538 3.608 10 0 GHAERN COc1ccc(CC(=O)N2CCc3nc(-c4ccccc4)ncc3C2)cc1Cl ZINC000065168780 210970496 /nfs/dbraw/zinc/97/04/96/210970496.db2.gz YNXWTFYXKYYAGD-UHFFFAOYSA-N 0 0 393.874 3.933 10 0 GHAERN O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn21)NC[C@H]1CCCO1 ZINC000065061157 210962896 /nfs/dbraw/zinc/96/28/96/210962896.db2.gz CJLQMSLCTNGHGR-QGZVFWFLSA-N 0 0 383.879 3.883 10 0 GHAERN Cc1cccc(-c2nc(CCN(C)S(=O)(=O)c3ccc(Cl)s3)no2)c1 ZINC000064841460 210951304 /nfs/dbraw/zinc/95/13/04/210951304.db2.gz OERUQTDEBJVHON-UHFFFAOYSA-N 0 0 397.909 3.623 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCc3ccccc32)nnn1-c1ccc(Br)cc1 ZINC000051318040 210868572 /nfs/dbraw/zinc/86/85/72/210868572.db2.gz AENUUVMSFCAHTA-KRWDZBQOSA-N 0 0 397.276 3.756 10 0 GHAERN COc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC3CC3)cc2)cc1 ZINC000034679660 210659287 /nfs/dbraw/zinc/65/92/87/210659287.db2.gz NYOIHEXJFXMDOT-UHFFFAOYSA-N 0 0 392.499 3.707 10 0 GHAERN Cc1cc2n(n1)c1ccccc1c(=O)n2CC(=O)Nc1ccccc1C(C)(C)C ZINC000032836396 210594633 /nfs/dbraw/zinc/59/46/33/210594633.db2.gz WMYAKTXFELYXGG-UHFFFAOYSA-N 0 0 388.471 3.894 10 0 GHAERN COC(=O)c1ccc(NC(=O)C[C@@H](c2ccc(OC)cc2)n2cccc2)cc1 ZINC000020997627 210373105 /nfs/dbraw/zinc/37/31/05/210373105.db2.gz BRBUYYVIMMVKKT-FQEVSTJZSA-N 0 0 378.428 3.902 10 0 GHAERN Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(=O)CC1(CCCCC1)O3 ZINC000020900644 210367437 /nfs/dbraw/zinc/36/74/37/210367437.db2.gz PCLUAPYMFBRXIF-UHFFFAOYSA-N 0 0 383.444 3.882 10 0 GHAERN Cc1sc2ncnc(N(C)CCO)c2c1-c1ccc(Br)cc1 ZINC000020318605 210326561 /nfs/dbraw/zinc/32/65/61/210326561.db2.gz VFSMVSPYQPJHMY-UHFFFAOYSA-N 0 0 378.295 3.858 10 0 GHAERN C[C@@H](CCc1ccco1)NC(=O)[C@@H]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000065289533 136162582 /nfs/dbraw/zinc/16/25/82/136162582.db2.gz TWHXYVSUCLCMHG-ZWKOTPCHSA-N 0 0 396.535 3.548 10 0 GHAERN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)c(C)c1 ZINC000065289529 136162654 /nfs/dbraw/zinc/16/26/54/136162654.db2.gz IVBXTVCFRAQASP-KRWDZBQOSA-N 0 0 394.519 3.774 10 0 GHAERN O=C(Nc1ccc(N2CCOCC2)cc1)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000136490008 136192897 /nfs/dbraw/zinc/19/28/97/136192897.db2.gz HDXMYBOCRATISA-UHFFFAOYSA-N 0 0 388.427 3.912 10 0 GHAERN COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)CCC3CCCC3)C2)c1 ZINC000065058253 525996588 /nfs/dbraw/zinc/99/65/88/525996588.db2.gz OUUOHIXLZWWPEX-QHCPKHFHSA-N 0 0 386.536 3.911 10 0 GHAERN COc1cccc(CNC(=O)[C@]2(C)CCCN(C(=O)CCC3CCCC3)C2)c1 ZINC000065058254 526001606 /nfs/dbraw/zinc/00/16/06/526001606.db2.gz OUUOHIXLZWWPEX-HSZRJFAPSA-N 0 0 386.536 3.911 10 0 GHAERN N[C@H]1N=C(C=Cc2ccccc2)C=C(C(=O)Nc2cccc(Cl)c2Cl)N1 ZINC000048547900 570251954 /nfs/dbraw/zinc/25/19/54/570251954.db2.gz CFVRNUJJINJKOD-YXBWYFRISA-N 0 0 387.270 3.816 10 0 GHAERN Cc1ccc(Cn2c3nnc(-c4ccc(O)cc4)n3c3ccccc3c2=O)cc1 ZINC000006781156 570283706 /nfs/dbraw/zinc/28/37/06/570283706.db2.gz RMDXSCYOSUELAR-UHFFFAOYSA-N 0 0 382.423 3.774 10 0 GHAERN CCCNC(=O)NC[C@@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000034857331 570341932 /nfs/dbraw/zinc/34/19/32/570341932.db2.gz PSGVWKRCNMBKJX-HXUWFJFHSA-N 0 0 397.519 3.512 10 0 GHAERN Cc1cccc(-c2nnc(NC(=O)CCNC(=O)/C=C/c3ccccc3)s2)c1 ZINC000035344234 570343052 /nfs/dbraw/zinc/34/30/52/570343052.db2.gz VFUHXHIEFXSEFN-ZHACJKMWSA-N 0 0 392.484 3.672 10 0 GHAERN CCc1c(O)nc(SCC(=O)Nc2ccccc2)n(C2CCCCC2)c1=O ZINC000023115025 570344598 /nfs/dbraw/zinc/34/45/98/570344598.db2.gz WAADWNVKCPUWGB-UHFFFAOYSA-N 0 0 387.505 3.747 10 0 GHAERN O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2 ZINC000003645583 570349694 /nfs/dbraw/zinc/34/96/94/570349694.db2.gz AGWQGQAXMWGWEA-UHFFFAOYSA-N 0 0 396.443 3.988 10 0 GHAERN CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC ZINC000004216393 570363390 /nfs/dbraw/zinc/36/33/90/570363390.db2.gz KYBOHGVERHWSSV-VNIVIJDLSA-N 0 0 394.552 3.976 10 0 world GHAERN C/C(=C\c1nsc(Nc2ccc(Cl)cc2)n1)NCCCN1CCOCC1 ZINC000005909353 570461453 /nfs/dbraw/zinc/46/14/53/570461453.db2.gz CTIQXWBHSMXXPY-BUHFOSPRSA-N 0 0 393.944 3.608 10 0 GHAERN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@H]2C1 ZINC000251557991 570472642 /nfs/dbraw/zinc/47/26/42/570472642.db2.gz BFWXVVPJWJZVTH-NJAFHUGGSA-N 0 0 377.440 3.760 10 0 GHAERN CC[C@@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1 ZINC000034708644 570543489 /nfs/dbraw/zinc/54/34/89/570543489.db2.gz IVVOPKRDLNHKQE-UXPWSPDFSA-N 0 0 382.479 3.986 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000097086825 570664464 /nfs/dbraw/zinc/66/44/64/570664464.db2.gz KWPOZIIFDIVGFA-SZMVWBNQSA-N 0 0 388.389 3.738 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccncc1 ZINC000583614785 570799976 /nfs/dbraw/zinc/79/99/76/570799976.db2.gz ARVIYNANSHTYRU-PDXHDDNESA-N 0 0 390.487 3.839 10 0 GHAERN CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000583615191 570800442 /nfs/dbraw/zinc/80/04/42/570800442.db2.gz PVQUAZOAOZKDFS-ZACQAIPSSA-N 0 0 388.899 3.642 10 0 GHAERN O=C(NCCc1ccccc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168953 570842715 /nfs/dbraw/zinc/84/27/15/570842715.db2.gz VSLNUAIAHCNRLZ-UHFFFAOYSA-N 0 0 376.435 3.593 10 0 GHAERN O=C(NC[C@H]1CCCO1)c1cccc(Nc2cc(-c3ccc(F)cc3)ncn2)c1 ZINC000033260960 570866072 /nfs/dbraw/zinc/86/60/72/570866072.db2.gz XEQJAVXAAOEVEH-LJQANCHMSA-N 0 0 392.434 3.935 10 0 GHAERN CCC(=O)Nc1cc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc(C(=O)OC)c1 ZINC000012099007 570958616 /nfs/dbraw/zinc/95/86/16/570958616.db2.gz CKUGEOXXDMPRGO-UHFFFAOYSA-N 0 0 398.503 3.654 10 0 GHAERN CC(=O)c1ccc(N2CCN([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c(F)c1 ZINC000105136772 837518036 /nfs/dbraw/zinc/51/80/36/837518036.db2.gz YLLTVJLSULADMH-OAHLLOKOSA-N 0 0 394.450 3.962 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C3(c4cccc(C)c4)CCCC3)C2)n1 ZINC000116773027 834450542 /nfs/dbraw/zinc/45/05/42/834450542.db2.gz ZTADDBFGXYBXRJ-FQEVSTJZSA-N 0 0 380.536 3.954 10 0 GHAERN O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCO[C@@H](c2nccs2)C1 ZINC000110874186 834763893 /nfs/dbraw/zinc/76/38/93/834763893.db2.gz ITDKSTZSEKGTHQ-LJQANCHMSA-N 0 0 398.484 3.747 10 0 GHAERN O=C(COc1ccc2c(c1)CCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000157531266 834964955 /nfs/dbraw/zinc/96/49/55/834964955.db2.gz YFOAOISMYGHNNQ-UHFFFAOYSA-N 0 0 398.547 3.585 10 0 GHAERN COc1ccc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c(C)c1 ZINC000186960395 835042842 /nfs/dbraw/zinc/04/28/42/835042842.db2.gz FRKBOGUXWHUHTC-UHFFFAOYSA-N 0 0 383.496 3.580 10 0 GHAERN Cc1csc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1Br ZINC000588589675 835760759 /nfs/dbraw/zinc/76/07/59/835760759.db2.gz RTUMBEOJVQSZFV-WAYWQWQTSA-N 0 0 389.315 3.630 10 0 GHAERN CC(C)Oc1ccc(N(C)C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000588591812 835842802 /nfs/dbraw/zinc/84/28/02/835842802.db2.gz LRZBQDCUNXBMHO-AUWJEWJLSA-N 0 0 388.489 3.522 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC1(Sc3ccccc3)CC1)C2 ZINC000112750199 836278984 /nfs/dbraw/zinc/27/89/84/836278984.db2.gz RTLPBLDLLKZKBD-UHFFFAOYSA-N 0 0 384.549 3.936 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000332721518 836482823 /nfs/dbraw/zinc/48/28/23/836482823.db2.gz MAGMBAUVOBJCMI-QUCCMNQESA-N 0 0 375.472 3.549 10 0 GHAERN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000332742462 836514058 /nfs/dbraw/zinc/51/40/58/836514058.db2.gz JAFYPUQQVIHXEN-ZOBUZTSGSA-N 0 0 395.569 3.585 10 0 GHAERN C[C@H]1C[C@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)CC(C)(C)C1 ZINC000332841677 836737322 /nfs/dbraw/zinc/73/73/22/836737322.db2.gz KMIBNKOGAZLNSN-QWRGUYRKSA-N 0 0 379.302 3.799 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)C[C@H]1C ZINC000248995748 836866829 /nfs/dbraw/zinc/86/68/29/836866829.db2.gz ZNLPBWWPGOTERW-KYOSRNDESA-N 0 0 382.913 3.718 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CCO2)o1 ZINC000275381425 836957633 /nfs/dbraw/zinc/95/76/33/836957633.db2.gz OURYPDHTPQBZPK-GXTWGEPZSA-N 0 0 375.494 3.593 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)c3coc(C4CCOCC4)n3)C2)sc1C ZINC000407984301 838396014 /nfs/dbraw/zinc/39/60/14/838396014.db2.gz VNEKREGFTJMFCA-OAHLLOKOSA-N 0 0 375.494 3.662 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCC[C@H](c4nnc[nH]4)C3)sc2C1 ZINC000408426171 844330444 /nfs/dbraw/zinc/33/04/44/844330444.db2.gz RDMISXCBAHUBGJ-QWHCGFSZSA-N 0 0 388.541 3.824 10 0 GHAERN O=C(Nc1cc(-c2cccc(Cl)c2)on1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000330185849 838642175 /nfs/dbraw/zinc/64/21/75/838642175.db2.gz JJRZXVKZIFJRNN-LIRRHRJNSA-N 0 0 375.856 3.576 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cc2c(s1)CCCC2 ZINC000408026600 838689197 /nfs/dbraw/zinc/68/91/97/838689197.db2.gz YYOULTHHEMFGIQ-UHFFFAOYSA-N 0 0 389.565 3.863 10 0 GHAERN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1CCCC[C@@H]1c1nccs1 ZINC000115367181 839124350 /nfs/dbraw/zinc/12/43/50/839124350.db2.gz XWGBLKLNPDVZPI-HZPDHXFCSA-N 0 0 389.908 3.903 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000247190065 840175364 /nfs/dbraw/zinc/17/53/64/840175364.db2.gz VHPAKBGEFCAWKW-BPLDGKMQSA-N 0 0 379.291 3.627 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000332674599 844536533 /nfs/dbraw/zinc/53/65/33/844536533.db2.gz BDFDPRNYNDDITL-LZWOXQAQSA-N 0 0 389.462 3.730 10 0 GHAERN O=C(Nc1ccccc1NC(=O)N1CCCC1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000277011811 844567569 /nfs/dbraw/zinc/56/75/69/844567569.db2.gz VQQDXOWRACJKDI-SBUREZEXSA-N 0 0 391.471 3.993 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O)c1ccc(Cl)c(Cl)c1 ZINC000332816942 844577016 /nfs/dbraw/zinc/57/70/16/844577016.db2.gz KCBRNUNZUICUKB-OUENDJJVSA-N 0 0 387.307 3.626 10 0 GHAERN CC[C@@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000277035714 844578597 /nfs/dbraw/zinc/57/85/97/844578597.db2.gz AIZFIDCSZXXMCF-MSOLQXFVSA-N 0 0 393.915 3.611 10 0 GHAERN O=C(C[C@H]1CCc2ccccc2C1)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000332848258 844591807 /nfs/dbraw/zinc/59/18/07/844591807.db2.gz SOXFYHFBKYVRQI-SFHVURJKSA-N 0 0 397.563 3.805 10 0 GHAERN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000328771425 841227181 /nfs/dbraw/zinc/22/71/81/841227181.db2.gz RGKZRVHPRMVIGS-IAGOWNOFSA-N 0 0 380.448 3.843 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000332910070 844623839 /nfs/dbraw/zinc/62/38/39/844623839.db2.gz QPCPWOQSJFJYAC-RRFJBIMHSA-N 0 0 399.461 3.940 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000332899411 844634418 /nfs/dbraw/zinc/63/44/18/844634418.db2.gz LLTMUWXJXNGTSC-IRXDYDNUSA-N 0 0 399.878 3.658 10 0 GHAERN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000332899164 844632590 /nfs/dbraw/zinc/63/25/90/844632590.db2.gz OATDLGFRFJCQJL-WBVHZDCISA-N 0 0 385.537 3.534 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)cc1F ZINC000332901492 844633785 /nfs/dbraw/zinc/63/37/85/844633785.db2.gz OPSUXRMPMOOIIA-RKOGWWSCSA-N 0 0 382.483 3.939 10 0 GHAERN Cc1ccc(C(C)C)cc1OCC(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 ZINC000105622491 841696584 /nfs/dbraw/zinc/69/65/84/841696584.db2.gz IXPGAGGBQYOPQM-UHFFFAOYSA-N 0 0 398.488 3.686 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1ccccc1OC1CCCCC1 ZINC000121293160 842083796 /nfs/dbraw/zinc/08/37/96/842083796.db2.gz YGXNYOMCTMTEPR-KRWDZBQOSA-N 0 0 380.492 3.587 10 0 GHAERN Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000408314797 842361196 /nfs/dbraw/zinc/36/11/96/842361196.db2.gz CPYMVABLSFILQU-SGTLLEGYSA-N 0 0 379.913 3.569 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@H](C3CCCCC3)C2)c1 ZINC000408196461 842425821 /nfs/dbraw/zinc/42/58/21/842425821.db2.gz CKPSVNOMWGFBQC-SFHVURJKSA-N 0 0 393.915 3.855 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Cc1csc(-c2cccs2)n1 ZINC000588434299 842471684 /nfs/dbraw/zinc/47/16/84/842471684.db2.gz CHPYLZKWPDCTKK-PLNGDYQASA-N 0 0 393.534 3.611 10 0 GHAERN CC[C@H]1CN(C(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)C[C@]2(CCOC2)O1 ZINC000408326108 842502354 /nfs/dbraw/zinc/50/23/54/842502354.db2.gz IXFIZAJFLYVXFI-VOJFVSQTSA-N 0 0 383.275 3.885 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000588434638 842512377 /nfs/dbraw/zinc/51/23/77/842512377.db2.gz REATYLOKHRNMSJ-SREVYHEPSA-N 0 0 382.888 3.695 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(Cl)c2cccnc12 ZINC000588434677 842518513 /nfs/dbraw/zinc/51/85/13/842518513.db2.gz TXULOZQAYQFRIF-PLNGDYQASA-N 0 0 375.856 3.699 10 0 GHAERN COc1ccccc1N1C[C@@H](C(=O)N2CCCC[C@H]2c2nc(C)cs2)CC1=O ZINC000328846792 842577819 /nfs/dbraw/zinc/57/78/19/842577819.db2.gz SEBQHWCAYJLTSK-RDJZCZTQSA-N 0 0 399.516 3.567 10 0 GHAERN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)/C=C\c3ccncn3)s2)cc1 ZINC000588439115 842735915 /nfs/dbraw/zinc/73/59/15/842735915.db2.gz DBPCRHJBTHAJQA-OYVUYXNMSA-N 0 0 380.473 3.808 10 0 GHAERN CC(=O)N1CC[C@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000408353806 842753236 /nfs/dbraw/zinc/75/32/36/842753236.db2.gz DPPWWOWLHPWUTA-AWEZNQCLSA-N 0 0 391.924 3.524 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc(F)cc3cccnc31)CCCC2 ZINC000279267143 842777768 /nfs/dbraw/zinc/77/77/68/842777768.db2.gz VSRLUUAJICAYBP-LJQANCHMSA-N 0 0 378.451 3.964 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1Br ZINC000408210307 842855443 /nfs/dbraw/zinc/85/54/43/842855443.db2.gz ZSLMXCWQQGCRIE-GVDBMIGSSA-N 0 0 395.341 3.983 10 0 GHAERN COc1ccc(S(=O)(=O)N2CCC3(CCOCC3)[C@@H]2C)c(Cl)c1Cl ZINC000408210527 842859471 /nfs/dbraw/zinc/85/94/71/842859471.db2.gz IKEPWQWTBCDGAV-NSHDSACASA-N 0 0 394.320 3.582 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc(C)n3)CC2)o1 ZINC000163126081 842966990 /nfs/dbraw/zinc/96/69/90/842966990.db2.gz KUBAXQNQJMSMKE-IBGZPJMESA-N 0 0 398.507 3.645 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC000588450974 843282928 /nfs/dbraw/zinc/28/29/28/843282928.db2.gz XRRDHCDNFIUBCX-SREVYHEPSA-N 0 0 394.462 3.974 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000588451954 843307220 /nfs/dbraw/zinc/30/72/20/843307220.db2.gz XADVSHFFUPTDLN-XMXAVACDSA-N 0 0 377.437 3.590 10 0 GHAERN COc1cc(Br)c(NC(=O)/C=C\c2ncccc2C)cc1OC ZINC000588452514 843310115 /nfs/dbraw/zinc/31/01/15/843310115.db2.gz PTNLBHXWPHNDIF-SREVYHEPSA-N 0 0 377.238 3.822 10 0 GHAERN Cc1cc(NC(=O)/C=C\c2ncccc2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000588452647 843311522 /nfs/dbraw/zinc/31/15/22/843311522.db2.gz HLKGMUZJPFGWTQ-VURMDHGXSA-N 0 0 387.365 3.950 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000588455341 843346513 /nfs/dbraw/zinc/34/65/13/843346513.db2.gz RIBJTBDGNJLWSS-GIFJBRJJSA-N 0 0 387.277 3.766 10 0 GHAERN O=C(CCSc1ccccc1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306911 843352333 /nfs/dbraw/zinc/35/23/33/843352333.db2.gz LZHXAVXZWWTASI-UHFFFAOYSA-N 0 0 392.521 3.744 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c12 ZINC000121588964 843464406 /nfs/dbraw/zinc/46/44/06/843464406.db2.gz WTSMFQWORRIXJU-SBUREZEXSA-N 0 0 391.471 3.965 10 0 GHAERN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408244389 843557021 /nfs/dbraw/zinc/55/70/21/843557021.db2.gz CXPIUENSAVDPMV-KRWDZBQOSA-N 0 0 395.937 3.576 10 0 GHAERN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc2)cc1 ZINC000330336545 843727300 /nfs/dbraw/zinc/72/73/00/843727300.db2.gz ZNTOZOVWABZHFD-OXJNMPFZSA-N 0 0 384.501 3.810 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)NC1(c2ncon2)CCOCC1 ZINC000588466547 843734127 /nfs/dbraw/zinc/73/41/27/843734127.db2.gz PEOZMKIVRHQMQP-KTKRTIGZSA-N 0 0 395.459 3.994 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000151297258 845177887 /nfs/dbraw/zinc/17/78/87/845177887.db2.gz MXAKXJZCWZFVTL-UHFFFAOYSA-N 0 0 383.279 3.594 10 0 GHAERN Cc1ccc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)c(Br)n1 ZINC000151514767 845249532 /nfs/dbraw/zinc/24/95/32/845249532.db2.gz QABZVUFRHZVYDA-LBPRGKRZSA-N 0 0 393.289 3.524 10 0 GHAERN CSc1ccc(O[C@@H](C)C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000151571384 845252119 /nfs/dbraw/zinc/25/21/19/845252119.db2.gz RDMRFOPRLVNJIE-UGSOOPFHSA-N 0 0 382.489 3.508 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1CC[C@@H](O)C12CCCC2 ZINC000332993567 845367164 /nfs/dbraw/zinc/36/71/64/845367164.db2.gz LCLCFWCKDATEOX-JKSUJKDBSA-N 0 0 379.298 3.525 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000333001252 845447691 /nfs/dbraw/zinc/44/76/91/845447691.db2.gz URIILSRFANKCIC-MGPQQGTHSA-N 0 0 389.393 3.895 10 0 GHAERN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000329514381 861571576 /nfs/dbraw/zinc/57/15/76/861571576.db2.gz CUHNZRZHGSQZOS-PSOYPTMXSA-N 0 0 378.472 3.675 10 0 GHAERN CCCOc1c(Cl)cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1OC ZINC000248986217 845485919 /nfs/dbraw/zinc/48/59/19/845485919.db2.gz VIJJLYVBIFSKBN-HOCLYGCPSA-N 0 0 395.887 3.791 10 0 GHAERN CCCOc1c(Cl)cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1OC ZINC000248986219 845486026 /nfs/dbraw/zinc/48/60/26/845486026.db2.gz VIJJLYVBIFSKBN-ZBFHGGJFSA-N 0 0 395.887 3.791 10 0 GHAERN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCc1ccnn1C ZINC000105142134 845946583 /nfs/dbraw/zinc/94/65/83/845946583.db2.gz DBNQHKQDTYDHKZ-UHFFFAOYSA-N 0 0 398.486 3.504 10 0 GHAERN Cc1nc(NS(=O)(=O)/C=C\c2cccc(Br)c2)cc(C2CC2)n1 ZINC000588514648 846934539 /nfs/dbraw/zinc/93/45/39/846934539.db2.gz QXIHWFULEJGFTI-FPLPWBNLSA-N 0 0 394.294 3.838 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(=O)[nH]c4cc(F)ccc43)C2)cc1 ZINC000152654620 847477779 /nfs/dbraw/zinc/47/77/79/847477779.db2.gz LIIFRRJJDKGGHD-UKRRQHHQSA-N 0 0 380.419 3.694 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C(F)(F)F)NC3=O)C2)sc1C ZINC000329635216 861854656 /nfs/dbraw/zinc/85/46/56/861854656.db2.gz XNTQKRMVQHBNRM-FRRDWIJNSA-N 0 0 389.443 3.763 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)c3c[nH]c4ncccc34)C2)n1 ZINC000329636722 861857285 /nfs/dbraw/zinc/85/72/85/861857285.db2.gz VIPWFAIQPDWZDB-CYBMUJFWSA-N 0 0 390.534 3.711 10 0 GHAERN O=C(Nc1nc(-c2ccccc2F)cs1)C1CCN(c2ncccn2)CC1 ZINC000154710918 849362410 /nfs/dbraw/zinc/36/24/10/849362410.db2.gz HDCRTFKKBUVSJB-UHFFFAOYSA-N 0 0 383.452 3.594 10 0 GHAERN Cc1cc(SC2CCCCC2)ccc1NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000154835856 849387077 /nfs/dbraw/zinc/38/70/77/849387077.db2.gz SBQABPOWAFDEET-INIZCTEOSA-N 0 0 389.565 3.556 10 0 GHAERN COc1ccc(CN(C)C(=O)NC2CCN(c3cccs3)CC2)c(OC)c1 ZINC000155670834 849607627 /nfs/dbraw/zinc/60/76/27/849607627.db2.gz ZQKKZFWAXQDEEW-UHFFFAOYSA-N 0 0 389.521 3.576 10 0 GHAERN O=C(CCC(=O)c1ccc(F)cc1F)NC1CCN(c2cccs2)CC1 ZINC000156017899 849742525 /nfs/dbraw/zinc/74/25/25/849742525.db2.gz PBRJNMXFBXBLHC-UHFFFAOYSA-N 0 0 378.444 3.774 10 0 GHAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC(c3nccs3)CC2)n1 ZINC000329692214 862093636 /nfs/dbraw/zinc/09/36/36/862093636.db2.gz GUIMHDXGDBSKLX-WMZOPIPTSA-N 0 0 387.553 3.933 10 0 GHAERN C[C@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCOC2)CC1 ZINC000329693066 862095017 /nfs/dbraw/zinc/09/50/17/862095017.db2.gz ARJNGINMZRMUOD-VJANTYMQSA-N 0 0 390.572 3.860 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333833790 851241288 /nfs/dbraw/zinc/24/12/88/851241288.db2.gz LZOQGARXSKDGQO-IXXVDVBUSA-N 0 0 386.540 3.544 10 0 GHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333659091 851401035 /nfs/dbraw/zinc/40/10/35/851401035.db2.gz WDDGHWQKIPUIRR-LTIDMASMSA-N 0 0 376.463 3.938 10 0 GHAERN COc1ccccc1N1CC[C@@H](CNC(=O)[C@]2(C)CCCc3ccccc32)C1 ZINC000101517515 851633931 /nfs/dbraw/zinc/63/39/31/851633931.db2.gz VEJLRRXYCSMXQH-MHECFPHRSA-N 0 0 378.516 3.932 10 0 GHAERN Cc1ccc(-c2nc(CCNS(=O)(=O)c3cccc4ncccc43)co2)cc1 ZINC000101581942 851691767 /nfs/dbraw/zinc/69/17/67/851691767.db2.gz ZGWIEOXHVSCZMK-UHFFFAOYSA-N 0 0 393.468 3.719 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1C ZINC000101741160 851862976 /nfs/dbraw/zinc/86/29/76/851862976.db2.gz JALVWMCAGKUWDC-UHFFFAOYSA-N 0 0 381.476 3.885 10 0 GHAERN CC(C)Oc1ccc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000101746122 851865997 /nfs/dbraw/zinc/86/59/97/851865997.db2.gz ICDIRBJCXRTATQ-INIZCTEOSA-N 0 0 375.513 3.878 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](c2ccco2)c2ccccc2)CC1 ZINC000101776555 851899804 /nfs/dbraw/zinc/89/98/04/851899804.db2.gz ANVZFUFJAGVCJA-UWJYYQICSA-N 0 0 397.519 3.951 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000329843812 862366720 /nfs/dbraw/zinc/36/67/20/862366720.db2.gz XNASETKVJCZXRR-GIVPXCGWSA-N 0 0 394.519 3.795 10 0 GHAERN Cc1cc2c(Br)ccnc2cc1N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000333710848 853158000 /nfs/dbraw/zinc/15/80/00/853158000.db2.gz PTWHFZZGUAJOLY-CYBMUJFWSA-N 0 0 397.338 3.709 10 0 GHAERN O=C([C@@H](c1ccccc1)N1CCCCC1=O)N1CCC[C@H](c2nccs2)C1 ZINC000171777495 853840310 /nfs/dbraw/zinc/84/03/10/853840310.db2.gz RNXGDBDNNOMBKE-PKOBYXMFSA-N 0 0 383.517 3.603 10 0 GHAERN CCn1nccc1[C@@H]1OCC[C@H]1CNc1nc(C)nc2sc3c(c21)CCC3 ZINC000330057969 862539463 /nfs/dbraw/zinc/53/94/63/862539463.db2.gz YIJSOUISZOAYNL-SCLBCKFNSA-N 0 0 383.521 3.895 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC[C@H](n3cc(C)cn3)C1)O[C@@H](C)C2 ZINC000171887811 854263719 /nfs/dbraw/zinc/26/37/19/854263719.db2.gz WIZCBPHVLYVWDW-RDJZCZTQSA-N 0 0 384.480 3.783 10 0 GHAERN COc1cccc(CS(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000122969014 854317540 /nfs/dbraw/zinc/31/75/40/854317540.db2.gz NRBZEVZWKSHJBJ-IBGZPJMESA-N 0 0 387.501 3.951 10 0 GHAERN Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CC2)no1 ZINC000123240700 854339612 /nfs/dbraw/zinc/33/96/12/854339612.db2.gz RZGKJVPPZXCOGZ-QGZVFWFLSA-N 0 0 384.524 3.869 10 0 GHAERN CC(C)(C)c1csc([C@H]2CN(C(=O)c3ccc4c(n3)CCCC4)CCO2)n1 ZINC000328748577 854526676 /nfs/dbraw/zinc/52/66/76/854526676.db2.gz QLNVJGUBGIKNHB-QGZVFWFLSA-N 0 0 385.533 3.928 10 0 GHAERN O=C1CC[C@@H](NS(=O)(=O)c2csc3ccc(Cl)cc32)C2(CCC2)N1 ZINC000328731158 854539687 /nfs/dbraw/zinc/53/96/87/854539687.db2.gz GKGFMXILABECSV-CQSZACIVSA-N 0 0 384.910 3.875 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2Cc2nc3sc4c(c3c(N)n2)CCCC4)no1 ZINC000328869688 854590162 /nfs/dbraw/zinc/59/01/62/854590162.db2.gz PETBBGFUHQEQAB-ZDUSSCGKSA-N 0 0 398.536 3.996 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCCN(C)[C@@H]4C3)cc2)cc1 ZINC000328957387 854616205 /nfs/dbraw/zinc/61/62/05/854616205.db2.gz NYFMKZIBPAIWOE-NHCUHLMSSA-N 0 0 381.476 3.724 10 0 GHAERN O=C(Nc1cc(Br)c(F)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000189165991 855044976 /nfs/dbraw/zinc/04/49/76/855044976.db2.gz DFHJATYIVSKLTF-QLJPJBMISA-N 0 0 389.240 3.886 10 0 GHAERN Brc1cccc([C@@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)c1 ZINC000105608779 855125041 /nfs/dbraw/zinc/12/50/41/855125041.db2.gz KCBCRGGDFQMKSM-HNNXBMFYSA-N 0 0 390.237 3.666 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000162523038 855191167 /nfs/dbraw/zinc/19/11/67/855191167.db2.gz UITGUBIJHPNNIO-ZDUSSCGKSA-N 0 0 393.317 3.521 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)C2)n1 ZINC000246997043 855433392 /nfs/dbraw/zinc/43/33/92/855433392.db2.gz SYXIEYULDSGRLO-BHIYHBOVSA-N 0 0 397.544 3.767 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N[C@H]1c3ccccc3CCC1(C)C)CC2 ZINC000181673057 855583261 /nfs/dbraw/zinc/58/32/61/855583261.db2.gz VUTAQHWPNABPMK-APWZRJJASA-N 0 0 381.524 3.729 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCCN1C1CCCC1 ZINC000193576423 855919431 /nfs/dbraw/zinc/91/94/31/855919431.db2.gz YOCOQEQJYWQUEC-UXHICEINSA-N 0 0 384.520 3.583 10 0 GHAERN Cc1cc(NC(=O)NC[C@@H](O)Cc2ccccc2)ccc1Oc1cccnc1 ZINC000105018775 856460788 /nfs/dbraw/zinc/46/07/88/856460788.db2.gz UGFWDDLFMSCXEG-IBGZPJMESA-N 0 0 377.444 3.907 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccc(OC(F)F)c2ncccc12 ZINC000105013962 856460828 /nfs/dbraw/zinc/46/08/28/856460828.db2.gz JRESKZDPKXIUBW-AWEZNQCLSA-N 0 0 387.386 3.561 10 0 GHAERN COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccccc2C)c2nccn2C)cc1 ZINC000045597937 856742603 /nfs/dbraw/zinc/74/26/03/856742603.db2.gz PHIVNIJKOYHOEB-OXQOHEQNSA-N 0 0 378.476 3.887 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000172555944 858234061 /nfs/dbraw/zinc/23/40/61/858234061.db2.gz PTFSWPORRGAJAR-QUCCMNQESA-N 0 0 381.524 3.947 10 0 GHAERN Cc1n[nH]cc1CCCNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113575365 858295090 /nfs/dbraw/zinc/29/50/90/858295090.db2.gz LZYKCXYMHMFKGI-IBGZPJMESA-N 0 0 392.507 3.630 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)C2)no1 ZINC000247361865 858345227 /nfs/dbraw/zinc/34/52/27/858345227.db2.gz MMLPFBVKSZPIKA-UFYCRDLUSA-N 0 0 382.508 3.754 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]1c3ccccc3CCC1(C)C)CC2 ZINC000251650156 859096431 /nfs/dbraw/zinc/09/64/31/859096431.db2.gz IZOBAJPGKWJLCJ-ZCNNSNEGSA-N 0 0 386.536 3.662 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](c3ccccc3)CC1)CC2 ZINC000161512388 859668394 /nfs/dbraw/zinc/66/83/94/859668394.db2.gz WOTSFUFQEVIZSG-RTBURBONSA-N 0 0 381.524 3.696 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@H]1c1cc3ccccc3[nH]1)CC2 ZINC000114978240 860035937 /nfs/dbraw/zinc/03/59/37/860035937.db2.gz MERMVVOPVFYMJN-LPHOPBHVSA-N 0 0 392.507 3.573 10 0 GHAERN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(OC)cc1 ZINC000018131616 860200482 /nfs/dbraw/zinc/20/04/82/860200482.db2.gz XLIGGHMKZLYXDE-OAQYLSRUSA-N 0 0 398.478 3.954 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000022190890 860253467 /nfs/dbraw/zinc/25/34/67/860253467.db2.gz VXCLUTCEQAHQDD-BQYQJAHWSA-N 0 0 384.867 3.943 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](N4CCOCC4)C3)cc2)c1 ZINC000173778657 860443050 /nfs/dbraw/zinc/44/30/50/860443050.db2.gz SANNBONQPLVIPO-IBGZPJMESA-N 0 0 381.476 3.726 10 0 GHAERN Cc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c4ncccc34)C2)n1 ZINC000173817334 860443353 /nfs/dbraw/zinc/44/33/53/860443353.db2.gz SUCQYBFHMVABPN-OAHLLOKOSA-N 0 0 387.530 3.876 10 0 GHAERN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000102905030 860620927 /nfs/dbraw/zinc/62/09/27/860620927.db2.gz NRUZMRYPQXKTOG-RTWAWAEBSA-N 0 0 386.467 3.939 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 ZINC000173074035 860695650 /nfs/dbraw/zinc/69/56/50/860695650.db2.gz UYBZSYKVTPLCHE-OALUTQOASA-N 0 0 397.544 3.710 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000102695705 860819763 /nfs/dbraw/zinc/81/97/63/860819763.db2.gz SIJLQSZDSIJZHO-LBPRGKRZSA-N 0 0 378.856 3.655 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)c2ccccc21 ZINC000329087599 861006699 /nfs/dbraw/zinc/00/66/99/861006699.db2.gz VDHPYPRBZUIMAX-YCYVKTGYSA-N 0 0 398.547 3.849 10 0 GHAERN Cc1ccc2c(C)cc(N[C@@H]3CC(=O)N(C4CC4)[C@H]3c3ccnn3C)nc2c1 ZINC000329181214 861112910 /nfs/dbraw/zinc/11/29/10/861112910.db2.gz DRPVGUWYYCWCAX-XMSQKQJNSA-N 0 0 375.476 3.502 10 0 GHAERN O=C([C@H]1CCCN1c1nccs1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000329220984 861162306 /nfs/dbraw/zinc/16/23/06/861162306.db2.gz BRPDHBJBQMTZJT-MSOLQXFVSA-N 0 0 396.516 3.736 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)C1 ZINC000332980275 863388840 /nfs/dbraw/zinc/38/88/40/863388840.db2.gz LZCOECBDYTVVBB-LUKYLMHMSA-N 0 0 378.517 3.844 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(N4CCCC4)nc3)c21 ZINC000103178235 863902104 /nfs/dbraw/zinc/90/21/04/863902104.db2.gz GMQLLOMFRVDCBX-UHFFFAOYSA-N 0 0 377.492 3.513 10 0 GHAERN COc1ccc(NC(C)=O)cc1NC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103233619 863917679 /nfs/dbraw/zinc/91/76/79/863917679.db2.gz UIXCEPKVDXEKHV-UHFFFAOYSA-N 0 0 380.448 3.808 10 0 GHAERN COc1ccccc1SC[C@@H](C)CNC(=O)CCc1nc(C(C)(C)C)no1 ZINC000103421786 863979050 /nfs/dbraw/zinc/97/90/50/863979050.db2.gz PHFPZEWXHGAYLQ-AWEZNQCLSA-N 0 0 391.537 3.853 10 0 GHAERN Cc1ccc(-c2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2C)s1 ZINC000103412748 864015884 /nfs/dbraw/zinc/01/58/84/864015884.db2.gz XBLWSMIWRDIOBS-UHFFFAOYSA-N 0 0 396.497 3.837 10 0 GHAERN Cc1ccccc1-n1ccnc1S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000103621938 864020283 /nfs/dbraw/zinc/02/02/83/864020283.db2.gz CGUKTLGQMLLHAX-UHFFFAOYSA-N 0 0 397.431 3.949 10 0 GHAERN Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483719 864025676 /nfs/dbraw/zinc/02/56/76/864025676.db2.gz ICHVLWWWPWWMGV-OFNKIYASSA-N 0 0 399.556 3.955 10 0 GHAERN CC(C)c1noc([C@@H](NC(=O)[C@@H]2CCCc3sccc32)C2CCOCC2)n1 ZINC000333004709 864073430 /nfs/dbraw/zinc/07/34/30/864073430.db2.gz PEPFTLNUUQCCDK-WBVHZDCISA-N 0 0 389.521 3.959 10 0 GHAERN C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000103975006 864141318 /nfs/dbraw/zinc/14/13/18/864141318.db2.gz RULAXKSYIHDNHE-INIZCTEOSA-N 0 0 395.478 3.693 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000104457019 864325240 /nfs/dbraw/zinc/32/52/40/864325240.db2.gz NXELGFCQXZHJNK-UHFFFAOYSA-N 0 0 384.423 3.902 10 0 GHAERN CCc1cc(N2CCC[C@H]2c2nncn2CC(C)C)nc(-c2ccncc2)n1 ZINC000301347691 865303099 /nfs/dbraw/zinc/30/30/99/865303099.db2.gz HNNROTKNXLBBND-SFHVURJKSA-N 0 0 377.496 3.690 10 0 GHAERN COC(=O)c1sc(N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)nc1Cl ZINC000301954317 865629424 /nfs/dbraw/zinc/62/94/24/865629424.db2.gz KJISSIMIZFZHTG-SNVBAGLBSA-N 0 0 393.856 3.837 10 0 GHAERN Clc1ccc(Cc2nnc(N3CCC(OC4CCOCC4)CC3)s2)cc1 ZINC000302510179 865830268 /nfs/dbraw/zinc/83/02/68/865830268.db2.gz NSOBXAVAEGWJSZ-UHFFFAOYSA-N 0 0 393.940 3.947 10 0 GHAERN Cc1csc(N2CCN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)n1 ZINC000151031664 866570712 /nfs/dbraw/zinc/57/07/12/866570712.db2.gz OEAZRTLSUAEHCA-MRXNPFEDSA-N 0 0 386.521 3.586 10 0 GHAERN COc1cccc(CNC(=O)NCc2ccc(Br)cc2Cl)n1 ZINC000102004694 866591953 /nfs/dbraw/zinc/59/19/53/866591953.db2.gz LGRSCEOYEMVSMY-UHFFFAOYSA-N 0 0 384.661 3.506 10 0 GHAERN O=C(NCc1cscn1)NCc1ccc(Cn2cnc3ccccc32)cc1 ZINC000102011253 866597487 /nfs/dbraw/zinc/59/74/87/866597487.db2.gz ZXMRPCLLAYPFJB-UHFFFAOYSA-N 0 0 377.473 3.541 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000114569794 866767956 /nfs/dbraw/zinc/76/79/56/866767956.db2.gz WRXHQDQAQKCHGK-PMACEKPBSA-N 0 0 398.507 3.964 10 0 GHAERN CCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@H]1c1cccc3ccccc31)CC2 ZINC000114977347 866776834 /nfs/dbraw/zinc/77/68/34/866776834.db2.gz FPMUNQWNRYKXBX-XLIONFOSSA-N 0 0 389.503 3.855 10 0 GHAERN O=C(CCC(=O)Nc1cccc(-c2ncon2)c1)CCC(=O)c1cccs1 ZINC000170632352 882041942 /nfs/dbraw/zinc/04/19/42/882041942.db2.gz UNANJNLHOBRGFI-UHFFFAOYSA-N 0 0 383.429 3.749 10 0 GHAERN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(-c4ncon4)c3)n2)n1 ZINC000170632798 882043970 /nfs/dbraw/zinc/04/39/70/882043970.db2.gz DVDKVSRCOUXARZ-UHFFFAOYSA-N 0 0 394.822 3.840 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000170669671 882044726 /nfs/dbraw/zinc/04/47/26/882044726.db2.gz HYUMFEQBGRULBK-QGZVFWFLSA-N 0 0 379.464 3.677 10 0 GHAERN NC(=O)c1ccc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c(F)c1 ZINC000151348860 867344723 /nfs/dbraw/zinc/34/47/23/867344723.db2.gz GATNIILDIYRDKP-KRWDZBQOSA-N 0 0 383.423 3.883 10 0 GHAERN Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3ccc(F)cc3)CC1)CCC2 ZINC000171885986 882147308 /nfs/dbraw/zinc/14/73/08/882147308.db2.gz VCKBNDUWFDSXHX-UHFFFAOYSA-N 0 0 380.463 3.966 10 0 GHAERN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Cc4ccccn4)CC3)c12 ZINC000171610632 882145768 /nfs/dbraw/zinc/14/57/68/882145768.db2.gz BYUMIFPKXCZUCV-UHFFFAOYSA-N 0 0 376.460 3.899 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171721842 882156260 /nfs/dbraw/zinc/15/62/60/882156260.db2.gz WNUFBSXGBXXZIN-MJGOQNOKSA-N 0 0 381.501 3.813 10 0 GHAERN Cc1cccnc1[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000172082848 882167639 /nfs/dbraw/zinc/16/76/39/882167639.db2.gz ISRMDVGLBVWHHR-HXUWFJFHSA-N 0 0 397.494 3.895 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H](C)c1cccnc1 ZINC000172145839 882173254 /nfs/dbraw/zinc/17/32/54/882173254.db2.gz MHVXYGPAVYHKOE-INIZCTEOSA-N 0 0 383.467 3.683 10 0 GHAERN COc1ccc(OC)c([C@@H]2CCCN2C(=O)NC[C@@H](CCO)c2ccccc2)c1 ZINC000172634983 882281187 /nfs/dbraw/zinc/28/11/87/882281187.db2.gz YABDITPITJCMEV-NQIIRXRSSA-N 0 0 398.503 3.717 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000092145221 882281216 /nfs/dbraw/zinc/28/12/16/882281216.db2.gz PRGYQJWFCJYXKY-UHFFFAOYSA-N 0 0 380.964 3.667 10 0 GHAERN CN(C)c1cccc([C@@H]2CCCN2C(=O)NC[C@H](CCO)c2ccccc2)c1 ZINC000172639522 882282210 /nfs/dbraw/zinc/28/22/10/882282210.db2.gz HVFXRPQUBRWNNG-UNMCSNQZSA-N 0 0 381.520 3.765 10 0 GHAERN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000172497653 882290161 /nfs/dbraw/zinc/29/01/61/882290161.db2.gz XMROGMNKVXJLQD-RWYJCYHVSA-N 0 0 386.517 3.514 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000172610742 882299655 /nfs/dbraw/zinc/29/96/55/882299655.db2.gz BVGHDCVQMBAWLX-ZBFHGGJFSA-N 0 0 383.521 3.619 10 0 GHAERN Cc1cc(C)cc(CCNC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000172710726 882300682 /nfs/dbraw/zinc/30/06/82/882300682.db2.gz PMGSXICRPWHCTJ-UHFFFAOYSA-N 0 0 385.552 3.670 10 0 GHAERN O=C(Nc1cccc(OC2CCCC2)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172742487 882304323 /nfs/dbraw/zinc/30/43/23/882304323.db2.gz BCDZCRIQZADWPA-UHFFFAOYSA-N 0 0 393.487 3.894 10 0 GHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172738752 882305045 /nfs/dbraw/zinc/30/50/45/882305045.db2.gz JJPHDCRLUJQSBS-MRXNPFEDSA-N 0 0 391.471 3.900 10 0 GHAERN COc1ccccc1-c1nnc(C[S@@](=O)Cc2nc3ccccc3s2)o1 ZINC000172824394 882310199 /nfs/dbraw/zinc/31/01/99/882310199.db2.gz OHKOALZNXDGOIW-AREMUKBSSA-N 0 0 385.470 3.804 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1OC(F)F ZINC000172830468 882312287 /nfs/dbraw/zinc/31/22/87/882312287.db2.gz NVPQUFUSAIBHHM-AWEZNQCLSA-N 0 0 382.363 3.869 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)ccc1OC ZINC000173080763 882319956 /nfs/dbraw/zinc/31/99/56/882319956.db2.gz DWVNJRUOSSQNQN-SOGBHIHOSA-N 0 0 385.464 3.977 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000172915205 882323914 /nfs/dbraw/zinc/32/39/14/882323914.db2.gz NEUJIEHLQKVSJY-VXKWHMMOSA-N 0 0 396.487 3.639 10 0 GHAERN CSCCc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000172961009 882325417 /nfs/dbraw/zinc/32/54/17/882325417.db2.gz DIBNBASFMOJIFR-IBGZPJMESA-N 0 0 383.517 3.621 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCC(=O)N3Cc3ccc(C)cc3)CC2)n1 ZINC000172996374 882330642 /nfs/dbraw/zinc/33/06/42/882330642.db2.gz YYGYMODNYFQSAO-LJQANCHMSA-N 0 0 397.544 3.657 10 0 GHAERN COc1cccc([C@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2C)c1 ZINC000173004798 882331770 /nfs/dbraw/zinc/33/17/70/882331770.db2.gz DKEOOCNBLDURSK-HXUWFJFHSA-N 0 0 379.460 3.511 10 0 GHAERN CC(C)[C@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173026802 882333048 /nfs/dbraw/zinc/33/30/48/882333048.db2.gz FVJHETLAXDKIED-OAQYLSRUSA-N 0 0 379.504 3.790 10 0 GHAERN O=C(C1CCN(C(=O)[C@@H]2SCCc3sccc32)CC1)N1CCCCCC1 ZINC000173126061 882351653 /nfs/dbraw/zinc/35/16/53/882351653.db2.gz UYKYPDDCUQVZNX-GOSISDBHSA-N 0 0 392.590 3.720 10 0 GHAERN COc1ccc(CN(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1C ZINC000173377658 882357936 /nfs/dbraw/zinc/35/79/36/882357936.db2.gz DPXDLXAAVFEEFI-UHFFFAOYSA-N 0 0 382.508 3.517 10 0 GHAERN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000173730439 882369768 /nfs/dbraw/zinc/36/97/68/882369768.db2.gz KCZWKAWQXKEPAJ-KRWDZBQOSA-N 0 0 377.488 3.542 10 0 GHAERN Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092512353 882383074 /nfs/dbraw/zinc/38/30/74/882383074.db2.gz CTHBWOWFAUUBMR-BQYQJAHWSA-N 0 0 391.874 3.742 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cn2)n1 ZINC000114777548 870173541 /nfs/dbraw/zinc/17/35/41/870173541.db2.gz CPYUTKFDITUCNR-OAHLLOKOSA-N 0 0 382.493 3.752 10 0 GHAERN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000187660338 870258431 /nfs/dbraw/zinc/25/84/31/870258431.db2.gz MDTSWCZYWNHJTI-RBUKOAKNSA-N 0 0 392.927 3.512 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(N2CCCC2)ccn1 ZINC000189382219 870298113 /nfs/dbraw/zinc/29/81/13/870298113.db2.gz PQQICKDRIATMEZ-IEBWSBKVSA-N 0 0 389.858 3.734 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000190064869 870318965 /nfs/dbraw/zinc/31/89/65/870318965.db2.gz WDCLZJHYGGESLC-HUBLWGQQSA-N 0 0 382.917 3.898 10 0 GHAERN O=C(c1cc(N2CCNC2=O)ccc1Cl)N1CC=C(c2cccs2)CC1 ZINC000173817462 882406618 /nfs/dbraw/zinc/40/66/18/882406618.db2.gz IAKRMVNWFREHAP-UHFFFAOYSA-N 0 0 387.892 3.861 10 0 GHAERN O=C(c1ccc(Br)cn1)N1CCC(Nc2ccccc2F)CC1 ZINC000174079527 882422207 /nfs/dbraw/zinc/42/22/07/882422207.db2.gz SXRDMGLGLCQAFM-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000114808587 870628804 /nfs/dbraw/zinc/62/88/04/870628804.db2.gz BPTBMZCRSCFWGG-INIZCTEOSA-N 0 0 386.521 3.700 10 0 GHAERN COC(=O)c1cc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(F)cc1F ZINC000114809231 870630503 /nfs/dbraw/zinc/63/05/03/870630503.db2.gz YMOXGFFHCJFPRN-JTQLQIEISA-N 0 0 381.404 3.619 10 0 GHAERN COCCCOc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114811545 870636936 /nfs/dbraw/zinc/63/69/36/870636936.db2.gz NFGJALUVUUAOOC-OAHLLOKOSA-N 0 0 375.494 3.970 10 0 GHAERN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@H]2CCCC[C@@H]21 ZINC000065107913 870644525 /nfs/dbraw/zinc/64/45/25/870644525.db2.gz WRHCSMGKDSDVQK-KBPBESRZSA-N 0 0 390.281 3.623 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC(Nc5cccnn5)CC4)cc3c2C1 ZINC000109639040 870647726 /nfs/dbraw/zinc/64/77/26/870647726.db2.gz WVKZOKZQVKNFAX-OAHLLOKOSA-N 0 0 389.503 3.799 10 0 GHAERN O=C(CN1C(=O)CSc2ccccc21)O[C@@H](c1ccccc1)c1cccnc1 ZINC000102968473 870869237 /nfs/dbraw/zinc/86/92/37/870869237.db2.gz ZKRIGDKSPSLZEP-QFIPXVFZSA-N 0 0 390.464 3.853 10 0 GHAERN CCOC(=O)N(C)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000174365211 882458423 /nfs/dbraw/zinc/45/84/23/882458423.db2.gz JDENNJFGBNBFGB-ROUUACIJSA-N 0 0 385.468 3.781 10 0 GHAERN O=C([C@H]1C[C@]12CCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035257 882518300 /nfs/dbraw/zinc/51/83/00/882518300.db2.gz NGDBMYZTCLUVOD-QPPBQGQZSA-N 0 0 380.532 3.532 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174867834 882532337 /nfs/dbraw/zinc/53/23/37/882532337.db2.gz AUCXMNNYJICSJA-XKGZKEIXSA-N 0 0 396.512 3.604 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000174858502 882532703 /nfs/dbraw/zinc/53/27/03/882532703.db2.gz WNZHDENZYVNPHF-FGZHOGPDSA-N 0 0 392.499 3.537 10 0 GHAERN Cc1cc(=O)oc2cc(OC(=O)c3cccc(C(=O)N(C)C)c3)c(Cl)cc12 ZINC000103330538 871777583 /nfs/dbraw/zinc/77/75/83/871777583.db2.gz NQQLPQHURVQMJH-UHFFFAOYSA-N 0 0 385.803 3.676 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc4cc(F)ccc4oc3=O)C2)c1 ZINC000175399547 882550243 /nfs/dbraw/zinc/55/02/43/882550243.db2.gz UOWKMEPGFDUGNN-ZDUSSCGKSA-N 0 0 397.402 3.579 10 0 GHAERN Cc1nc(-c2cccs2)sc1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103444535 872001017 /nfs/dbraw/zinc/00/10/17/872001017.db2.gz CPNZDCUEJJNRMJ-UHFFFAOYSA-N 0 0 381.523 3.825 10 0 GHAERN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N(C)c2ccc(C)cc2)cc1OC ZINC000101526993 872065889 /nfs/dbraw/zinc/06/58/89/872065889.db2.gz JDSZKXSTGRIMQE-ZBFHGGJFSA-N 0 0 382.460 3.883 10 0 GHAERN C[C@@]1(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)CC1(Cl)Cl ZINC000175429211 882579121 /nfs/dbraw/zinc/57/91/21/882579121.db2.gz SANUBPCQKXQTEZ-UGSOOPFHSA-N 0 0 381.303 3.713 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N2CCC(OCC3CCCC3)CC2)c1 ZINC000175621339 882605692 /nfs/dbraw/zinc/60/56/92/882605692.db2.gz BJEJQANNGVKULD-UHFFFAOYSA-N 0 0 375.509 3.834 10 0 GHAERN CN(CCc1ccc(F)cc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102027671 872492143 /nfs/dbraw/zinc/49/21/43/872492143.db2.gz GEDRELGSAGWSPC-UHFFFAOYSA-N 0 0 393.503 3.657 10 0 GHAERN Cc1cccc([C@H](NC(=O)NCc2cccnc2-n2cncn2)C(C)(C)C)c1 ZINC000175759786 882622469 /nfs/dbraw/zinc/62/24/69/882622469.db2.gz ADVWYYCIUNPXAR-SFHVURJKSA-N 0 0 378.480 3.557 10 0 GHAERN Cc1ccccc1[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)C(C)(C)C ZINC000175759613 882623010 /nfs/dbraw/zinc/62/30/10/882623010.db2.gz MAOJKYWQUTYJAC-OAQYLSRUSA-N 0 0 398.551 3.860 10 0 GHAERN C[S@](=O)c1ccc(NC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000175807934 882634715 /nfs/dbraw/zinc/63/47/15/882634715.db2.gz JKULSGBNLHBJHH-SANMLTNESA-N 0 0 376.453 3.638 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3coc(Br)c3)C2)o1 ZINC000102142209 872638853 /nfs/dbraw/zinc/63/88/53/872638853.db2.gz SKJMOHWLHVQKEP-LBPRGKRZSA-N 0 0 396.237 3.653 10 0 GHAERN O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ncncc1Cl ZINC000176171013 882642686 /nfs/dbraw/zinc/64/26/86/882642686.db2.gz HTGOOZIAIDKILL-UHFFFAOYSA-N 0 0 386.818 3.506 10 0 GHAERN O=C(CCCc1ccc(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000176196850 882643576 /nfs/dbraw/zinc/64/35/76/882643576.db2.gz ZLGTYSRKGQTRMX-UHFFFAOYSA-N 0 0 392.490 3.929 10 0 GHAERN NC(=O)c1ccc(C=CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1 ZINC000175967027 882652532 /nfs/dbraw/zinc/65/25/32/882652532.db2.gz KHSBZCHMWILIFG-NWMLYGLHSA-N 0 0 396.450 3.581 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176433955 882693496 /nfs/dbraw/zinc/69/34/96/882693496.db2.gz ATOSLJJMIBMBJC-HYSAVQALSA-N 0 0 387.487 3.930 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102729379 873515866 /nfs/dbraw/zinc/51/58/66/873515866.db2.gz CYMGAZDBPWFDNA-RDTXWAMCSA-N 0 0 397.450 3.509 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3occc3COc3ccccc3)CC2)n1 ZINC000116667552 873614608 /nfs/dbraw/zinc/61/46/08/873614608.db2.gz JAUNXQCCNIVHIR-UHFFFAOYSA-N 0 0 391.471 3.961 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3coc(-c4ccc(F)cc4)n3)CC2)n1 ZINC000116667876 873614840 /nfs/dbraw/zinc/61/48/40/873614840.db2.gz FASXRWMJKNUYSL-UHFFFAOYSA-N 0 0 394.450 3.512 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC000116818651 873726767 /nfs/dbraw/zinc/72/67/67/873726767.db2.gz FJWCZUMIMSIEGQ-HXUWFJFHSA-N 0 0 396.512 3.868 10 0 GHAERN O=C(NCCCO)c1ccc(NCc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000177244326 882776102 /nfs/dbraw/zinc/77/61/02/882776102.db2.gz KKYZUOMLUJAMHQ-UHFFFAOYSA-N 0 0 385.851 3.719 10 0 GHAERN CCCc1noc(CCCC(=O)Nc2cc3ccccc3cc2C(=O)OC)n1 ZINC000103979812 874043214 /nfs/dbraw/zinc/04/32/14/874043214.db2.gz QGKNYFLYBBRFHZ-UHFFFAOYSA-N 0 0 381.432 3.923 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177390514 882792246 /nfs/dbraw/zinc/79/22/46/882792246.db2.gz SEIVPNGERNRKNV-GOSISDBHSA-N 0 0 395.438 3.584 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)oc2c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177273763 882814351 /nfs/dbraw/zinc/81/43/51/882814351.db2.gz YWCJWDIJBDEQCJ-CYBMUJFWSA-N 0 0 396.472 3.506 10 0 GHAERN COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177621813 882837824 /nfs/dbraw/zinc/83/78/24/882837824.db2.gz JOSSOIXRTUDIAQ-FQEVSTJZSA-N 0 0 399.535 3.507 10 0 GHAERN O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161899235 874783195 /nfs/dbraw/zinc/78/31/95/874783195.db2.gz PNAXCLCCUIQDLS-VQTJNVASSA-N 0 0 375.557 3.826 10 0 GHAERN Cc1ccc(N2C[C@H](C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)CC2=O)cc1 ZINC000104919623 874849618 /nfs/dbraw/zinc/84/96/18/874849618.db2.gz FTMZYPKKUMSQMB-MJGOQNOKSA-N 0 0 398.528 3.617 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000105597638 875341341 /nfs/dbraw/zinc/34/13/41/875341341.db2.gz LIZRPVVLGZVWAD-IJDCCNJMSA-N 0 0 376.460 3.774 10 0 GHAERN O=C(NC1CCCC1)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000174596067 875533384 /nfs/dbraw/zinc/53/33/84/875533384.db2.gz FPPWRZXFCXELDP-DOTOQJQBSA-N 0 0 390.553 3.561 10 0 GHAERN O=C(c1ccc(-n2cnc3ccccc32)nc1)N1CCC[C@H](c2nccs2)C1 ZINC000179366128 882965522 /nfs/dbraw/zinc/96/55/22/882965522.db2.gz IOIDEANWOLMROA-INIZCTEOSA-N 0 0 389.484 3.897 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(N4CCCC4=O)c3)CCO2)o1 ZINC000179186269 882978197 /nfs/dbraw/zinc/97/81/97/882978197.db2.gz OXSKFDOGSVQDLT-JXFKEZNVSA-N 0 0 397.475 3.559 10 0 GHAERN CCN(Cc1ccccc1)c1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000120355116 875947423 /nfs/dbraw/zinc/94/74/23/875947423.db2.gz WZJOVSDCCGQQFI-UHFFFAOYSA-N 0 0 389.503 3.782 10 0 GHAERN O=C(NC1CCN(C(=O)Nc2c[nH]nc2-c2ccccc2)CC1)c1ccccc1 ZINC000179476926 883001962 /nfs/dbraw/zinc/00/19/62/883001962.db2.gz MXSLCMYOLCJTIB-UHFFFAOYSA-N 0 0 389.459 3.503 10 0 GHAERN C[C@@H](NCc1ncc(-c2ccccc2F)o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179821066 883030104 /nfs/dbraw/zinc/03/01/04/883030104.db2.gz QFMNDVBVXQLYRQ-GFCCVEGCSA-N 0 0 392.427 3.874 10 0 GHAERN CC1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)Cc2ccccc2C1 ZINC000180260097 883070774 /nfs/dbraw/zinc/07/07/74/883070774.db2.gz NOPXEDXUEANOSH-UHFFFAOYSA-N 0 0 394.490 3.599 10 0 GHAERN Cc1nc([C@H](NC(=O)NC2(c3ccccc3)CCC2)c2ccccc2F)no1 ZINC000121482465 877108740 /nfs/dbraw/zinc/10/87/40/877108740.db2.gz PHDUNACRTAPTLI-GOSISDBHSA-N 0 0 380.423 3.985 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCCc3ccc4c(c3)CC(=O)N4)C2)cc1 ZINC000121879831 877920183 /nfs/dbraw/zinc/92/01/83/877920183.db2.gz XOAAHBNGTMCKLV-UZLBHIALSA-N 0 0 392.499 3.917 10 0 GHAERN CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000003469486 879019113 /nfs/dbraw/zinc/01/91/13/879019113.db2.gz BRJOQDBUCJZMKS-UHFFFAOYSA-N 0 0 385.464 3.532 10 0 GHAERN CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](CC)N(C)C ZINC000003548868 879062099 /nfs/dbraw/zinc/06/20/99/879062099.db2.gz MZEYSJSJXGDJSK-MRXNPFEDSA-N 0 0 393.532 3.961 10 0 GHAERN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000285434328 879314435 /nfs/dbraw/zinc/31/44/35/879314435.db2.gz PAVHTEVPNHIMGH-JLHGSKIFSA-N 0 0 399.512 3.700 10 0 GHAERN CC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)c1 ZINC000123406160 880399139 /nfs/dbraw/zinc/39/91/39/880399139.db2.gz INSUOGBUXYLUHT-NRFANRHFSA-N 0 0 395.503 3.522 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000103510088 881243821 /nfs/dbraw/zinc/24/38/21/881243821.db2.gz AJFBYOKWYVPPTH-UHFFFAOYSA-N 0 0 393.381 3.559 10 0 GHAERN CC(C)c1ccc([C@@H](C)CC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000181916989 883192253 /nfs/dbraw/zinc/19/22/53/883192253.db2.gz CHKNZNARDCPSRU-SFHVURJKSA-N 0 0 383.536 3.899 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c2)oc1C ZINC000098028529 883203330 /nfs/dbraw/zinc/20/33/30/883203330.db2.gz WGNIELFPQIIQIF-HNNXBMFYSA-N 0 0 398.507 3.675 10 0 GHAERN Cc1csc(C2CCN(Cc3nnc(C(=O)Nc4ccccc4)s3)CC2)n1 ZINC000182423226 883220665 /nfs/dbraw/zinc/22/06/65/883220665.db2.gz UKPHXYNKLAXWIQ-UHFFFAOYSA-N 0 0 399.545 3.935 10 0 GHAERN COCc1ccccc1COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000182501939 883224279 /nfs/dbraw/zinc/22/42/79/883224279.db2.gz UNEQPOHRUNDDAE-UHFFFAOYSA-N 0 0 385.435 3.568 10 0 GHAERN Cn1cnc2cc(C(=O)N3CCC(c4nc5cc(Cl)ccc5o4)CC3)cnc21 ZINC000183629372 883291269 /nfs/dbraw/zinc/29/12/69/883291269.db2.gz RLQFTNWHGQZOGF-UHFFFAOYSA-N 0 0 395.850 3.783 10 0 GHAERN CCN(C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)[C@@H](C)c1cccnc1 ZINC000184014286 883297757 /nfs/dbraw/zinc/29/77/57/883297757.db2.gz ZDFRZCBYRLWXBC-BTYIYWSLSA-N 0 0 398.482 3.807 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccccc2F)c2ccc(F)cc2C1 ZINC000184021713 883299308 /nfs/dbraw/zinc/29/93/08/883299308.db2.gz ATFRNRUFMWNIQK-FQEVSTJZSA-N 0 0 387.430 3.600 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183905239 883309017 /nfs/dbraw/zinc/30/90/17/883309017.db2.gz CLXVJYDESFUKFM-LJQANCHMSA-N 0 0 387.447 3.903 10 0 GHAERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184072713 883315297 /nfs/dbraw/zinc/31/52/97/883315297.db2.gz GLAQYTPRJDDDKM-UHFFFAOYSA-N 0 0 395.507 3.729 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1C ZINC000184050511 883331275 /nfs/dbraw/zinc/33/12/75/883331275.db2.gz BJISEWCNLZYYFB-MRXNPFEDSA-N 0 0 392.839 3.942 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCCN(c2ccccn2)CC1 ZINC000184060423 883332022 /nfs/dbraw/zinc/33/20/22/883332022.db2.gz OZHCUAJQYGVPBD-UHFFFAOYSA-N 0 0 377.448 3.844 10 0 GHAERN C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000184715817 883380814 /nfs/dbraw/zinc/38/08/14/883380814.db2.gz RTGCORZYVIRVJQ-YUMQZZPRSA-N 0 0 396.378 3.622 10 0 GHAERN COC(=O)[C@@H](C)CN(Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515418 883508252 /nfs/dbraw/zinc/50/82/52/883508252.db2.gz BAAHSJNVMWNUMG-INIZCTEOSA-N 0 0 395.459 3.557 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc3ncsc3c2)c2ccc(F)cc2C1 ZINC000185533559 883551274 /nfs/dbraw/zinc/55/12/74/883551274.db2.gz DVCIFJCPDOJCFX-QGZVFWFLSA-N 0 0 383.448 3.659 10 0 GHAERN COc1ccc(Cl)cc1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185533400 883551680 /nfs/dbraw/zinc/55/16/80/883551680.db2.gz UFSLZGXLPWDUGC-SFHVURJKSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)CCOc2ccccc2)c2ccc(F)cc2C1 ZINC000185538213 883552524 /nfs/dbraw/zinc/55/25/24/883552524.db2.gz GDXDOTVCHNXGIZ-ZHRRBRCNSA-N 0 0 398.478 3.840 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Cc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185547349 883554102 /nfs/dbraw/zinc/55/41/02/883554102.db2.gz SWFVUAGXXGEKTI-AOMKIAJQSA-N 0 0 382.479 3.922 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2sccc2OC(F)F)c2ccc(F)cc2C1 ZINC000185544151 883554193 /nfs/dbraw/zinc/55/41/93/883554193.db2.gz IAZQWSVAETYAET-AWEZNQCLSA-N 0 0 398.406 3.712 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)c2ccc(F)cc2C1 ZINC000185559635 883557065 /nfs/dbraw/zinc/55/70/65/883557065.db2.gz AKOCWLUJXCSCGE-GOSISDBHSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cccc(N(C)C)c2C)c2ccc(F)cc2C1 ZINC000185633832 883569233 /nfs/dbraw/zinc/56/92/33/883569233.db2.gz FKFLIKKYHYZYPT-FQEVSTJZSA-N 0 0 398.482 3.815 10 0 GHAERN CCN(CC)c1ccc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185685479 883573315 /nfs/dbraw/zinc/57/33/15/883573315.db2.gz BXYFSTPEUUERQU-QFIPXVFZSA-N 0 0 397.494 3.895 10 0 GHAERN O=C(c1cnc(Cc2ccccc2F)s1)N1CCCN(c2ccccn2)CC1 ZINC000185928502 883589984 /nfs/dbraw/zinc/58/99/84/883589984.db2.gz NQZAUWPKJRYWQT-UHFFFAOYSA-N 0 0 396.491 3.621 10 0 GHAERN CC(C)(C)OC(=O)NCc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)co1 ZINC000186560184 883664645 /nfs/dbraw/zinc/66/46/45/883664645.db2.gz FWJZQMOBGZTTDF-CYBMUJFWSA-N 0 0 391.493 3.781 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3nnc(-c4ccccc4)s3)ccc2NC1=O ZINC000186582427 883665850 /nfs/dbraw/zinc/66/58/50/883665850.db2.gz IKZDHCNECXVJGE-UHFFFAOYSA-N 0 0 394.460 3.504 10 0 GHAERN Cc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CC2)c1C ZINC000186607081 883673286 /nfs/dbraw/zinc/67/32/86/883673286.db2.gz PUDOBDMSMTXQAE-UHFFFAOYSA-N 0 0 393.491 3.635 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccc(F)cc2)O1 ZINC000186618118 883675392 /nfs/dbraw/zinc/67/53/92/883675392.db2.gz FZUIXESQLALMMU-YJYMSZOUSA-N 0 0 398.438 3.797 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](c3ccccc3)c3ccncc3)ccc2NC1=O ZINC000186613010 883675412 /nfs/dbraw/zinc/67/54/12/883675412.db2.gz MSXHHOJHEVTPOQ-HXUWFJFHSA-N 0 0 387.443 3.970 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NCCC[C@H]3CCCCO3)C2)c1 ZINC000186630098 883677540 /nfs/dbraw/zinc/67/75/40/883677540.db2.gz DJARNKOJKNCJKQ-SJLPKXTDSA-N 0 0 376.497 3.552 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(-n2cccn2)c1 ZINC000186659364 883683086 /nfs/dbraw/zinc/68/30/86/883683086.db2.gz FQNSTVMKMBJSDH-AWEZNQCLSA-N 0 0 390.447 3.732 10 0 GHAERN CCOc1cc2c(cc1NC(=O)Cc1coc(-c3ccc(F)cc3)n1)OCCO2 ZINC000186695628 883687636 /nfs/dbraw/zinc/68/76/36/883687636.db2.gz IVMRQRKNIGTLQN-UHFFFAOYSA-N 0 0 398.390 3.832 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCC(c3nc(N(C)C)no3)CC2)cc1 ZINC000186783683 883702231 /nfs/dbraw/zinc/70/22/31/883702231.db2.gz XUAGKDZTDXEDCO-RBUKOAKNSA-N 0 0 382.508 3.769 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000186848597 883723614 /nfs/dbraw/zinc/72/36/14/883723614.db2.gz HIONITQZTHPMBI-AWEZNQCLSA-N 0 0 378.425 3.588 10 0 GHAERN COCCCN(CCO)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000186980061 883740637 /nfs/dbraw/zinc/74/06/37/883740637.db2.gz ACRHVFBKWZSXQB-KRWDZBQOSA-N 0 0 382.913 3.531 10 0 GHAERN Cc1ccccc1C(=O)NC1CCN(CCC(=O)c2ccc(F)cc2F)CC1 ZINC000187203820 883766036 /nfs/dbraw/zinc/76/60/36/883766036.db2.gz ZRXRNWUERNPPRT-UHFFFAOYSA-N 0 0 386.442 3.740 10 0 GHAERN COc1ncnc2c1CN(C(=O)Nc1ccc(OC(C)C)cc1Cl)CC2 ZINC000187262760 883774267 /nfs/dbraw/zinc/77/42/67/883774267.db2.gz ZCXGBJYFZWUGRT-UHFFFAOYSA-N 0 0 376.844 3.516 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1 ZINC000187850840 883809613 /nfs/dbraw/zinc/80/96/13/883809613.db2.gz PNKILWPDNBNHMO-QUCCMNQESA-N 0 0 396.487 3.581 10 0 GHAERN CCOc1c(Cl)cccc1CC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000188033058 883819968 /nfs/dbraw/zinc/81/99/68/883819968.db2.gz ZVLSYJKBNYLBKA-UHFFFAOYSA-N 0 0 387.911 3.770 10 0 GHAERN CC(C)c1nnc2n1CCN(Cc1nc3cc(C(F)(F)F)ccc3n1C)[C@@H]2C ZINC000188480665 883852893 /nfs/dbraw/zinc/85/28/93/883852893.db2.gz MUHVGKGTGDQOCH-GFCCVEGCSA-N 0 0 392.429 3.884 10 0 GHAERN CC(C)c1ccc(C(=O)N2CCC(c3ccnn3CCO)CC2)cc1Cl ZINC000188658026 883868727 /nfs/dbraw/zinc/86/87/27/883868727.db2.gz QFVOHEOXLQWRPK-UHFFFAOYSA-N 0 0 375.900 3.672 10 0 GHAERN CN(C)c1ccc(Cl)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188971000 883893834 /nfs/dbraw/zinc/89/38/34/883893834.db2.gz WJQSVEDKFBJCLP-UHFFFAOYSA-N 0 0 379.917 3.971 10 0 GHAERN Cc1nnc(-c2cccc(NC(=O)C(=O)N(C3CC3)C3CCC(C)CC3)c2)o1 ZINC000189071416 883902005 /nfs/dbraw/zinc/90/20/05/883902005.db2.gz AZYLSBVDKCIOST-UHFFFAOYSA-N 0 0 382.464 3.553 10 0 GHAERN C[C@@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000189159091 883909121 /nfs/dbraw/zinc/90/91/21/883909121.db2.gz RXNYVBXNJPPCPP-LLVKDONJSA-N 0 0 384.386 3.750 10 0 GHAERN Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000189345688 883938847 /nfs/dbraw/zinc/93/88/47/883938847.db2.gz LGJPBHFVPAUORE-ZTFGCOKTSA-N 0 0 388.851 3.791 10 0 GHAERN O=C(Nc1cccnc1-c1ccc(Cl)s1)N1CCC(n2cncn2)CC1 ZINC000189527122 883960553 /nfs/dbraw/zinc/96/05/53/883960553.db2.gz GLXAXLIWJCRCJR-UHFFFAOYSA-N 0 0 388.884 3.924 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2cc(F)ccc2F)C1)c1nnc2ccccn21 ZINC000189898875 884006550 /nfs/dbraw/zinc/00/65/50/884006550.db2.gz ATOACWRSKOOLBV-KBPBESRZSA-N 0 0 385.418 3.658 10 0 GHAERN O=C(CCc1nc(-c2ccco2)no1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190264491 884061796 /nfs/dbraw/zinc/06/17/96/884061796.db2.gz SIONOUMILHCUEH-ZDUSSCGKSA-N 0 0 387.386 3.947 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000190276723 884062903 /nfs/dbraw/zinc/06/29/03/884062903.db2.gz BHNIHIYYTCGENU-HNNXBMFYSA-N 0 0 393.455 3.778 10 0 GHAERN Cc1nc2cc(F)cc(C(=O)N3CCC(Nc4nccs4)CC3)c2nc1C ZINC000190382925 884073452 /nfs/dbraw/zinc/07/34/52/884073452.db2.gz AJMLGHMPXPWBKV-UHFFFAOYSA-N 0 0 385.468 3.559 10 0 GHAERN Cc1nccn1CCCCNC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190842838 884115961 /nfs/dbraw/zinc/11/59/61/884115961.db2.gz UDTHYFQORZDWTI-MRXNPFEDSA-N 0 0 376.451 3.839 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3cccc(C(F)F)c3)CC2)n1 ZINC000191919370 884221122 /nfs/dbraw/zinc/22/11/22/884221122.db2.gz CDFLURUPKDMLPV-UHFFFAOYSA-N 0 0 377.395 3.531 10 0 GHAERN COCc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000192805933 884302393 /nfs/dbraw/zinc/30/23/93/884302393.db2.gz IRMVCRGPUOYHHB-HXUWFJFHSA-N 0 0 390.439 3.632 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000193249506 884333430 /nfs/dbraw/zinc/33/34/30/884333430.db2.gz BOVVNXOBRKMMBI-QAPCUYQASA-N 0 0 399.516 3.565 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000193249517 884333508 /nfs/dbraw/zinc/33/35/08/884333508.db2.gz BOVVNXOBRKMMBI-CRAIPNDOSA-N 0 0 399.516 3.565 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1ccco1)Cc1ccco1 ZINC000193261633 884335285 /nfs/dbraw/zinc/33/52/85/884335285.db2.gz ACRYHCNTKTXICL-GOSISDBHSA-N 0 0 379.416 3.710 10 0 GHAERN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O ZINC000102826226 884485958 /nfs/dbraw/zinc/48/59/58/884485958.db2.gz UTMMTCXJWXDOBX-LJQANCHMSA-N 0 0 396.878 3.919 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000105185572 884663632 /nfs/dbraw/zinc/66/36/32/884663632.db2.gz VHAGZYRQJUZUAO-HNNXBMFYSA-N 0 0 377.435 3.791 10 0 GHAERN c1cc(-c2noc(COc3ccc(-c4noc([C@@H]5CCCO5)n4)cc3)n2)co1 ZINC000105573787 884813191 /nfs/dbraw/zinc/81/31/91/884813191.db2.gz ROXMNLRCACAUSQ-HNNXBMFYSA-N 0 0 380.360 3.810 10 0 GHAERN O=C(NCCc1nc2ccccc2[nH]1)NCc1csc(-c2ccccc2)n1 ZINC000105776881 884856050 /nfs/dbraw/zinc/85/60/50/884856050.db2.gz HBMBDXIXVJDOSL-UHFFFAOYSA-N 0 0 377.473 3.728 10 0 GHAERN CSc1ccc(N2C[C@H](C(=O)NCc3ccc(OC(C)C)cc3)CC2=O)cc1 ZINC000105894340 884902034 /nfs/dbraw/zinc/90/20/34/884902034.db2.gz WEMUQYWINSTXSC-QGZVFWFLSA-N 0 0 398.528 3.865 10 0 GHAERN CN1CC[C@@H](CNC(=O)Nc2ccc(CN3CCCC3=O)cc2)c2ccccc21 ZINC000193514758 884910725 /nfs/dbraw/zinc/91/07/25/884910725.db2.gz NZVDOLDUSXQPQZ-SFHVURJKSA-N 0 0 392.503 3.554 10 0 GHAERN O=C(NCc1ccccc1-n1cccn1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103181128 885986994 /nfs/dbraw/zinc/98/69/94/885986994.db2.gz IPKHOTZGRLWCRO-JOCHJYFZSA-N 0 0 383.455 3.856 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3ccccc3C(F)(F)F)cc2)n1 ZINC000104325876 886003186 /nfs/dbraw/zinc/00/31/86/886003186.db2.gz SBIZCENVJCCWCL-UHFFFAOYSA-N 0 0 387.361 3.945 10 0 GHAERN CCN(C(=O)[C@@H](C)[S@@](=O)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000105689856 886019454 /nfs/dbraw/zinc/01/94/54/886019454.db2.gz PNIOTIQLYUEFPW-WVDZOPJMSA-N 0 0 397.500 3.735 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000106165755 886027376 /nfs/dbraw/zinc/02/73/76/886027376.db2.gz QQAAYPJYKFYXIV-UHFFFAOYSA-N 0 0 381.307 3.620 10 0 GHAERN O=C(c1cccc(OCc2ccccc2)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000110874535 886212887 /nfs/dbraw/zinc/21/28/87/886212887.db2.gz BNKVJHCVPXZEIP-LJQANCHMSA-N 0 0 380.469 3.936 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc(F)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000112855609 886274867 /nfs/dbraw/zinc/27/48/67/886274867.db2.gz IDWVIECFVMHGAO-OALUTQOASA-N 0 0 390.474 3.710 10 0 GHAERN Cc1noc2ncc(C(=O)N3CCC[C@@H](c4nc(-c5ccccc5)c[nH]4)C3)cc12 ZINC000113217153 886286728 /nfs/dbraw/zinc/28/67/28/886286728.db2.gz SMUPJIPUMKPTCG-MRXNPFEDSA-N 0 0 387.443 3.941 10 0 GHAERN CC(=O)Nc1nc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cs1 ZINC000113217133 886286862 /nfs/dbraw/zinc/28/68/62/886286862.db2.gz VWFZZOULVKMYCR-HNNXBMFYSA-N 0 0 395.488 3.511 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@@H](c2ncccc2C)C(C)C)c2ccccc2)[nH]1 ZINC000115840888 886350832 /nfs/dbraw/zinc/35/08/32/886350832.db2.gz HPKOYKIYAAHUKT-MJGOQNOKSA-N 0 0 378.480 3.602 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCC(Oc4ccccc4)CC3)CC2)n1 ZINC000116969999 886374326 /nfs/dbraw/zinc/37/43/26/886374326.db2.gz OAJNTUKQWJHMGW-UHFFFAOYSA-N 0 0 394.519 3.612 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cn1ccnc1)c1ccccc1 ZINC000119019519 886422385 /nfs/dbraw/zinc/42/23/85/886422385.db2.gz XVNSJRHBZHIUNR-MOPGFXCFSA-N 0 0 398.507 3.530 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000119664421 886471732 /nfs/dbraw/zinc/47/17/32/886471732.db2.gz ZARHFJVNLSFGRG-DZGCQCFKSA-N 0 0 392.425 3.637 10 0 GHAERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000332715113 886540085 /nfs/dbraw/zinc/54/00/85/886540085.db2.gz FONHAIXHMNEUHX-NYGOIYDISA-N 0 0 384.446 3.961 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)C[C@@H](C)O1 ZINC000332743387 886541087 /nfs/dbraw/zinc/54/10/87/886541087.db2.gz OKOFNZULKPJTGF-IIAWOOMASA-N 0 0 395.569 3.727 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000123544516 886648082 /nfs/dbraw/zinc/64/80/82/886648082.db2.gz IVJZYXMEESHNPT-NRFANRHFSA-N 0 0 392.499 3.665 10 0 GHAERN Cc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(N(C)C)cc3)CC2)c1 ZINC000123586923 886651199 /nfs/dbraw/zinc/65/11/99/886651199.db2.gz NJGFPFJUUBPVDZ-UHFFFAOYSA-N 0 0 380.492 3.944 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC(C)(C)c2cccc(F)c2)c2ccccc2F)no1 ZINC000124650817 886778308 /nfs/dbraw/zinc/77/83/08/886778308.db2.gz WVRKXZOWIKEMSQ-KRWDZBQOSA-N 0 0 386.402 3.980 10 0 GHAERN CCCOc1ccccc1NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000043452515 886862496 /nfs/dbraw/zinc/86/24/96/886862496.db2.gz SLFSYFTVGZYKTL-MRXNPFEDSA-N 0 0 379.464 3.930 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)s1 ZINC000043698021 886880212 /nfs/dbraw/zinc/88/02/12/886880212.db2.gz BMSOZEFCBOGHTD-CQSZACIVSA-N 0 0 399.524 3.896 10 0 GHAERN O=C(Nc1ccccc1CCC(F)(F)F)NC1CCN(c2ncccn2)CC1 ZINC000126308582 886956792 /nfs/dbraw/zinc/95/67/92/886956792.db2.gz TXUQHNAMLROZIS-UHFFFAOYSA-N 0 0 393.413 3.762 10 0 GHAERN O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(c2ccnn2CCO)CC1 ZINC000126308390 886956968 /nfs/dbraw/zinc/95/69/68/886956968.db2.gz KAGYHVWOKKPVKQ-UHFFFAOYSA-N 0 0 399.491 3.763 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000126637268 886990089 /nfs/dbraw/zinc/99/00/89/886990089.db2.gz GBXROXPRULHBRU-LJQANCHMSA-N 0 0 377.469 3.556 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cc(F)c(F)cc3F)C2)c1 ZINC000105044754 887330031 /nfs/dbraw/zinc/33/00/31/887330031.db2.gz SITDRJIPKNLMPV-GFCCVEGCSA-N 0 0 379.382 3.761 10 0 GHAERN NC(=O)c1ccc(F)c(NC(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000047875513 887379311 /nfs/dbraw/zinc/37/93/11/887379311.db2.gz WQARQEJIZUUHDY-UHFFFAOYSA-N 0 0 396.397 3.866 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(c3nncn3C(C)C)CC2)n1 ZINC000130492748 887439884 /nfs/dbraw/zinc/43/98/84/887439884.db2.gz MSBUJERLCQFMGV-UHFFFAOYSA-N 0 0 394.470 3.669 10 0 GHAERN COCCCOc1cccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000131961527 887595303 /nfs/dbraw/zinc/59/53/03/887595303.db2.gz DWGSOUGNBHHMGJ-QGZVFWFLSA-N 0 0 389.521 3.648 10 0 GHAERN COCCOc1ccc(F)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000133124057 887732538 /nfs/dbraw/zinc/73/25/38/887732538.db2.gz JDUQEORFTJCISB-UHFFFAOYSA-N 0 0 393.484 3.703 10 0 GHAERN CCCCOc1ccc(NC(=O)C2CCN(C(=O)c3cnoc3C)CC2)c(C)c1 ZINC000133246634 887743494 /nfs/dbraw/zinc/74/34/94/887743494.db2.gz MUDCWCHRAPIMBM-UHFFFAOYSA-N 0 0 399.491 3.961 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000134290618 887848639 /nfs/dbraw/zinc/84/86/39/887848639.db2.gz BFJNDESMKOJZBJ-FUHWJXTLSA-N 0 0 381.501 3.734 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000134374107 887865815 /nfs/dbraw/zinc/86/58/15/887865815.db2.gz UFTOANJWMHZORO-DYESRHJHSA-N 0 0 390.487 3.750 10 0 GHAERN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137088935 888331122 /nfs/dbraw/zinc/33/11/22/888331122.db2.gz YQCUAPRZMJGWMT-GOSISDBHSA-N 0 0 382.464 3.670 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000056440138 888360483 /nfs/dbraw/zinc/36/04/83/888360483.db2.gz VQCXOMQDBMDPSU-UHFFFAOYSA-N 0 0 382.407 3.802 10 0 GHAERN COc1ccccc1N1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000138613076 888413730 /nfs/dbraw/zinc/41/37/30/888413730.db2.gz AAXJWKLDDODXDI-OFNKIYASSA-N 0 0 394.515 3.948 10 0 GHAERN Cn1c2cc(NC(=O)[C@H](c3ccccc3)N3CCc4ccccc43)ccc2oc1=O ZINC000105371817 888421040 /nfs/dbraw/zinc/42/10/40/888421040.db2.gz JSWDYJSRCFCFPE-QFIPXVFZSA-N 0 0 399.450 3.874 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCCN(C2CC2)CC1 ZINC000061604574 888492074 /nfs/dbraw/zinc/49/20/74/888492074.db2.gz UVVNLXGKWYMQNX-UHFFFAOYSA-N 0 0 383.439 3.934 10 0 GHAERN Cc1cc(C)n(CC2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000062130862 888500433 /nfs/dbraw/zinc/50/04/33/888500433.db2.gz VZMBZILNCXOTFQ-UHFFFAOYSA-N 0 0 376.298 3.815 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)CCc2ncc(C(C)(C)C)o2)C1 ZINC000193797739 888525834 /nfs/dbraw/zinc/52/58/34/888525834.db2.gz CHJPCZXOJXEYAK-QZTJIDSGSA-N 0 0 398.503 3.710 10 0 GHAERN CN1C(=O)Cc2cc(NC(=O)N3CC[C@@H](Oc4cccc(Cl)c4)C3)ccc21 ZINC000194108082 888558528 /nfs/dbraw/zinc/55/85/28/888558528.db2.gz QQHMUMWOTZJPMJ-QGZVFWFLSA-N 0 0 385.851 3.544 10 0 GHAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000194868955 888627007 /nfs/dbraw/zinc/62/70/07/888627007.db2.gz PMYSYUGYVUJTCO-PMACEKPBSA-N 0 0 398.528 3.591 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000194934355 888632537 /nfs/dbraw/zinc/63/25/37/888632537.db2.gz YYFUHCIWVDARQD-CTNGQTDRSA-N 0 0 383.467 3.549 10 0 GHAERN O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000195175574 888651533 /nfs/dbraw/zinc/65/15/33/888651533.db2.gz HJIAOIMBJMMZDX-UHFFFAOYSA-N 0 0 380.473 3.629 10 0 GHAERN FC(F)(F)c1ccc(-n2nnnc2CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195359054 888656316 /nfs/dbraw/zinc/65/63/16/888656316.db2.gz CUJWPNZFMGVVQC-GFCCVEGCSA-N 0 0 394.426 3.517 10 0 GHAERN CN1CC[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663951 889186872 /nfs/dbraw/zinc/18/68/72/889186872.db2.gz AOFKUSRYBITJGP-SIKLNZKXSA-N 0 0 398.457 3.725 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C(C)(C)C ZINC000245710844 889389769 /nfs/dbraw/zinc/38/97/69/889389769.db2.gz ZNLWENVOEWHDTD-SXLOBPIMSA-N 0 0 398.551 3.971 10 0 GHAERN COc1cc(-c2noc(CN3CCC[C@@H]3C[C@@H](O)c3ccco3)n2)ccc1C ZINC000245947434 890058093 /nfs/dbraw/zinc/05/80/93/890058093.db2.gz OJQVTANZVDHBDG-IAGOWNOFSA-N 0 0 383.448 3.735 10 0 GHAERN C[C@@H]1Oc2c(cccc2C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)NC1=O ZINC000245946715 890058408 /nfs/dbraw/zinc/05/84/08/890058408.db2.gz AEVVJPOAQMITTO-RLFYNMQTSA-N 0 0 398.459 3.508 10 0 GHAERN C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H](C)O1 ZINC000246017296 890188528 /nfs/dbraw/zinc/18/85/28/890188528.db2.gz JGXQDJNDTKTBMQ-YRGRVCCFSA-N 0 0 387.858 3.724 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(C(F)(F)F)c1 ZINC000246236294 890795579 /nfs/dbraw/zinc/79/55/79/890795579.db2.gz WZTUTWXHHMDQMF-APHBMKBZSA-N 0 0 397.397 3.743 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c1 ZINC000066606963 891124383 /nfs/dbraw/zinc/12/43/83/891124383.db2.gz BGYXVKZMFQKNSX-VYENPZKTSA-N 0 0 385.485 3.522 10 0 GHAERN CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccnc1-n1cncn1 ZINC000069723350 891205279 /nfs/dbraw/zinc/20/52/79/891205279.db2.gz OJJWLQIEXFZOQV-VQTJNVASSA-N 0 0 390.491 3.530 10 0 GHAERN COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246491920 891282083 /nfs/dbraw/zinc/28/20/83/891282083.db2.gz MFTACRBTRCXESX-SZVBFZGTSA-N 0 0 389.517 3.777 10 0 GHAERN CC(=O)c1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246557773 891285414 /nfs/dbraw/zinc/28/54/14/891285414.db2.gz RLCFBGXQTVPQEQ-SZVBFZGTSA-N 0 0 387.501 3.833 10 0 GHAERN O=C(CN1CCS[C@@H]2COCC[C@H]21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000247330123 891368638 /nfs/dbraw/zinc/36/86/38/891368638.db2.gz WVTSNZAMJSDJNI-ZIAGYGMSSA-N 0 0 394.846 3.504 10 0 GHAERN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247348331 891369296 /nfs/dbraw/zinc/36/92/96/891369296.db2.gz JTGYIMMUMLGOTC-BBWFWOEESA-N 0 0 391.874 3.720 10 0 GHAERN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000247438509 891377629 /nfs/dbraw/zinc/37/76/29/891377629.db2.gz XMROGMNKVXJLQD-DSNGTPCMSA-N 0 0 386.517 3.514 10 0 GHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000248430375 891436136 /nfs/dbraw/zinc/43/61/36/891436136.db2.gz RTGCORZYVIRVJQ-HTQZYQBOSA-N 0 0 396.378 3.622 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)c2ccc(F)cc2C1 ZINC000248772282 891468351 /nfs/dbraw/zinc/46/83/51/891468351.db2.gz YIDSVQOVIXZLMO-FCEUTRGCSA-N 0 0 387.499 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c2ccc(F)cc2C1 ZINC000248777357 891468375 /nfs/dbraw/zinc/46/83/75/891468375.db2.gz ZFUCYUMXVTUSAY-CLUDHOEWSA-N 0 0 387.499 3.982 10 0 GHAERN CN1CC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210603 891501327 /nfs/dbraw/zinc/50/13/27/891501327.db2.gz AJDKFLWWWGECLE-JXFKEZNVSA-N 0 0 391.462 3.745 10 0 GHAERN Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)cc2)cs1 ZINC000251899758 891660901 /nfs/dbraw/zinc/66/09/01/891660901.db2.gz QXMBGPPJGRTMRU-SDRBTEHTSA-N 0 0 384.501 3.727 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000332961846 893351247 /nfs/dbraw/zinc/35/12/47/893351247.db2.gz GEDIYJCAMZLXNJ-HLLBOEOZSA-N 0 0 398.425 3.920 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(F)c(F)c(F)c3F)C2)c1 ZINC000102382700 898007746 /nfs/dbraw/zinc/00/77/46/898007746.db2.gz WJYVRYWYEJSMAQ-NSHDSACASA-N 0 0 382.357 3.508 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000102898150 898045577 /nfs/dbraw/zinc/04/55/77/898045577.db2.gz FACSHCKPFFJCMZ-CQSZACIVSA-N 0 0 383.473 3.766 10 0 GHAERN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N(C)C[C@H]1CCCO1 ZINC000102897892 898045902 /nfs/dbraw/zinc/04/59/02/898045902.db2.gz IDCRRVJBEBWGOI-OAHLLOKOSA-N 0 0 376.453 3.699 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCC(=O)N3CCc4sccc4C3)c21 ZINC000103127763 898067549 /nfs/dbraw/zinc/06/75/49/898067549.db2.gz HVZLJQNNQUTNKL-UHFFFAOYSA-N 0 0 395.528 3.562 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000104993000 898175577 /nfs/dbraw/zinc/17/55/77/898175577.db2.gz IVVKUASEIUNTNM-FQEVSTJZSA-N 0 0 396.491 3.686 10 0 GHAERN Cn1nccc1CNC(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000105142032 898196744 /nfs/dbraw/zinc/19/67/44/898196744.db2.gz JWCKUAPYVDIJES-INIZCTEOSA-N 0 0 385.468 3.560 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 ZINC000105190181 898200084 /nfs/dbraw/zinc/20/00/84/898200084.db2.gz BBPZNHKQXSNSOC-UHFFFAOYSA-N 0 0 395.482 3.879 10 0 GHAERN O=C(N[C@@H]1CCSc2c(F)cccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000111823617 898834841 /nfs/dbraw/zinc/83/48/41/898834841.db2.gz DTPCQFJNCZFEMV-ZIAGYGMSSA-N 0 0 379.482 3.602 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121089746 899949814 /nfs/dbraw/zinc/94/98/14/899949814.db2.gz AFTMOIVZWWVYHT-PZPVNDQUSA-N 0 0 392.368 3.903 10 0 GHAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)cn1 ZINC000333317982 902002747 /nfs/dbraw/zinc/00/27/47/902002747.db2.gz WKVGFJZRFOYJQP-LKUPVBHCSA-N 0 0 381.520 3.952 10 0 GHAERN CC1(C)CCc2nc(NC(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)sc2C1 ZINC000333609913 902221599 /nfs/dbraw/zinc/22/15/99/902221599.db2.gz QKYVUDBFXHPKPK-KBPBESRZSA-N 0 0 391.562 3.959 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc([C@]4(C)CC[C@H](C)C4(C)C)n3)ccn2)CC1 ZINC000333739028 902301921 /nfs/dbraw/zinc/30/19/21/902301921.db2.gz XGZIVAHMPLIFKG-NYHFZMIOSA-N 0 0 397.523 3.514 10 0 GHAERN Cc1nn(-c2ccccc2)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)cc12 ZINC000334006203 902496309 /nfs/dbraw/zinc/49/63/09/902496309.db2.gz UFJJRXFVQQCAPT-ZMSDIMECSA-N 0 0 381.501 3.628 10 0 GHAERN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1nc(Cc2ccccc2)no1 ZINC000177349669 906114049 /nfs/dbraw/zinc/11/40/49/906114049.db2.gz OJLGSRRSRAQCMR-PBHICJAKSA-N 0 0 378.432 3.544 10 0 GHAERN O=C(c1csc(-c2ccc(F)c(F)c2)n1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000180176402 906706694 /nfs/dbraw/zinc/70/66/94/906706694.db2.gz RKSLAECKUYPMBY-CQSZACIVSA-N 0 0 375.404 3.574 10 0 GHAERN Cc1nc2ccc(NC(=O)N3CCCC[C@@H]3c3nnc4n3CCCC4)cc2o1 ZINC000181546168 907024228 /nfs/dbraw/zinc/02/42/28/907024228.db2.gz QVHWXPAMMSYMSU-MRXNPFEDSA-N 0 0 380.452 3.823 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182181603 907152680 /nfs/dbraw/zinc/15/26/80/907152680.db2.gz RFFRWILZSCBLGQ-MOPGFXCFSA-N 0 0 379.508 3.929 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](C)N2CCc3sccc3C2)cs1 ZINC000186162676 907885609 /nfs/dbraw/zinc/88/56/09/907885609.db2.gz XYAPJNFXVVTUCY-GUYCJALGSA-N 0 0 390.578 3.806 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cs1 ZINC000187032037 908023416 /nfs/dbraw/zinc/02/34/16/908023416.db2.gz CHZJRIBFCCMAES-SFHVURJKSA-N 0 0 392.546 3.540 10 0 GHAERN COc1ccc(CCC(=O)N2CCC[C@H]2c2csc(C)n2)c(OC)c1OC ZINC000187068487 908031491 /nfs/dbraw/zinc/03/14/91/908031491.db2.gz VBAZKHPIPZLXGM-INIZCTEOSA-N 0 0 390.505 3.774 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cn(C)nc2-c2ccccc2)cs1 ZINC000187432650 908089825 /nfs/dbraw/zinc/08/98/25/908089825.db2.gz KABNMZMPRRWGOD-SFHVURJKSA-N 0 0 381.505 3.899 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cs1 ZINC000188106479 908178382 /nfs/dbraw/zinc/17/83/82/908178382.db2.gz SUGFFSMXJMHLPS-INIZCTEOSA-N 0 0 379.526 3.762 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2CCC(F)(F)F)C1 ZINC000189446565 908324862 /nfs/dbraw/zinc/32/48/62/908324862.db2.gz KWMCBSMYBCZYCY-DZGCQCFKSA-N 0 0 398.385 3.867 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccccc2COc2ccccc2)C1 ZINC000190009928 908402487 /nfs/dbraw/zinc/40/24/87/908402487.db2.gz LNNNNINVLUBQES-UYAOXDASSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000190126681 908432507 /nfs/dbraw/zinc/43/25/07/908432507.db2.gz GKRCFMQBGGDQIQ-HIFRSBDPSA-N 0 0 399.476 3.859 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000190126028 908432604 /nfs/dbraw/zinc/43/26/04/908432604.db2.gz VANKDOABNDDQFU-YPMHNXCESA-N 0 0 382.873 3.747 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N(C)C2CCCC2)C1 ZINC000190134520 908435701 /nfs/dbraw/zinc/43/57/01/908435701.db2.gz GSPQWAVYRAFWLF-APWZRJJASA-N 0 0 399.495 3.751 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(C(F)(F)F)c2C)C1 ZINC000190134190 908435762 /nfs/dbraw/zinc/43/57/62/908435762.db2.gz OCXNEMDVKXSLGH-BXUZGUMPSA-N 0 0 384.358 3.699 10 0 GHAERN CCc1c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cnn1-c1ccccc1C ZINC000191627209 908653099 /nfs/dbraw/zinc/65/30/99/908653099.db2.gz KLRMNRLSJNTBDR-GOSISDBHSA-N 0 0 379.468 3.620 10 0 GHAERN Cc1c(Br)ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1F ZINC000194192606 908925118 /nfs/dbraw/zinc/92/51/18/908925118.db2.gz YWNKOKQIMLWDMS-LBPRGKRZSA-N 0 0 382.237 3.774 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)CCO2)n1 ZINC000194245177 908928243 /nfs/dbraw/zinc/92/82/43/908928243.db2.gz ZVTAFEFUSGBEMO-GJZGRUSLSA-N 0 0 393.896 3.712 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc(=O)[nH]c3ccc(F)cc31)CCCC2 ZINC000284704218 911995015 /nfs/dbraw/zinc/99/50/15/911995015.db2.gz UKBQXTFTUMIXHF-LJQANCHMSA-N 0 0 394.450 3.669 10 0 GHAERN Cc1cc(N2CCC(N(C)C(=O)C[C@@H]3C[C@H]3c3ccccc3)CC2)nc(C)n1 ZINC000375187073 928019466 /nfs/dbraw/zinc/01/94/66/928019466.db2.gz GVDHFEOCNJCDFP-FPOVZHCZSA-N 0 0 378.520 3.714 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(Cl)c(Cl)n2C)c2ccc(F)cc2C1 ZINC000185527110 1014585310 /nfs/dbraw/zinc/58/53/10/1014585310.db2.gz VFOVOQKQOFXCMH-OAHLLOKOSA-N 0 0 398.265 3.694 10 0 GHAERN CCOC(=O)c1nn(CC(C)C)c2c1CN(C(=O)[C@@H]1CC13CCCCC3)CC2 ZINC000014741000 210124843 /nfs/dbraw/zinc/12/48/43/210124843.db2.gz YPWBRSZGBUNZAN-KRWDZBQOSA-N 0 0 387.524 3.571 10 0 GHAERN CC(C)(C)NC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008599798 209787350 /nfs/dbraw/zinc/78/73/50/209787350.db2.gz JIHDBOQUAGFAKH-UHFFFAOYSA-N 0 0 380.414 3.780 10 0 GHAERN O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)c1ccc2c(c1)OCCO2 ZINC000006829244 209694189 /nfs/dbraw/zinc/69/41/89/209694189.db2.gz GTSFBYRMOPZJOT-UHFFFAOYSA-N 0 0 379.460 3.832 10 0 GHAERN Cc1ccsc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCc1ccncc1 ZINC000006266858 209640412 /nfs/dbraw/zinc/64/04/12/209640412.db2.gz BEWTVFPSCKFNFU-CPNJWEJPSA-N 0 0 391.496 3.847 10 0 GHAERN O=C(c1cccc2c1NCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000836977 209270774 /nfs/dbraw/zinc/27/07/74/209270774.db2.gz VFIKYOPBVRXPKO-UHFFFAOYSA-N 0 0 375.394 3.636 10 0 GHAERN CCO[C@@H](Cc1ccccc1)N1CCN(C[C@@H](C)C(=O)c2ccc(F)cc2)CC1 ZINC000022859883 209237787 /nfs/dbraw/zinc/23/77/87/209237787.db2.gz BAAVGUJEGRPVRG-XXBNENTESA-N 0 0 398.522 3.867 10 0 GHAERN Cc1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)c2noc4c2CCCC4)O3)nc1 ZINC000299756745 212031503 /nfs/dbraw/zinc/03/15/03/212031503.db2.gz FFBWNORFMKMCJA-QGZVFWFLSA-N 0 0 389.455 3.657 10 0 GHAERN CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000095845468 211281954 /nfs/dbraw/zinc/28/19/54/211281954.db2.gz DIUHLSNBUJPEQZ-CXAGYDPISA-N 0 0 384.270 3.763 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](COCc2cnc(Cl)nc2Cl)C1 ZINC000095085464 211219107 /nfs/dbraw/zinc/21/91/07/211219107.db2.gz CLEIUCUAMWGAFW-NSHDSACASA-N 0 0 376.284 3.947 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 ZINC000095084695 211218894 /nfs/dbraw/zinc/21/88/94/211218894.db2.gz FNIWWMYRQDMYCW-INIZCTEOSA-N 0 0 376.472 3.964 10 0 GHAERN CN(c1nc2ccccc2nc1NC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074214 211216948 /nfs/dbraw/zinc/21/69/48/211216948.db2.gz OZZMTPKYHHJRJJ-HNNXBMFYSA-N 0 0 383.496 3.650 10 0 GHAERN CCC(CC)C(=O)N1C[C@H](c2nc(-c3ccccc3)no2)C2(C1)CCOCC2 ZINC000085824350 211177875 /nfs/dbraw/zinc/17/78/75/211177875.db2.gz WLYVEIFVQSQAPH-GOSISDBHSA-N 0 0 383.492 3.895 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1)c1cccs1 ZINC000065203121 210975864 /nfs/dbraw/zinc/97/58/64/210975864.db2.gz NRLTZWXVUOUHKH-MRXNPFEDSA-N 0 0 382.489 3.835 10 0 GHAERN O=C(c1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2coc3ccccc3c2=O)C1 ZINC000020918171 210368816 /nfs/dbraw/zinc/36/88/16/210368816.db2.gz UFETVPWSFOYDJN-MRXNPFEDSA-N 0 0 391.423 3.617 10 0 GHAERN Cc1ccc(Nc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c2N)cc1 ZINC000040782089 132406741 /nfs/dbraw/zinc/40/67/41/132406741.db2.gz SPNDYQXJSAQRJH-UHFFFAOYSA-N 0 0 378.455 3.577 10 0 GHAERN Nc1c(Sc2ccccc2)ncnc1N1CCN(c2ccccc2F)CC1 ZINC000040783225 132406889 /nfs/dbraw/zinc/40/68/89/132406889.db2.gz RNKODCNLJLMZPF-UHFFFAOYSA-N 0 0 381.480 3.676 10 0 GHAERN CCOC(=O)c1cnc2ccc(OC)cc2c1S(=O)(=O)c1ccc(C)cc1 ZINC000085346464 521576642 /nfs/dbraw/zinc/57/66/42/521576642.db2.gz WOSVRMKAFGMHCF-UHFFFAOYSA-N 0 0 385.441 3.561 10 0 GHAERN CCN1CC2(CCN(c3ncnc4[nH]ccc43)CC2)C[C@@H](c2ccccc2)C1=O ZINC000096165198 535443880 /nfs/dbraw/zinc/44/38/80/535443880.db2.gz GXHZVDSCJLYRJY-IBGZPJMESA-N 0 0 389.503 3.581 10 0 GHAERN CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227880 536161295 /nfs/dbraw/zinc/16/12/95/536161295.db2.gz XNUCWVACGYIADM-GOEBONIOSA-N 0 0 383.496 3.530 10 0 GHAERN Clc1cccc(Cl)c1[C@H](c1nnnn1C1CCCCC1)N1CCOCC1 ZINC000020157522 570245101 /nfs/dbraw/zinc/24/51/01/570245101.db2.gz AWJWZAVXGWGVQT-QGZVFWFLSA-N 0 0 396.322 3.907 10 0 GHAERN CC(C)NC(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012245035 570277322 /nfs/dbraw/zinc/27/73/22/570277322.db2.gz PRCILVNPQSCRHG-UHFFFAOYSA-N 0 0 387.487 3.834 10 0 GHAERN COc1ccc(-c2cn(-c3ccc(Br)cc3F)nn2)cc1OC ZINC000725263612 570321419 /nfs/dbraw/zinc/32/14/19/570321419.db2.gz VPHBBVLMZSJIAN-UHFFFAOYSA-N 0 0 378.201 3.853 10 0 GHAERN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C(=O)C1CC1)C1CC1 ZINC000035774577 570446458 /nfs/dbraw/zinc/44/64/58/570446458.db2.gz MUHYJHJGCHGYEO-UHFFFAOYSA-N 0 0 382.529 3.986 10 0 GHAERN CCN1SC(=S)/C(=C/c2ccc(N3C(=O)c4ccccc4C3=O)cc2)C1=O ZINC000005952464 570462907 /nfs/dbraw/zinc/46/29/07/570462907.db2.gz LNFFAQJETMLMGR-LFIBNONCSA-N 0 0 394.477 3.708 10 0 GHAERN CC(C)NC(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N(C)C(C)C)C1 ZINC000036042420 570520316 /nfs/dbraw/zinc/52/03/16/570520316.db2.gz GPVNQMBFRNUZNN-DLBZAZTESA-N 0 0 399.457 3.706 10 0 GHAERN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3F)C(=O)NC(C)C)C2)cc1 ZINC000006873135 570664782 /nfs/dbraw/zinc/66/47/82/570664782.db2.gz DZUOZSXIYUWERQ-LJQANCHMSA-N 0 0 399.466 3.948 10 0 GHAERN Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCC2)o1 ZINC000065203014 570729199 /nfs/dbraw/zinc/72/91/99/570729199.db2.gz ZRPSUEVORCJHLT-IBGZPJMESA-N 0 0 376.460 3.692 10 0 GHAERN Cc1oc2c(c1C(=O)NCc1ccccn1)CN(Cc1cccc(F)c1)CC2 ZINC000065291995 570784408 /nfs/dbraw/zinc/78/44/08/570784408.db2.gz ARZVYHRYVKIGHH-UHFFFAOYSA-N 0 0 379.435 3.610 10 0 GHAERN Cc1ccn(CC(=O)NC[C@@H]2Cc3cc(-c4ccc(C)c(F)c4)cc(F)c3O2)n1 ZINC000012133227 570960185 /nfs/dbraw/zinc/96/01/85/570960185.db2.gz INERUSSBRPEUDL-SFHVURJKSA-N 0 0 397.425 3.565 10 0 GHAERN CCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000045967126 571008171 /nfs/dbraw/zinc/00/81/71/571008171.db2.gz WRUQOVAXBNWGHM-UHFFFAOYSA-N 0 0 390.487 3.608 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c2ccccc2O1 ZINC000152729674 834529245 /nfs/dbraw/zinc/52/92/45/834529245.db2.gz RFODDQWXIUXYBR-ICSRJNTNSA-N 0 0 382.460 3.778 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000329243271 834607204 /nfs/dbraw/zinc/60/72/04/834607204.db2.gz STWLTODDCCLKES-HOTGVXAUSA-N 0 0 393.512 3.779 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccnc2-c2ccccc2)CC1 ZINC000157119722 834762824 /nfs/dbraw/zinc/76/28/24/834762824.db2.gz JVSLKAKKTKGVOP-UHFFFAOYSA-N 0 0 375.476 3.969 10 0 GHAERN O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCO[C@H](c2nccs2)C1 ZINC000110874183 834764239 /nfs/dbraw/zinc/76/42/39/834764239.db2.gz ITDKSTZSEKGTHQ-IBGZPJMESA-N 0 0 398.484 3.747 10 0 GHAERN COc1cc(C2(C(=O)N3CCO[C@H](c4nccs4)C3)CCCC2)ccc1C ZINC000110878329 834764798 /nfs/dbraw/zinc/76/47/98/834764798.db2.gz RGMJQQFKXKSIKX-SFHVURJKSA-N 0 0 386.517 3.872 10 0 GHAERN O=C(c1n[nH]c2ccc(Cl)cc21)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329295573 834785081 /nfs/dbraw/zinc/78/50/81/834785081.db2.gz SMFIHBKVJZLPNV-VIFPVBQESA-N 0 0 397.788 3.978 10 0 GHAERN Cc1nc(C)c(CCC(=O)N=c2cc(C3CCC(C(C)(C)C)CC3)[nH][nH]2)c(=O)[nH]1 ZINC000329304724 834801529 /nfs/dbraw/zinc/80/15/29/834801529.db2.gz AJPQUOALHRECDW-UHFFFAOYSA-N 0 0 399.539 3.835 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)no1 ZINC000329355523 834902802 /nfs/dbraw/zinc/90/28/02/834902802.db2.gz FOKTWCPMJZZULO-QGZVFWFLSA-N 0 0 380.452 3.558 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)C2)n1 ZINC000117027096 834926833 /nfs/dbraw/zinc/92/68/33/834926833.db2.gz GHONURGYZIHDTR-QFBILLFUSA-N 0 0 395.551 3.957 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)COc2ccc3oc4c(c3c2)CCCC4)no1 ZINC000329376682 834937580 /nfs/dbraw/zinc/93/75/80/834937580.db2.gz LXJOSZSDLQBLKU-KRWDZBQOSA-N 0 0 381.432 3.746 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000588581867 834985139 /nfs/dbraw/zinc/98/51/39/834985139.db2.gz KMRGIQBNZBIWEW-ZMGAVLDPSA-N 0 0 377.271 3.827 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)C2)c1 ZINC000111766165 834991142 /nfs/dbraw/zinc/99/11/42/834991142.db2.gz WEHPXYMQQWMLSH-KRWDZBQOSA-N 0 0 396.520 3.811 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H]3CCC(C)(C)C[C@@H]3C)CC2)no1 ZINC000175849931 835065621 /nfs/dbraw/zinc/06/56/21/835065621.db2.gz NUTSZJWFPSAHOV-XJKSGUPXSA-N 0 0 376.501 3.558 10 0 GHAERN COc1cc(C2(C(=O)NC3CCN(c4ccc(C)cn4)CC3)CC2)ccc1C ZINC000157720943 835070625 /nfs/dbraw/zinc/07/06/25/835070625.db2.gz ZHWYHEKQNCVELN-UHFFFAOYSA-N 0 0 379.504 3.524 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 ZINC000157781648 835089244 /nfs/dbraw/zinc/08/92/44/835089244.db2.gz KBVQTZGIJKAERB-UHFFFAOYSA-N 0 0 398.898 3.746 10 0 GHAERN CCc1nnc(C2CCN(C(=O)C=Cc3ccccc3O[C@@H](C)CC)CC2)[nH]1 ZINC000588583885 835106020 /nfs/dbraw/zinc/10/60/20/835106020.db2.gz JXNNBAJCHIVRJP-SNGWPZLWSA-N 0 0 382.508 3.964 10 0 GHAERN O=C(NCC1(CO)CCOCC1)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000157844312 835117824 /nfs/dbraw/zinc/11/78/24/835117824.db2.gz NECVAUXBZDYKGE-KRWDZBQOSA-N 0 0 394.924 3.579 10 0 GHAERN Cc1oc(-c2ccccc2)nc1Cc1nc([C@@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329501244 835149221 /nfs/dbraw/zinc/14/92/21/835149221.db2.gz AFTQLFJKCHKQTJ-WMZOPIPTSA-N 0 0 380.448 3.550 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)N1CC[C@@]2(CCOC2)C1 ZINC000158612652 835472813 /nfs/dbraw/zinc/47/28/13/835472813.db2.gz KFPKXSYXVRTLRW-GOSISDBHSA-N 0 0 395.290 3.883 10 0 GHAERN O=C(c1cnc(-c2ccsc2)s1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000112296050 835533233 /nfs/dbraw/zinc/53/32/33/835533233.db2.gz RRHYBYJBZFPDHU-GFCCVEGCSA-N 0 0 385.518 3.818 10 0 GHAERN CCOC(=O)c1csc(C2CCN(C(=O)/C=C\c3cccc(F)c3)CC2)n1 ZINC000588590812 835821189 /nfs/dbraw/zinc/82/11/89/835821189.db2.gz VISLYWSTKXYKQU-SREVYHEPSA-N 0 0 388.464 3.878 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)c2ccccc2)CCO1 ZINC000246107884 835967985 /nfs/dbraw/zinc/96/79/85/835967985.db2.gz NELBBRWDIOVAPE-WTGUMLROSA-N 0 0 384.520 3.534 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000332715654 836478257 /nfs/dbraw/zinc/47/82/57/836478257.db2.gz HCPUUDRIJASKOE-SFTDATJTSA-N 0 0 389.499 3.697 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000248868244 836664553 /nfs/dbraw/zinc/66/45/53/836664553.db2.gz CJVNPIKTJOQPIX-LALPHHSUSA-N 0 0 387.307 3.765 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[C@H](c3cccc(F)c3)C1)C2 ZINC000332814658 836678990 /nfs/dbraw/zinc/67/89/90/836678990.db2.gz UPDGTENDDNRADN-FUHWJXTLSA-N 0 0 384.499 3.834 10 0 GHAERN Cc1ccc([C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C2CC2)cc1 ZINC000332904282 836965387 /nfs/dbraw/zinc/96/53/87/836965387.db2.gz ULZYSLURSOBIMV-TZIWHRDSSA-N 0 0 379.508 3.513 10 0 GHAERN O=C(NCCc1cnn(-c2ccccc2)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103177962 837273280 /nfs/dbraw/zinc/27/32/80/837273280.db2.gz NOUMUCCUSDPPGO-HSZRJFAPSA-N 0 0 397.482 3.899 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181736764 838626515 /nfs/dbraw/zinc/62/65/15/838626515.db2.gz DJGPFDCGKDOBBJ-DLBZAZTESA-N 0 0 385.512 3.945 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)Cc3ccc(C)cc3C)C2)n1 ZINC000117048117 839538592 /nfs/dbraw/zinc/53/85/92/839538592.db2.gz FSNSMUNBUFXTEG-YLJYHZDGSA-N 0 0 383.540 3.565 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)C2)n1 ZINC000117044969 839539112 /nfs/dbraw/zinc/53/91/12/839539112.db2.gz DADDZUFCBUDWGH-QFBILLFUSA-N 0 0 383.540 3.683 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000588393774 840436668 /nfs/dbraw/zinc/43/66/68/840436668.db2.gz DLHZTABBNZOOOR-RKVKURJASA-N 0 0 377.469 3.577 10 0 GHAERN CCc1noc([C@H](C)N2CCN(Cc3csc(C4CCCC4)n3)CC2)n1 ZINC000106136933 840658507 /nfs/dbraw/zinc/65/85/07/840658507.db2.gz LNOCFFJELFPAKL-AWEZNQCLSA-N 0 0 375.542 3.625 10 0 GHAERN C[C@H](NC(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)c1ccc2ccccc2c1 ZINC000332779226 844565963 /nfs/dbraw/zinc/56/59/63/844565963.db2.gz DDZSJYIDCKBISL-BEVDRBHNSA-N 0 0 386.517 3.652 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208593 840761581 /nfs/dbraw/zinc/76/15/81/840761581.db2.gz XMWFPMXLDSFTSX-OAHLLOKOSA-N 0 0 396.564 3.840 10 0 GHAERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000332817722 844576680 /nfs/dbraw/zinc/57/66/80/844576680.db2.gz PBENOGOHPOCTNJ-RDBSUJKOSA-N 0 0 386.462 3.916 10 0 GHAERN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000332891951 844612519 /nfs/dbraw/zinc/61/25/19/844612519.db2.gz OCJBZRFHKSDDSH-OPAMFIHVSA-N 0 0 399.874 3.858 10 0 GHAERN O=C(NCc1ccccc1Br)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408147742 841155712 /nfs/dbraw/zinc/15/57/12/841155712.db2.gz IBTYUFOIBBCGML-UAGQMJEPSA-N 0 0 381.314 3.674 10 0 GHAERN CC(C)c1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c2cnn(C(C)C)c2n1 ZINC000105537933 841477537 /nfs/dbraw/zinc/47/75/37/841477537.db2.gz IFLLYFJYUSESHK-UHFFFAOYSA-N 0 0 394.479 3.556 10 0 GHAERN Cc1noc([C@H]2C[C@@H](O)CN2C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)n1 ZINC000408171094 841699908 /nfs/dbraw/zinc/69/99/08/841699908.db2.gz GWLKMEWNIOEJFU-RBSFLKMASA-N 0 0 389.521 3.539 10 0 GHAERN Cc1c2cccc(Br)c2oc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000408174916 841735404 /nfs/dbraw/zinc/73/54/04/841735404.db2.gz OIEUBHYDTGVGBY-CQSZACIVSA-N 0 0 392.171 3.643 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000408185122 842004279 /nfs/dbraw/zinc/00/42/79/842004279.db2.gz BJFQJVZPKXJNAW-PGUXBMHVSA-N 0 0 383.300 3.960 10 0 GHAERN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000408290558 842097544 /nfs/dbraw/zinc/09/75/44/842097544.db2.gz QDGLJBBIBWYEIF-GUYCJALGSA-N 0 0 394.928 3.596 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408193094 842286552 /nfs/dbraw/zinc/28/65/52/842286552.db2.gz QTGQUNALZLJWMA-OWYHZJEWSA-N 0 0 376.472 3.765 10 0 GHAERN C[C@H]1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@@H](c2ccco2)C1 ZINC000247458597 842327130 /nfs/dbraw/zinc/32/71/30/842327130.db2.gz QESMXSPWEXIVTF-MFCZKXCZSA-N 0 0 379.522 3.778 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)no1 ZINC000171244446 842379112 /nfs/dbraw/zinc/37/91/12/842379112.db2.gz ZDLFTESILPWPNG-AAEUAGOBSA-N 0 0 398.290 3.933 10 0 GHAERN CC(C)(C)Cc1nnc(N2CC[C@]3(O)CCCC[C@@H]3C2)n1C[C@@H]1CCCCO1 ZINC000328843815 842540481 /nfs/dbraw/zinc/54/04/81/842540481.db2.gz PRMFQPPZHUVJJI-KGVIQGDOSA-N 0 0 390.572 3.567 10 0 GHAERN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000328851243 842627987 /nfs/dbraw/zinc/62/79/87/842627987.db2.gz WQPYAKJUQQYJMK-CVEARBPZSA-N 0 0 380.496 3.523 10 0 GHAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408208861 842817810 /nfs/dbraw/zinc/81/78/10/842817810.db2.gz YAGORFRAEGDBIM-WLWJZTKJSA-N 0 0 376.545 3.733 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccccc1OCC(F)F ZINC000161610935 843109609 /nfs/dbraw/zinc/10/96/09/843109609.db2.gz DIVYORSSBYVYLF-OAHLLOKOSA-N 0 0 378.400 3.772 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1=O ZINC000328954812 843131842 /nfs/dbraw/zinc/13/18/42/843131842.db2.gz NAPSWPASRCFCIT-ABSDTBQOSA-N 0 0 394.519 3.650 10 0 GHAERN Cc1ccc2cc(C(=O)N3CCCN(C(=O)c4cccs4)CC3)ccc2n1 ZINC000162115988 843203429 /nfs/dbraw/zinc/20/34/29/843203429.db2.gz BLZJIZVIZOAFJD-UHFFFAOYSA-N 0 0 379.485 3.593 10 0 GHAERN Cc1nnc([C@@H](N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491083 843264794 /nfs/dbraw/zinc/26/47/94/843264794.db2.gz VYIUWAHYXGEYGM-XOBRGWDASA-N 0 0 390.491 3.837 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)CC1=O ZINC000328979668 843285608 /nfs/dbraw/zinc/28/56/08/843285608.db2.gz CXZCJMKYXQLJBG-MJALHYBGSA-N 0 0 398.547 3.528 10 0 GHAERN CCOc1ccc(C2(CNC(=O)/C=C\c3ncccc3C)CCOCC2)cc1 ZINC000588452428 843308663 /nfs/dbraw/zinc/30/86/63/843308663.db2.gz YGNBNTYHNSRWSK-KHPPLWFESA-N 0 0 380.488 3.667 10 0 GHAERN CSc1cccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112413446 843349931 /nfs/dbraw/zinc/34/99/31/843349931.db2.gz LOOQMGFNFOCVSI-UHFFFAOYSA-N 0 0 375.519 3.850 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000588455550 843357643 /nfs/dbraw/zinc/35/76/43/843357643.db2.gz VJLUNXBRMQWYSS-MQNTZWLQSA-N 0 0 375.513 3.801 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(c1ccc(O)cc1)S(=O)(=O)c1ccccc1 ZINC000588456511 843364038 /nfs/dbraw/zinc/36/40/38/843364038.db2.gz RBXPSARWMUYWLE-YPKPFQOOSA-N 0 0 394.452 3.531 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C[C@@H](C)C1 ZINC000123894299 843456986 /nfs/dbraw/zinc/45/69/86/843456986.db2.gz BGPDRJVZVFRTQA-GJZGRUSLSA-N 0 0 381.542 3.663 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000121944039 843533325 /nfs/dbraw/zinc/53/33/25/843533325.db2.gz ZGLLORHVPGVKSM-MGPLVRAMSA-N 0 0 389.240 3.886 10 0 GHAERN O=C(/C=C\c1ccncn1)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000588474871 844650897 /nfs/dbraw/zinc/65/08/97/844650897.db2.gz AMVCXUZLPIBWOU-MJSXRHKHSA-N 0 0 376.229 3.755 10 0 GHAERN Cc1nc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c(Br)s1 ZINC000408466870 844721905 /nfs/dbraw/zinc/72/19/05/844721905.db2.gz MRKOKPSAFQSBSA-JTQLQIEISA-N 0 0 399.314 3.740 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NCc3nnc(-c4ccccc4)s3)nc21 ZINC000150987966 845097089 /nfs/dbraw/zinc/09/70/89/845097089.db2.gz HZNNKGYUQWTKOZ-UHFFFAOYSA-N 0 0 377.473 3.639 10 0 GHAERN CCS[C@H]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc(C)n3)CC2)C1 ZINC000151571463 845252821 /nfs/dbraw/zinc/25/28/21/845252821.db2.gz QOAFTTKOVBEGES-MSOLQXFVSA-N 0 0 376.570 3.674 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000151671330 845461384 /nfs/dbraw/zinc/46/13/84/845461384.db2.gz BGNYKBNVIKLJSA-IRXDYDNUSA-N 0 0 395.425 3.501 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N(Cc2ccco2)C2CCCC2)cn1 ZINC000105168598 845949587 /nfs/dbraw/zinc/94/95/87/845949587.db2.gz QXWDJBXEMWHOEK-UHFFFAOYSA-N 0 0 379.464 3.823 10 0 GHAERN C[C@H]1C[C@H](c2noc(CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)n2)C[C@@H](C)C1 ZINC000329547652 861630758 /nfs/dbraw/zinc/63/07/58/861630758.db2.gz AZPQQRIJSFWHIJ-QRYYHVKRSA-N 0 0 394.475 3.707 10 0 GHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329547738 861630885 /nfs/dbraw/zinc/63/08/85/861630885.db2.gz BCLSAOVMSDXBHU-BRWVUGGUSA-N 0 0 376.501 3.560 10 0 GHAERN Cc1noc(C)c1-c1csc(=Nc2ccccc2)n1CCCn1ccnn1 ZINC000588496174 846120352 /nfs/dbraw/zinc/12/03/52/846120352.db2.gz VYLULBCODBZNNQ-UHFFFAOYSA-N 0 0 380.477 3.736 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(CC(=O)N(C)C)cc3)C2)cc1 ZINC000152278475 846525959 /nfs/dbraw/zinc/52/59/59/846525959.db2.gz AKXJQEROWDLOSJ-VQIMIIECSA-N 0 0 395.503 3.736 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588507598 846648097 /nfs/dbraw/zinc/64/80/97/846648097.db2.gz RPAKSDWFPHKBNQ-RAXLEYEMSA-N 0 0 397.456 3.673 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000119743356 846861323 /nfs/dbraw/zinc/86/13/23/846861323.db2.gz PUMPADFHGSYXJG-GWJCSSMESA-N 0 0 399.480 3.673 10 0 GHAERN COc1ccc(Cn2ccc(=NC(=O)/C=C\c3ccnc4ccccc34)[nH]2)cc1 ZINC000588525484 847415960 /nfs/dbraw/zinc/41/59/60/847415960.db2.gz ZMKQBQHGXQGWGD-FLIBITNWSA-N 0 0 384.439 3.562 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc2F)no1 ZINC000119901713 847614313 /nfs/dbraw/zinc/61/43/13/847614313.db2.gz SAWOXOPSLDDGKT-TYUXRXASSA-N 0 0 384.455 3.875 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CC[C@@H](C(F)(F)F)NC3=O)C2)sc1C ZINC000329635218 861854467 /nfs/dbraw/zinc/85/44/67/861854467.db2.gz XNTQKRMVQHBNRM-UPJWGTAASA-N 0 0 389.443 3.763 10 0 GHAERN Cc1ccccc1-c1cc(NC(=O)N2CCC(Cc3nccn3C)CC2)n(C)n1 ZINC000153523842 848601285 /nfs/dbraw/zinc/60/12/85/848601285.db2.gz DOLXSIMJEIMBFM-UHFFFAOYSA-N 0 0 392.507 3.616 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N(Cc1ccco1)Cc1cccnc1 ZINC000153630070 848801741 /nfs/dbraw/zinc/80/17/41/848801741.db2.gz APXYDWQXBDTRNV-LJQANCHMSA-N 0 0 393.468 3.707 10 0 GHAERN Cc1cc(C)c(N2CC[C@@H](NC(=O)/C=C\SCc3ccco3)C2=O)c(C)c1 ZINC000588569389 849375256 /nfs/dbraw/zinc/37/52/56/849375256.db2.gz IYLBFWRZFFGOIQ-IEODJVTJSA-N 0 0 384.501 3.873 10 0 GHAERN COc1cc(N)c(Cl)cc1C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000154892414 849395473 /nfs/dbraw/zinc/39/54/73/849395473.db2.gz WGHGDOYVPPVHLD-UHFFFAOYSA-N 0 0 385.851 3.867 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000042724289 851797996 /nfs/dbraw/zinc/79/79/96/851797996.db2.gz XEMHAEAKUSFMAN-GDBMZVCRSA-N 0 0 397.441 3.810 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCc2cccc3ccccc32)CC1 ZINC000101790308 851914406 /nfs/dbraw/zinc/91/44/06/851914406.db2.gz QRSWVJXUVXDHFE-GOSISDBHSA-N 0 0 395.547 3.965 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125251535 851970383 /nfs/dbraw/zinc/97/03/83/851970383.db2.gz DXHPAIOLVVNPCP-UHFFFAOYSA-N 0 0 378.480 3.633 10 0 GHAERN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329832823 862357584 /nfs/dbraw/zinc/35/75/84/862357584.db2.gz LBDFFOQFZTVLJB-KCYZZUKISA-N 0 0 381.501 3.923 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)c2ccccc21 ZINC000329846875 862369026 /nfs/dbraw/zinc/36/90/26/862369026.db2.gz QXGBXKGEOFUHGI-YLJYHZDGSA-N 0 0 380.492 3.621 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@@H]3c4ccccc4CCC3(C)C)CC2)oc1C ZINC000152995849 854017283 /nfs/dbraw/zinc/01/72/83/854017283.db2.gz KZUIZOVAQWKUGK-OAQYLSRUSA-N 0 0 396.535 3.832 10 0 GHAERN CC(C)(C(=O)Nc1ccc(CNC(N)=O)cc1)c1cccc(Br)c1 ZINC000102340685 854340087 /nfs/dbraw/zinc/34/00/87/854340087.db2.gz XLDBCMGHMYOEHW-UHFFFAOYSA-N 0 0 390.281 3.534 10 0 GHAERN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@H](n2cccn2)C1 ZINC000328685021 854508636 /nfs/dbraw/zinc/50/86/36/854508636.db2.gz FJPUREUSMDOWTE-XJKSGUPXSA-N 0 0 390.896 3.853 10 0 GHAERN O=C1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C2(CCC2)N1 ZINC000328761355 854531708 /nfs/dbraw/zinc/53/17/08/854531708.db2.gz YFGUINXFJJYJHM-ZDUSSCGKSA-N 0 0 384.910 3.875 10 0 GHAERN CCc1csc([C@@H]2CCCN(c3nn4c(C)nnc4c4ccccc43)C2)n1 ZINC000328796680 854560067 /nfs/dbraw/zinc/56/00/67/854560067.db2.gz DJCTWGYACAQWAG-CQSZACIVSA-N 0 0 378.505 3.989 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000328950068 854614115 /nfs/dbraw/zinc/61/41/15/854614115.db2.gz NGXJGJHXTINFGV-XUVXKRRUSA-N 0 0 394.519 3.689 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccnc3cc(Cl)ccc32)CC(=O)N1C ZINC000330147407 862614266 /nfs/dbraw/zinc/61/42/66/862614266.db2.gz UBVFYCNRFVKVGB-YLJYHZDGSA-N 0 0 383.883 3.622 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000330192123 862651154 /nfs/dbraw/zinc/65/11/54/862651154.db2.gz XNQZCCUUTBYTMQ-SOAMZJECSA-N 0 0 387.524 3.511 10 0 GHAERN C[C@@H]1C[C@@H](c2nc(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)no2)CCC1=O ZINC000330204886 862660365 /nfs/dbraw/zinc/66/03/65/862660365.db2.gz CZLLZKPBFYCHJC-MNOVXSKESA-N 0 0 398.488 3.722 10 0 GHAERN Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1Br ZINC000190495603 855327066 /nfs/dbraw/zinc/32/70/66/855327066.db2.gz BADUQSXYOWWHCJ-YJBOKZPZSA-N 0 0 381.314 3.594 10 0 GHAERN CC(C)(C)C(=O)N1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000157845643 855368190 /nfs/dbraw/zinc/36/81/90/855368190.db2.gz LPKBNXTYAFMTSN-SFHVURJKSA-N 0 0 399.535 3.723 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](c2ccccc2Cl)C(C)C)C1 ZINC000192380206 855796664 /nfs/dbraw/zinc/79/66/64/855796664.db2.gz QDBZFIFRFPKWSC-XKQJLSEDSA-N 0 0 392.887 3.900 10 0 GHAERN CCCCn1nc(C)c(/C=C/C(=O)NCc2ccc(-n3ccnc3)nc2)c1Cl ZINC000029219398 856027821 /nfs/dbraw/zinc/02/78/21/856027821.db2.gz LCCGIZNQVBDSDF-SOFGYWHQSA-N 0 0 398.898 3.555 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000184894116 856132200 /nfs/dbraw/zinc/13/22/00/856132200.db2.gz MXLDLJCOTRONMK-MJGOQNOKSA-N 0 0 384.501 3.528 10 0 GHAERN C[C@H]1CN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)CC(C)(C)O1 ZINC000128771705 856505042 /nfs/dbraw/zinc/50/50/42/856505042.db2.gz DLSHFHVWSOHPQN-JTQLQIEISA-N 0 0 384.267 3.605 10 0 GHAERN NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000113217572 856995077 /nfs/dbraw/zinc/99/50/77/856995077.db2.gz MPDUEQOHUUAZIU-QGZVFWFLSA-N 0 0 389.459 3.587 10 0 GHAERN Cn1nccc1C1CCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000156820572 857138166 /nfs/dbraw/zinc/13/81/66/857138166.db2.gz RVIIVNXZFLSGJF-UHFFFAOYSA-N 0 0 384.499 3.960 10 0 GHAERN O=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000136782355 857233481 /nfs/dbraw/zinc/23/34/81/857233481.db2.gz NLSRSBBNOGFVEC-JTSKRJEESA-N 0 0 399.466 3.850 10 0 GHAERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129925593 858338541 /nfs/dbraw/zinc/33/85/41/858338541.db2.gz UMIICQPTFFBENR-ZBFHGGJFSA-N 0 0 384.501 3.819 10 0 GHAERN COc1ccc(C(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)o1 ZINC000012203873 859302395 /nfs/dbraw/zinc/30/23/95/859302395.db2.gz CXNUJLDWRFQPIX-OAQYLSRUSA-N 0 0 390.430 3.695 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000272410556 859681487 /nfs/dbraw/zinc/68/14/87/859681487.db2.gz FKDQUMYQOBZEKD-MSOLQXFVSA-N 0 0 383.471 3.678 10 0 GHAERN Cc1ccc([C@@H]2CSCCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161559853 859703970 /nfs/dbraw/zinc/70/39/70/859703970.db2.gz SVYWBKBJWRVNQB-ROUUACIJSA-N 0 0 399.564 3.524 10 0 GHAERN CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000105378599 859819970 /nfs/dbraw/zinc/81/99/70/859819970.db2.gz COVAAGOTQOTCSN-SJLPKXTDSA-N 0 0 396.487 3.633 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162959415 859862257 /nfs/dbraw/zinc/86/22/57/859862257.db2.gz RWURZGISSWGXQT-IYXRBSQSSA-N 0 0 385.434 3.692 10 0 GHAERN COc1ccccc1-c1noc(CSc2nnnn2-c2c(C)cccc2C)n1 ZINC000015520644 860129297 /nfs/dbraw/zinc/12/92/97/860129297.db2.gz WIZIUVJMASFOKC-UHFFFAOYSA-N 0 0 394.460 3.630 10 0 GHAERN Cn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nc2sccc2c1=O ZINC000024631853 860335313 /nfs/dbraw/zinc/33/53/13/860335313.db2.gz NVUJHGGZQHPZGP-GFCCVEGCSA-N 0 0 391.543 3.512 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3Cc3ccc(C)cc3)C2)n1 ZINC000173064325 860629563 /nfs/dbraw/zinc/62/95/63/860629563.db2.gz FECCQGYIOAICIQ-RBUKOAKNSA-N 0 0 397.544 3.657 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000102695706 860819686 /nfs/dbraw/zinc/81/96/86/860819686.db2.gz SIJLQSZDSIJZHO-GFCCVEGCSA-N 0 0 378.856 3.655 10 0 GHAERN COc1ccc(Cn2ncc3cc(C(=O)N4CCCC4(C)C)cnc32)c(OC)c1 ZINC000102918962 860902728 /nfs/dbraw/zinc/90/27/28/860902728.db2.gz SZRDOXAWRMQEHB-UHFFFAOYSA-N 0 0 394.475 3.511 10 0 GHAERN O=C(NCCCn1cnc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102940504 860910458 /nfs/dbraw/zinc/91/04/58/860910458.db2.gz XFGCOUDNSOTANB-GOSISDBHSA-N 0 0 392.459 3.702 10 0 GHAERN Cc1cccc(OC[C@@H](O)CNC(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000102954506 860917736 /nfs/dbraw/zinc/91/77/36/860917736.db2.gz PWMLXZOTWMJGQF-ZDUSSCGKSA-N 0 0 386.345 3.714 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000329079212 860999176 /nfs/dbraw/zinc/99/91/76/860999176.db2.gz BXTVCOJVDZQBRS-LPHOPBHVSA-N 0 0 390.405 3.927 10 0 GHAERN CC(C)[C@H](c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C1=O ZINC000329220459 861162265 /nfs/dbraw/zinc/16/22/65/861162265.db2.gz BJNFIEJWNWXXHL-DZIWXPPMSA-N 0 0 384.476 3.750 10 0 GHAERN COC(=O)CSCc1cccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)c1 ZINC000103051630 863859348 /nfs/dbraw/zinc/85/93/48/863859348.db2.gz PFRIEEPOGPXUCJ-UHFFFAOYSA-N 0 0 395.484 3.839 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000103227551 863914635 /nfs/dbraw/zinc/91/46/35/863914635.db2.gz GITOEVPDBKOEBA-CQSZACIVSA-N 0 0 391.462 3.993 10 0 GHAERN COc1ccc(OC)c(CCNC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000103309773 863952821 /nfs/dbraw/zinc/95/28/21/863952821.db2.gz PFTAZKDIYJIKJT-QFIPXVFZSA-N 0 0 391.471 3.730 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)N3CCO[C@@H](c4ccccc4F)C3)c21 ZINC000103317503 863956535 /nfs/dbraw/zinc/95/65/35/863956535.db2.gz PWWYHWVDVIZCIG-HXUWFJFHSA-N 0 0 381.451 3.941 10 0 GHAERN CC(=O)N[C@@H](CC(=O)Nc1nnc(CC2CCCCC2)s1)c1ccccc1 ZINC000103421109 863977348 /nfs/dbraw/zinc/97/73/48/863977348.db2.gz RTZZPHWNRAUZFY-KRWDZBQOSA-N 0 0 386.521 3.867 10 0 GHAERN C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000103455705 863992038 /nfs/dbraw/zinc/99/20/38/863992038.db2.gz OFOJGYNWFMTYGY-LLVKDONJSA-N 0 0 399.235 3.839 10 0 GHAERN CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000103419778 864017739 /nfs/dbraw/zinc/01/77/39/864017739.db2.gz UNWZJBADELCDBK-UHFFFAOYSA-N 0 0 390.480 3.525 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)NCCc1ccc(NC(C)=O)cc1 ZINC000103619201 864033360 /nfs/dbraw/zinc/03/33/60/864033360.db2.gz PGEHERCLUZSQOI-NRFANRHFSA-N 0 0 395.503 3.613 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000103619126 864033585 /nfs/dbraw/zinc/03/35/85/864033585.db2.gz GEBRARSQEXOHNR-OAQYLSRUSA-N 0 0 383.467 3.743 10 0 GHAERN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103728514 864072214 /nfs/dbraw/zinc/07/22/14/864072214.db2.gz RAPYSRQRBHTNJT-UHFFFAOYSA-N 0 0 389.846 3.835 10 0 GHAERN Cc1ccc(CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C(C)C)s1 ZINC000103774147 864089699 /nfs/dbraw/zinc/08/96/99/864089699.db2.gz JOGFGFCJRGXYAH-UHFFFAOYSA-N 0 0 375.885 3.736 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000103864257 864101684 /nfs/dbraw/zinc/10/16/84/864101684.db2.gz PDQJXVURVUQAJW-KRWDZBQOSA-N 0 0 395.503 3.767 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cn1c(CSC)nc2ccccc21 ZINC000104457859 864325831 /nfs/dbraw/zinc/32/58/31/864325831.db2.gz FVGCGKSKBDFVHZ-UHFFFAOYSA-N 0 0 383.517 3.609 10 0 GHAERN CCc1cc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc(-c2ccccn2)n1 ZINC000301172346 865204771 /nfs/dbraw/zinc/20/47/71/865204771.db2.gz KOFCJPYWOIPTPV-GOSISDBHSA-N 0 0 389.507 3.760 10 0 GHAERN Fc1ccccc1Cc1nnc(N2CCC[C@H](c3nncn3C3CC3)C2)s1 ZINC000302185375 865755727 /nfs/dbraw/zinc/75/57/27/865755727.db2.gz TYQGPGMADWERQI-AWEZNQCLSA-N 0 0 384.484 3.578 10 0 GHAERN CCn1cc(C2CCN(Cc3nc4sc5c(c4c(N)n3)CCCC5)CC2)cn1 ZINC000103473283 866049117 /nfs/dbraw/zinc/04/91/17/866049117.db2.gz IXNWVEFFULGZSN-UHFFFAOYSA-N 0 0 396.564 3.748 10 0 GHAERN COc1cccc(CNC(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)n1 ZINC000102010990 866597917 /nfs/dbraw/zinc/59/79/17/866597917.db2.gz NOKWOCAOFNGGLM-INIZCTEOSA-N 0 0 377.391 3.568 10 0 GHAERN C[C@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)ncn2)C1 ZINC000110212031 866612917 /nfs/dbraw/zinc/61/29/17/866612917.db2.gz AVDBDNPRYCVJCD-INIZCTEOSA-N 0 0 397.498 3.569 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H](C)[C@H]2CCCO2)C3)cs1 ZINC000180297218 867062397 /nfs/dbraw/zinc/06/23/97/867062397.db2.gz HRNKAYYODBXZPU-XHDPSFHLSA-N 0 0 377.535 3.815 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c2ccccc2O1 ZINC000163267152 882052580 /nfs/dbraw/zinc/05/25/80/882052580.db2.gz ANRKCERRSBDSKX-NVXWUHKLSA-N 0 0 395.507 3.874 10 0 GHAERN COc1ccccc1[C@H]1CCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000170837476 882059239 /nfs/dbraw/zinc/05/92/39/882059239.db2.gz FQAHESLASUWAMF-QFBILLFUSA-N 0 0 379.460 3.668 10 0 GHAERN Cc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C(C)C)c1 ZINC000170890871 882067827 /nfs/dbraw/zinc/06/78/27/882067827.db2.gz FQGFIZICNRDYJZ-MSOLQXFVSA-N 0 0 385.533 3.612 10 0 GHAERN Cn1nccc1/C=C/C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000171011233 882068024 /nfs/dbraw/zinc/06/80/24/882068024.db2.gz CYHJGSUOLWTQLW-HVHJFMEUSA-N 0 0 397.866 3.543 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000171222906 882088997 /nfs/dbraw/zinc/08/89/97/882088997.db2.gz NQIOZXMRUIVOGW-QHCPKHFHSA-N 0 0 376.456 3.937 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)[C@H]1CCc2ccccc2C1 ZINC000172140204 882171962 /nfs/dbraw/zinc/17/19/62/882171962.db2.gz GNLUZZNISOQUND-IBGZPJMESA-N 0 0 382.529 3.616 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171901227 882177602 /nfs/dbraw/zinc/17/76/02/882177602.db2.gz XEBIKJFVFMVFMG-UHFFFAOYSA-N 0 0 394.519 3.985 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(F)c1 ZINC000172344021 882185633 /nfs/dbraw/zinc/18/56/33/882185633.db2.gz OKWPBOSCRSVPFU-UHFFFAOYSA-N 0 0 388.508 3.833 10 0 GHAERN c1[nH]c([C@@H]2CCCN(Cc3noc(C4CCOCC4)n3)C2)nc1-c1ccccc1 ZINC000114481809 869215995 /nfs/dbraw/zinc/21/59/95/869215995.db2.gz WZWZXUYALKIPOI-GOSISDBHSA-N 0 0 393.491 3.733 10 0 GHAERN CC(C)Cn1ccnc1NC(=O)c1ccc(F)cc1I ZINC000102358109 882287853 /nfs/dbraw/zinc/28/78/53/882287853.db2.gz VFXFDPDSAWABRK-UHFFFAOYSA-N 0 0 387.196 3.535 10 0 GHAERN O=C(c1ccccn1)N1CCC(C(=O)N(Cc2ccccc2)CC2CCC2)CC1 ZINC000172884984 882300466 /nfs/dbraw/zinc/30/04/66/882300466.db2.gz BLDXJFHEMJQJFT-UHFFFAOYSA-N 0 0 391.515 3.763 10 0 GHAERN O=C(N[C@@H]1CCSc2c(F)cccc21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172707399 882300927 /nfs/dbraw/zinc/30/09/27/882300927.db2.gz DXUAUBSROAVQLV-QZTJIDSGSA-N 0 0 399.491 3.569 10 0 GHAERN O=C(Nc1ccccc1OC1CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172831005 882311542 /nfs/dbraw/zinc/31/15/42/882311542.db2.gz MOEYBIGULOJZFK-UHFFFAOYSA-N 0 0 393.487 3.894 10 0 GHAERN COc1ccccc1-c1nnc(C[S@@](=O)Cc2csc(C(C)C)n2)o1 ZINC000172833516 882312035 /nfs/dbraw/zinc/31/20/35/882312035.db2.gz LKPNACZHLFQRHO-VWLOTQADSA-N 0 0 377.491 3.774 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2cc(OC)c(OC)cc2F)cc1 ZINC000172904771 882323164 /nfs/dbraw/zinc/32/31/64/882323164.db2.gz XGTMUEOQGKRKKY-SFHVURJKSA-N 0 0 388.439 3.627 10 0 GHAERN O=C(Nc1scnc1-c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172920136 882324940 /nfs/dbraw/zinc/32/49/40/882324940.db2.gz DVJSGVFGOXNARW-UHFFFAOYSA-N 0 0 392.484 3.696 10 0 GHAERN CC(C)(Cc1ccccc1Cl)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172973855 882325489 /nfs/dbraw/zinc/32/54/89/882325489.db2.gz UNTYOBODUWQAEK-UHFFFAOYSA-N 0 0 399.922 3.725 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000172975754 882325711 /nfs/dbraw/zinc/32/57/11/882325711.db2.gz YRVNPRFILKHQCR-UHFFFAOYSA-N 0 0 376.416 3.571 10 0 GHAERN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2C)c1 ZINC000173004804 882331700 /nfs/dbraw/zinc/33/17/00/882331700.db2.gz DKEOOCNBLDURSK-FQEVSTJZSA-N 0 0 379.460 3.511 10 0 GHAERN CCC[C@H](C)c1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)n[nH]1 ZINC000173336919 882354874 /nfs/dbraw/zinc/35/48/74/882354874.db2.gz NKENVSHTFZEFSE-AWEZNQCLSA-N 0 0 386.471 3.943 10 0 GHAERN CCCCN(Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 ZINC000173355903 882356168 /nfs/dbraw/zinc/35/61/68/882356168.db2.gz MCQMAGZCEKMCCM-AWEZNQCLSA-N 0 0 382.913 3.784 10 0 GHAERN Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)s1 ZINC000173372780 882358075 /nfs/dbraw/zinc/35/80/75/882358075.db2.gz NIZNTOSVNCWQFA-OAHLLOKOSA-N 0 0 387.553 3.835 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN(C(=O)C4CC4)C3)C2)n1 ZINC000173964626 869977249 /nfs/dbraw/zinc/97/72/49/869977249.db2.gz LDRXXCKZTHZMMY-IAGOWNOFSA-N 0 0 389.565 3.621 10 0 GHAERN CCc1nc(CCNC(=O)Cn2c3ccccc3nc2-c2cscn2)cs1 ZINC000102377856 882365653 /nfs/dbraw/zinc/36/56/53/882365653.db2.gz KRISUWDIOQFIBA-UHFFFAOYSA-N 0 0 397.529 3.538 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)N(Cc1ccoc1)C1CCCCC1 ZINC000173727202 882369945 /nfs/dbraw/zinc/36/99/45/882369945.db2.gz BTOBAUFFDUCNKT-UHFFFAOYSA-N 0 0 383.496 3.583 10 0 GHAERN Cn1cc(CCNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2ccc(Cl)cc21 ZINC000186990485 870245002 /nfs/dbraw/zinc/24/50/02/870245002.db2.gz LQHAKXLCCUHORY-IIBYNOLFSA-N 0 0 389.927 3.711 10 0 GHAERN Cc1ccc(-c2ocnc2C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000173690374 882391985 /nfs/dbraw/zinc/39/19/85/882391985.db2.gz MVIPYRLDDCCKDN-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2nc(CC(C)C)no2)cc1 ZINC000173776848 882402889 /nfs/dbraw/zinc/40/28/89/882402889.db2.gz WHGKARKGMVRMHU-QGZVFWFLSA-N 0 0 389.521 3.874 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c2cnn(Cc3cccs3)c2n1 ZINC000046496012 870434167 /nfs/dbraw/zinc/43/41/67/870434167.db2.gz DHDJIAPAYHCYDH-RTBURBONSA-N 0 0 396.516 3.633 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)CCCOc3ccc(F)cc3)C2)c1 ZINC000102383548 882416034 /nfs/dbraw/zinc/41/60/34/882416034.db2.gz XSDGLGABRGJAEU-KRWDZBQOSA-N 0 0 386.467 3.636 10 0 GHAERN CCCNC(=O)c1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174069026 882421143 /nfs/dbraw/zinc/42/11/43/882421143.db2.gz SIXIZZITXODYMP-UHFFFAOYSA-N 0 0 383.467 3.682 10 0 GHAERN O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000106569072 870618659 /nfs/dbraw/zinc/61/86/59/870618659.db2.gz IBTAHMCGNBZADL-GOSISDBHSA-N 0 0 389.503 3.731 10 0 GHAERN O=C(Nc1ccc(CN2CCCC2=O)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000114809879 870631937 /nfs/dbraw/zinc/63/19/37/870631937.db2.gz KDMPCUVGAIDRJY-MRXNPFEDSA-N 0 0 384.505 3.677 10 0 GHAERN COCCCOc1ccc(C(=O)O[C@H](c2ccccc2)c2cccnc2)cn1 ZINC000102969590 870870878 /nfs/dbraw/zinc/87/08/78/870870878.db2.gz ZHRARYFURMUVGP-OAQYLSRUSA-N 0 0 378.428 3.838 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174402893 882467818 /nfs/dbraw/zinc/46/78/18/882467818.db2.gz QXPCNBIHHQTTAQ-RTBURBONSA-N 0 0 383.496 3.671 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3OC(F)F)CC2)nc1 ZINC000174498413 882472230 /nfs/dbraw/zinc/47/22/30/882472230.db2.gz OTCWCCMHDMQNPF-UHFFFAOYSA-N 0 0 376.407 3.782 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000248515087 871445380 /nfs/dbraw/zinc/44/53/80/871445380.db2.gz FOYQAZAJHFZYCS-ZTFGCOKTSA-N 0 0 382.863 3.520 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccccc3-c3nc(C)no3)C2)c1 ZINC000175406550 882552109 /nfs/dbraw/zinc/55/21/09/882552109.db2.gz SJHJXLADWOOXGU-HNNXBMFYSA-N 0 0 393.443 3.692 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000175227671 882559078 /nfs/dbraw/zinc/55/90/78/882559078.db2.gz VIISTNFJCUWHAS-UHFFFAOYSA-N 0 0 385.464 3.890 10 0 GHAERN O=c1ccc(-c2ccc(F)cc2)nn1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000103461248 872043191 /nfs/dbraw/zinc/04/31/91/872043191.db2.gz AQKYADBYKKVEJX-FQEVSTJZSA-N 0 0 399.853 3.734 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175489095 882586091 /nfs/dbraw/zinc/58/60/91/882586091.db2.gz QYKYRTRVWYLXOV-OAHLLOKOSA-N 0 0 378.519 3.672 10 0 GHAERN CNC(=O)c1cccc(OC(=O)C(C)(C)c2cccc(Br)c2)c1 ZINC000102228620 872763473 /nfs/dbraw/zinc/76/34/73/872763473.db2.gz HMDHIIINJHRJDP-UHFFFAOYSA-N 0 0 376.250 3.692 10 0 GHAERN CCOCCOCc1cccc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102319982 872898865 /nfs/dbraw/zinc/89/88/65/872898865.db2.gz SZBGPNXXZZVXKY-UHFFFAOYSA-N 0 0 386.473 3.589 10 0 GHAERN COc1cccc(/C(C)=C/C(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000176064194 882663453 /nfs/dbraw/zinc/66/34/53/882663453.db2.gz PNHMHJYWNIDWST-JQIJEIRASA-N 0 0 384.501 3.535 10 0 GHAERN COc1ccccc1CC1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 ZINC000102413607 873052850 /nfs/dbraw/zinc/05/28/50/873052850.db2.gz BMCQGPCIMAMONQ-UHFFFAOYSA-N 0 0 394.924 3.528 10 0 GHAERN O=C(c1cccc(-n2cncn2)c1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000115385865 873086376 /nfs/dbraw/zinc/08/63/76/873086376.db2.gz DFARRKSUYWSQJZ-LJQANCHMSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)N[C@H](c1cccc(F)c1)C1CCCC1 ZINC000176476082 882696771 /nfs/dbraw/zinc/69/67/71/882696771.db2.gz GZHSXUZLLVVJRI-IBGZPJMESA-N 0 0 394.454 3.532 10 0 GHAERN Cc1cccc(-c2nc(CC(=O)NCC3CCC4(CC3)OCCO4)cs2)c1 ZINC000176495907 882697976 /nfs/dbraw/zinc/69/79/76/882697976.db2.gz WIHGBJAWKHMCKU-UHFFFAOYSA-N 0 0 386.517 3.711 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246624 873368003 /nfs/dbraw/zinc/36/80/03/873368003.db2.gz VXLPGTIFJDJJAH-SIKLNZKXSA-N 0 0 393.531 3.688 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000176626474 882720217 /nfs/dbraw/zinc/72/02/17/882720217.db2.gz DHAVFWKSVJXSJX-SFHVURJKSA-N 0 0 389.496 3.639 10 0 GHAERN O=C(NC[C@H](Cc1ccccc1)c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000176659819 882722790 /nfs/dbraw/zinc/72/27/90/882722790.db2.gz SSAPWOGMUCQUTM-NRFANRHFSA-N 0 0 389.503 3.651 10 0 GHAERN Cc1ncsc1CCOC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000102707059 873468471 /nfs/dbraw/zinc/46/84/71/873468471.db2.gz YNYQTMHWRISFDS-UHFFFAOYSA-N 0 0 376.478 3.876 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)Oc2ccc(Br)cc2C(C)=O)C1 ZINC000102711125 873472173 /nfs/dbraw/zinc/47/21/73/873472173.db2.gz CSMUOZOWMXVTTR-ZDUSSCGKSA-N 0 0 396.281 3.596 10 0 GHAERN Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)cnn1C ZINC000102744385 873526299 /nfs/dbraw/zinc/52/62/99/873526299.db2.gz XEZHKUYOQXVHBS-TXEJJXNPSA-N 0 0 396.413 3.613 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(Br)c1 ZINC000161649137 873549024 /nfs/dbraw/zinc/54/90/24/873549024.db2.gz QHKORWFVKRIQFX-KSYCFECVSA-N 0 0 379.298 3.767 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N(Cc1ccccc1F)C1CC1 ZINC000116568534 873567332 /nfs/dbraw/zinc/56/73/32/873567332.db2.gz NHEJDSQVOZXEAW-JTSKRJEESA-N 0 0 396.510 3.805 10 0 GHAERN COc1ccccc1CN1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000102791770 873586600 /nfs/dbraw/zinc/58/66/00/873586600.db2.gz NSKVQTPOIZTYGL-UHFFFAOYSA-N 0 0 395.890 3.855 10 0 GHAERN O=C(c1cc(Cl)cc(Br)c1[O-])N1CCC([NH+]2CCCC2)CC1 ZINC000177149695 882767236 /nfs/dbraw/zinc/76/72/36/882767236.db2.gz AGVRAGCASXYHLZ-UHFFFAOYSA-N 0 0 387.705 3.509 10 0 GHAERN CC(C)Oc1nn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(=S)s1 ZINC000102921121 873881708 /nfs/dbraw/zinc/88/17/08/873881708.db2.gz DGUJTIZWINJFHC-ZDUSSCGKSA-N 0 0 379.507 3.985 10 0 GHAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000177231565 882774861 /nfs/dbraw/zinc/77/48/61/882774861.db2.gz JNWAKIQYOMIEFL-UHFFFAOYSA-N 0 0 380.419 3.957 10 0 GHAERN O=C(Nc1ccccc1SC(F)F)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177505447 882809398 /nfs/dbraw/zinc/80/93/98/882809398.db2.gz WXSYJSSUKFHPJR-LLVKDONJSA-N 0 0 397.472 3.803 10 0 GHAERN O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177754959 882823679 /nfs/dbraw/zinc/82/36/79/882823679.db2.gz RBGJQTYXWKSRJM-HXUWFJFHSA-N 0 0 399.498 3.846 10 0 GHAERN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177813998 882829968 /nfs/dbraw/zinc/82/99/68/882829968.db2.gz KJRMTFYQTZUWKZ-FQEVSTJZSA-N 0 0 389.459 3.832 10 0 GHAERN CC(C)C[C@H](C)S(=O)(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000118434314 874527482 /nfs/dbraw/zinc/52/74/82/874527482.db2.gz RVKHSRZCEYMQDK-LBPRGKRZSA-N 0 0 391.455 3.763 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1)C(C)C ZINC000119047000 874855449 /nfs/dbraw/zinc/85/54/49/874855449.db2.gz PEHJHHRMOZABAK-OAQYLSRUSA-N 0 0 396.491 3.524 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2)n1 ZINC000119056329 874861148 /nfs/dbraw/zinc/86/11/48/874861148.db2.gz AQQYROBHNUQNFV-VXGBXAGGSA-N 0 0 398.454 3.705 10 0 GHAERN Cc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1NC(=O)c1ccccc1 ZINC000178301668 882884518 /nfs/dbraw/zinc/88/45/18/882884518.db2.gz TVPBHBARCHREFJ-VXKWHMMOSA-N 0 0 386.451 3.635 10 0 GHAERN C[C@@H](c1cccc(O)c1)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178457180 882893740 /nfs/dbraw/zinc/89/37/40/882893740.db2.gz XYXCQNBEHAYTAG-HNNXBMFYSA-N 0 0 384.451 3.603 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000178553473 882901493 /nfs/dbraw/zinc/90/14/93/882901493.db2.gz PPFJRJGTDFAYMT-GFCCVEGCSA-N 0 0 392.912 3.910 10 0 GHAERN CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(OCc2cccc(C)c2)cc1C ZINC000105582002 875341091 /nfs/dbraw/zinc/34/10/91/875341091.db2.gz BTUFBJIIEVLOFU-FQEVSTJZSA-N 0 0 384.501 3.742 10 0 GHAERN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000178715409 882915073 /nfs/dbraw/zinc/91/50/73/882915073.db2.gz MHNPAKNYLQBYMT-AZUAARDMSA-N 0 0 386.879 3.713 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@@](=O)Cc1csc(Br)c1 ZINC000105692123 875366171 /nfs/dbraw/zinc/36/61/71/875366171.db2.gz NJOUAFNWWDYATM-PRWKNARSSA-N 0 0 380.373 3.844 10 0 GHAERN CC(C)Cn1ncc(C(=O)N2CCC(Cc3ccccn3)CC2)c1C(F)F ZINC000179354592 882963965 /nfs/dbraw/zinc/96/39/65/882963965.db2.gz BHFLNRQVGZOCEH-UHFFFAOYSA-N 0 0 376.451 3.967 10 0 GHAERN COc1ccc(OC)c(CCCNC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000179382225 882967534 /nfs/dbraw/zinc/96/75/34/882967534.db2.gz OWWIQUREANQCRW-INIZCTEOSA-N 0 0 389.521 3.682 10 0 GHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000179301882 882987960 /nfs/dbraw/zinc/98/79/60/882987960.db2.gz DSGCGIUCQGBRPX-KDOFPFPSSA-N 0 0 383.879 3.504 10 0 GHAERN Cc1occc1-c1nnc(SCC(=O)N2CCC[C@@H]2c2cccs2)n1C ZINC000021846539 876061646 /nfs/dbraw/zinc/06/16/46/876061646.db2.gz MNLNQJIKCPBDPZ-CQSZACIVSA-N 0 0 388.518 3.901 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 ZINC000179646047 883016713 /nfs/dbraw/zinc/01/67/13/883016713.db2.gz AXVGABQGIXJXSM-LJQANCHMSA-N 0 0 394.450 3.873 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000179953177 883040664 /nfs/dbraw/zinc/04/06/64/883040664.db2.gz JQXHJKQDQZJUKQ-WLBISTCBSA-N 0 0 395.381 3.560 10 0 GHAERN COc1ccc2nc(Cl)c(C(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)cc2c1 ZINC000180242027 883068235 /nfs/dbraw/zinc/06/82/35/883068235.db2.gz KDCQZTOSJWMKBS-MRXNPFEDSA-N 0 0 399.882 3.877 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCCc3nc4ccccc4[nH]3)CC2)nc1 ZINC000180857913 883103178 /nfs/dbraw/zinc/10/31/78/883103178.db2.gz REINSENBFLEUNB-UHFFFAOYSA-N 0 0 378.476 3.659 10 0 GHAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N[C@H]1CCCc2cc(F)ccc21 ZINC000129468728 877325146 /nfs/dbraw/zinc/32/51/46/877325146.db2.gz ZZSAIQYPJIHTFT-QUCCMNQESA-N 0 0 387.499 3.684 10 0 GHAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)cc1 ZINC000004308991 877672810 /nfs/dbraw/zinc/67/28/10/877672810.db2.gz ZMSJANXUONKOAW-QQMNAOGKSA-N 0 0 399.535 3.563 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 ZINC000121939409 878060343 /nfs/dbraw/zinc/06/03/43/878060343.db2.gz KPFSARQFEAEGER-UHFFFAOYSA-N 0 0 393.512 3.808 10 0 GHAERN CNS(=O)(=O)c1cccc(NC(=O)N2CCCC3(C2)CCCCCC3)c1 ZINC000175105287 878155166 /nfs/dbraw/zinc/15/51/66/878155166.db2.gz VRRJBBOTDDSMNG-UHFFFAOYSA-N 0 0 379.526 3.563 10 0 GHAERN FC(F)(F)c1cc(Br)cc(CN2CCC(n3cncn3)CC2)c1 ZINC000122537020 879060011 /nfs/dbraw/zinc/06/00/11/879060011.db2.gz GQWOZBZGYJKZKV-UHFFFAOYSA-N 0 0 389.219 3.897 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(F)cc1OCC(F)F ZINC000180801693 883124776 /nfs/dbraw/zinc/12/47/76/883124776.db2.gz FFXHWLLPZRXGLX-OAHLLOKOSA-N 0 0 396.390 3.911 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000181454829 883154048 /nfs/dbraw/zinc/15/40/48/883154048.db2.gz UWEUENCUYRMROL-GMAHTHKFSA-N 0 0 391.515 3.868 10 0 GHAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1NC(=O)c1ccccc1 ZINC000181187772 883154268 /nfs/dbraw/zinc/15/42/68/883154268.db2.gz CUPBEEPDXAEMKZ-LJQANCHMSA-N 0 0 389.459 3.733 10 0 GHAERN CCOc1cc(Cl)ccc1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000181826947 883187215 /nfs/dbraw/zinc/18/72/15/883187215.db2.gz ASDQQVIMSZORHL-UHFFFAOYSA-N 0 0 392.908 3.789 10 0 GHAERN CC(C)[C@@H](C(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc(Cl)c1 ZINC000181929993 883193760 /nfs/dbraw/zinc/19/37/60/883193760.db2.gz KRNKAKITJNTERN-HXUWFJFHSA-N 0 0 389.927 3.675 10 0 GHAERN O=C(C=Cc1ccc(Oc2cccnc2)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000182108438 883204676 /nfs/dbraw/zinc/20/46/76/883204676.db2.gz GWRMZANAECSJDH-KOEDOTQGSA-N 0 0 393.422 3.898 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)NCCCCNC(=O)OC(C)(C)C)C2)n1 ZINC000182802424 883219981 /nfs/dbraw/zinc/21/99/81/883219981.db2.gz PRMLRQNKYCYNRF-HNNXBMFYSA-N 0 0 396.557 3.645 10 0 GHAERN COc1ccc(C(=O)N2CCC(c3nc(C)cs3)CC2)nc1Br ZINC000182990920 883254927 /nfs/dbraw/zinc/25/49/27/883254927.db2.gz JKPWQGAVBGRKEI-UHFFFAOYSA-N 0 0 396.310 3.637 10 0 GHAERN CC(C)(c1nnc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000183080536 883260898 /nfs/dbraw/zinc/26/08/98/883260898.db2.gz WAJOOLGILMMLOU-CQSZACIVSA-N 0 0 397.508 3.741 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000183490592 883267202 /nfs/dbraw/zinc/26/72/02/883267202.db2.gz DJTUPSCQXWOIIT-ICSRJNTNSA-N 0 0 385.533 3.865 10 0 GHAERN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(C)C)c(F)c1 ZINC000184000212 883295789 /nfs/dbraw/zinc/29/57/89/883295789.db2.gz GBAGNBWOFWSFND-UHFFFAOYSA-N 0 0 380.423 3.584 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Cl)c2)c2ccc(F)cc2C1 ZINC000184017476 883299545 /nfs/dbraw/zinc/29/95/45/883299545.db2.gz DVOWRWPPNVFDFY-LJQANCHMSA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCCc3ccccc32)c2ccc(F)cc2C1 ZINC000184038687 883302855 /nfs/dbraw/zinc/30/28/55/883302855.db2.gz MLSWCMUYOSAJAK-VXKWHMMOSA-N 0 0 395.478 3.996 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccc(F)cc2C1 ZINC000184070604 883315761 /nfs/dbraw/zinc/31/57/61/883315761.db2.gz YFERTLDWOGLCHU-YYAZDPENSA-N 0 0 399.510 3.887 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2F)c2ccc(F)cc2C1 ZINC000184160492 883325323 /nfs/dbraw/zinc/32/53/23/883325323.db2.gz LXIUBZAVWKNTLZ-MRXNPFEDSA-N 0 0 396.796 3.981 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccnc3ccccc32)c2ccc(F)cc2C1 ZINC000184160103 883325448 /nfs/dbraw/zinc/32/54/48/883325448.db2.gz YKWFRENORIUIKA-OAQYLSRUSA-N 0 0 377.419 3.597 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184735669 883363850 /nfs/dbraw/zinc/36/38/50/883363850.db2.gz BCEAHFADAJXMSZ-INIZCTEOSA-N 0 0 395.492 3.813 10 0 GHAERN COC(=O)[C@@H](C)Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000184859804 883387903 /nfs/dbraw/zinc/38/79/03/883387903.db2.gz GQDAWWBOTFHPIU-HOCLYGCPSA-N 0 0 387.505 3.906 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000185131155 883423475 /nfs/dbraw/zinc/42/34/75/883423475.db2.gz PQFHPYWTKSNPKM-CABCVRRESA-N 0 0 397.508 3.957 10 0 GHAERN CCOCc1cccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185299287 883432588 /nfs/dbraw/zinc/43/25/88/883432588.db2.gz ZSFNERUSMUBATJ-OAQYLSRUSA-N 0 0 399.466 3.977 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3ccn(C)c3c2)c2ccc(F)cc2C1 ZINC000185363603 883440849 /nfs/dbraw/zinc/44/08/49/883440849.db2.gz DAVCVDHYFVHDRT-HXUWFJFHSA-N 0 0 394.450 3.932 10 0 GHAERN COc1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c(C)c1 ZINC000185303131 883452002 /nfs/dbraw/zinc/45/20/02/883452002.db2.gz ZTJMPKYBOXHRBA-FQEVSTJZSA-N 0 0 385.439 3.758 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2c(F)cccc2Cl)c2ccc(F)cc2C1 ZINC000185501916 883546080 /nfs/dbraw/zinc/54/60/80/883546080.db2.gz TYFZCFAFCABTBA-QGZVFWFLSA-N 0 0 378.806 3.842 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)OC2CCCCCC2)c2ccc(F)cc2C1 ZINC000185545941 883554384 /nfs/dbraw/zinc/55/43/84/883554384.db2.gz UWXBAVSEAHNZMB-YCRPNKLZSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185568273 883557966 /nfs/dbraw/zinc/55/79/66/883557966.db2.gz LOWIPDPQRZRUBK-FCHUYYIVSA-N 0 0 380.463 3.929 10 0 GHAERN Cc1nc([C@H](NC(=O)NC2(Cc3ccccc3)CC2)c2ccccc2F)no1 ZINC000185698391 883573825 /nfs/dbraw/zinc/57/38/25/883573825.db2.gz VWERNYQWFHFYEV-GOSISDBHSA-N 0 0 380.423 3.681 10 0 GHAERN CC(C)Cc1nnc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)s1 ZINC000102567139 883578189 /nfs/dbraw/zinc/57/81/89/883578189.db2.gz PPYCBNGEXKWQOO-UHFFFAOYSA-N 0 0 389.456 3.895 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc(COc4ccccc4F)on3)CCO2)o1 ZINC000185943845 883591419 /nfs/dbraw/zinc/59/14/19/883591419.db2.gz NIERDAMKNVHYFG-IBGZPJMESA-N 0 0 386.379 3.508 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000186217316 883623087 /nfs/dbraw/zinc/62/30/87/883623087.db2.gz IJFBPPLIVAGNNM-HXUWFJFHSA-N 0 0 398.890 3.676 10 0 GHAERN Cc1nccn1-c1ccc([C@@H](C)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243938 883624660 /nfs/dbraw/zinc/62/46/60/883624660.db2.gz XVWKXGVPFLXDDZ-QRWLVFNGSA-N 0 0 381.501 3.750 10 0 GHAERN COc1cc(NC(=O)N2CCCN(c3ccccn3)CC2)ccc1OC(C)C ZINC000186275075 883634621 /nfs/dbraw/zinc/63/46/21/883634621.db2.gz LVJJHIOKQBTDJF-UHFFFAOYSA-N 0 0 384.480 3.622 10 0 GHAERN CCSCc1cc(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)no1 ZINC000186285838 883636419 /nfs/dbraw/zinc/63/64/19/883636419.db2.gz QNKMTBHSZIFMPH-ZDUSSCGKSA-N 0 0 376.478 3.575 10 0 GHAERN O=C(Cc1csc(-c2cccs2)n1)N1CCCN(c2ccccn2)CC1 ZINC000186390868 883654678 /nfs/dbraw/zinc/65/46/78/883654678.db2.gz LQGWMHQEHWWRHJ-UHFFFAOYSA-N 0 0 384.530 3.548 10 0 GHAERN CN1Cc2cc(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)ccc2NC1=O ZINC000186596209 883668722 /nfs/dbraw/zinc/66/87/22/883668722.db2.gz IHMGITQMVWVZNW-FQEVSTJZSA-N 0 0 394.475 3.568 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)Nc1ccc3c(c1)CN(C)C(=O)N3)CCC2 ZINC000186614830 883674732 /nfs/dbraw/zinc/67/47/32/883674732.db2.gz KYBUXZBSGNUCMU-MRXNPFEDSA-N 0 0 385.493 3.970 10 0 GHAERN CN1Cc2cc(NC(=O)NC3(c4noc(C5CC5)n4)CCCC3)ccc2NC1=O ZINC000186648019 883680655 /nfs/dbraw/zinc/68/06/55/883680655.db2.gz AHHFBVRRUIUWPE-UHFFFAOYSA-N 0 0 396.451 3.515 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3)ccc2NC1=O ZINC000186660211 883684977 /nfs/dbraw/zinc/68/49/77/883684977.db2.gz QATAGHQAFVWKGD-INIZCTEOSA-N 0 0 399.882 3.718 10 0 GHAERN O=C(NCCCCOCc1ccccc1)N1CCC(Nc2nccs2)CC1 ZINC000186691470 883687821 /nfs/dbraw/zinc/68/78/21/883687821.db2.gz DGZLBWNPEJDATQ-UHFFFAOYSA-N 0 0 388.537 3.726 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000186806356 883707527 /nfs/dbraw/zinc/70/75/27/883707527.db2.gz BICYVNXBBVWMQO-UHFFFAOYSA-N 0 0 379.507 3.695 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)nc21 ZINC000186874151 883726464 /nfs/dbraw/zinc/72/64/64/883726464.db2.gz DICLQYQFIOYGCQ-QFIPXVFZSA-N 0 0 391.450 3.582 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)NC2CCC(O)(c3cccnc3)CC2)c1 ZINC000187327076 883769902 /nfs/dbraw/zinc/76/99/02/883769902.db2.gz QJJXWQDGPFTLLY-CMDGGOBGSA-N 0 0 380.488 3.829 10 0 GHAERN C[C@@H](NC(=O)c1cc(Br)ncc1Cl)[C@@H]1COc2ccccc21 ZINC000187664659 883806546 /nfs/dbraw/zinc/80/65/46/883806546.db2.gz BTHDMMDDOONHCE-SKDRFNHKSA-N 0 0 381.657 3.792 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187713289 883816086 /nfs/dbraw/zinc/81/60/86/883816086.db2.gz XTURCJYFAXWKPW-KBPBESRZSA-N 0 0 376.528 3.781 10 0 GHAERN Cc1nc([C@@H](NC(=O)Cc2ccc(OC(C)C)cc2)c2ccccc2F)no1 ZINC000188019632 883820575 /nfs/dbraw/zinc/82/05/75/883820575.db2.gz IFIBDULVQYFGKR-FQEVSTJZSA-N 0 0 383.423 3.753 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)c2csc(-c3ccsc3)n2)n1 ZINC000188651648 883868600 /nfs/dbraw/zinc/86/86/00/883868600.db2.gz JBEJFDRWDFHZFE-ZDUSSCGKSA-N 0 0 377.516 3.850 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000188679792 883870260 /nfs/dbraw/zinc/87/02/60/883870260.db2.gz UVFJYQZMJUAWHM-AWEZNQCLSA-N 0 0 380.778 3.505 10 0 GHAERN CSc1c(F)cc(NC(=O)C(=O)N[C@H]2CCOc3c(C)cccc32)cc1F ZINC000188693786 883871141 /nfs/dbraw/zinc/87/11/41/883871141.db2.gz HIQBRUITEYLPNY-HNNXBMFYSA-N 0 0 392.427 3.574 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000188912293 883884211 /nfs/dbraw/zinc/88/42/11/883884211.db2.gz IWIIIVVZRATQMY-OAHLLOKOSA-N 0 0 381.501 3.536 10 0 GHAERN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000063352344 883931166 /nfs/dbraw/zinc/93/11/66/883931166.db2.gz MTWHRFOHYLGYOH-PMACEKPBSA-N 0 0 387.499 3.506 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1nc(C(C)(C)C)no1 ZINC000189375613 883942102 /nfs/dbraw/zinc/94/21/02/883942102.db2.gz ATRRPZNEFXDZQU-CQSZACIVSA-N 0 0 384.480 3.706 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2-c2ccccc2)cs1 ZINC000189451199 883955850 /nfs/dbraw/zinc/95/58/50/883955850.db2.gz XARKYMONEVFUNT-SFHVURJKSA-N 0 0 392.484 3.816 10 0 GHAERN C[C@@H](Cc1nc2ccccc2s1)NC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000063499471 883991412 /nfs/dbraw/zinc/99/14/12/883991412.db2.gz RPLBAKJNNJWQFC-YVEFUNNKSA-N 0 0 397.525 3.847 10 0 GHAERN Cc1ccc(C)n1-c1c(C(=O)N2CC3(CCOCC3)c3ccccc32)cnn1C ZINC000189785524 883995372 /nfs/dbraw/zinc/99/53/72/883995372.db2.gz ZHCVKZHDWRJISK-UHFFFAOYSA-N 0 0 390.487 3.536 10 0 GHAERN CC(C)NC(=O)Nc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189825706 884014498 /nfs/dbraw/zinc/01/44/98/884014498.db2.gz ZJKWUPZSIVQVIQ-UHFFFAOYSA-N 0 0 393.487 3.925 10 0 GHAERN CCOc1c(OC)cc(CN2CCC(Nc3nccs3)CC2)cc1OC ZINC000189958896 884027184 /nfs/dbraw/zinc/02/71/84/884027184.db2.gz BPJIIJVBSQJGPZ-UHFFFAOYSA-N 0 0 377.510 3.636 10 0 GHAERN O=C(NCc1coc(-c2cccs2)n1)N1CCC(Nc2nccs2)CC1 ZINC000190098226 884037412 /nfs/dbraw/zinc/03/74/12/884037412.db2.gz WOADWVZSUSTANB-UHFFFAOYSA-N 0 0 389.506 3.646 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000190036367 884044706 /nfs/dbraw/zinc/04/47/06/884044706.db2.gz MMQBHCOKYANEDQ-MJGOQNOKSA-N 0 0 386.496 3.904 10 0 GHAERN Cc1ccc([C@@](O)(CC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)C(F)(F)F)o1 ZINC000190199406 884051849 /nfs/dbraw/zinc/05/18/49/884051849.db2.gz PIHJVLAPXNASKS-SNRMKQJTSA-N 0 0 397.393 3.622 10 0 GHAERN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)[nH]n1 ZINC000190264602 884062615 /nfs/dbraw/zinc/06/26/15/884062615.db2.gz HPOSVYJQTJGBJO-CQSZACIVSA-N 0 0 399.445 3.725 10 0 GHAERN O=C(c1cc(F)ccc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190375994 884073573 /nfs/dbraw/zinc/07/35/73/884073573.db2.gz IJAQSYQAIQWHSK-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN COc1ccc(COCCCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190419790 884079125 /nfs/dbraw/zinc/07/91/25/884079125.db2.gz OTHFXHAHDYWEGS-UHFFFAOYSA-N 0 0 389.521 3.552 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191116181 884154711 /nfs/dbraw/zinc/15/47/11/884154711.db2.gz HVIGNPFAJPNVPJ-RMKNXTFCSA-N 0 0 377.419 3.852 10 0 GHAERN Cc1csc(Sc2ccc(NC(=O)N3CCCN(C)C(=O)C3)c(C)c2)n1 ZINC000191918154 884221929 /nfs/dbraw/zinc/22/19/29/884221929.db2.gz ZWUJLUVKQUAKND-UHFFFAOYSA-N 0 0 390.534 3.607 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cc1 ZINC000192405923 884260095 /nfs/dbraw/zinc/26/00/95/884260095.db2.gz KXRHCSZFINJXBX-DHZHZOJOSA-N 0 0 398.890 3.822 10 0 GHAERN Cn1cnnc1[C@H]1CCCN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C1 ZINC000193082220 884326381 /nfs/dbraw/zinc/32/63/81/884326381.db2.gz ZCVXWUFHUQRMRP-MRZGDXHCSA-N 0 0 396.438 3.846 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc(CNC(C)=O)s1 ZINC000102856430 884582203 /nfs/dbraw/zinc/58/22/03/884582203.db2.gz FNAFXXWROXOSGT-UHFFFAOYSA-N 0 0 396.896 3.705 10 0 GHAERN O=S(=O)(Cc1csc(C2CCCC2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105715074 884841934 /nfs/dbraw/zinc/84/19/34/884841934.db2.gz KLUBRHFKUUMVNV-UHFFFAOYSA-N 0 0 379.463 3.559 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1cc(-c2ccncc2)on1 ZINC000101531831 885944596 /nfs/dbraw/zinc/94/45/96/885944596.db2.gz SESCXKJRBWZVCS-UHFFFAOYSA-N 0 0 378.363 3.503 10 0 GHAERN CCc1cccc(Oc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cn2)c1 ZINC000101745876 885953436 /nfs/dbraw/zinc/95/34/36/885953436.db2.gz XIROCRJWDMPALN-UHFFFAOYSA-N 0 0 392.463 3.897 10 0 GHAERN Cc1cc(NC(=O)N2CCC(n3cncn3)CC2)ccc1Oc1cccnc1 ZINC000101749869 885953457 /nfs/dbraw/zinc/95/34/57/885953457.db2.gz IEMUMLSDQMPJOL-UHFFFAOYSA-N 0 0 378.436 3.643 10 0 GHAERN COc1ccc(Br)cc1/C=C/C(=O)N1CCC(n2ccnc2)CC1 ZINC000101864035 885959349 /nfs/dbraw/zinc/95/93/49/885959349.db2.gz BPGFBPYRXZPOGM-GORDUTHDSA-N 0 0 390.281 3.531 10 0 GHAERN CC(C)(CNC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000102013659 885964140 /nfs/dbraw/zinc/96/41/40/885964140.db2.gz CSVDDECYEVHKSM-UHFFFAOYSA-N 0 0 396.322 3.909 10 0 GHAERN O=C(NCCCCOCc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104345262 886002836 /nfs/dbraw/zinc/00/28/36/886002836.db2.gz NKUQKOUHDKINKP-OAQYLSRUSA-N 0 0 395.503 3.796 10 0 GHAERN CS(=O)(=O)Cc1ccccc1NC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000105025111 886007428 /nfs/dbraw/zinc/00/74/28/886007428.db2.gz LIEJQMOKVVALPS-LJQANCHMSA-N 0 0 384.457 3.735 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccccc2)[nH]1 ZINC000105102155 886011047 /nfs/dbraw/zinc/01/10/47/886011047.db2.gz LWTSTIKKHVLHSJ-SOUVJXGZSA-N 0 0 381.402 3.623 10 0 GHAERN CCCOCc1ccccc1CNC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000105155849 886013745 /nfs/dbraw/zinc/01/37/45/886013745.db2.gz BLBHYCOBQCYLFD-FQEVSTJZSA-N 0 0 393.491 3.629 10 0 GHAERN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(Cc3nccn3C)CC2)c(Cl)c1 ZINC000106164372 886027475 /nfs/dbraw/zinc/02/74/75/886027475.db2.gz REDWIIOPCXXXRJ-MRXNPFEDSA-N 0 0 388.943 3.972 10 0 GHAERN CC(C)c1[nH]nc(C(=O)Nc2cccc(-c3ncon3)c2)c1Br ZINC000106914512 886040818 /nfs/dbraw/zinc/04/08/18/886040818.db2.gz QVQAXKSMLKBZMI-UHFFFAOYSA-N 0 0 376.214 3.598 10 0 GHAERN O=C(c1sccc1S(=O)(=O)C(F)F)N1CC=C(c2ccccc2)CC1 ZINC000108151484 886063004 /nfs/dbraw/zinc/06/30/04/886063004.db2.gz VVEKOVNNTNRBCL-UHFFFAOYSA-N 0 0 383.441 3.674 10 0 GHAERN O=C1Nc2ccccc2[C@H]1Cc1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000109576903 886135887 /nfs/dbraw/zinc/13/58/87/886135887.db2.gz DDZMPKGDZJDEMX-LJQANCHMSA-N 0 0 398.422 3.989 10 0 GHAERN CC(C)n1cnnc1[C@H]1CCCN(C(=O)/C=C/c2cccc3cccnc23)C1 ZINC000109999190 886167349 /nfs/dbraw/zinc/16/73/49/886167349.db2.gz LPMMEZBLXRWFOF-VYENPZKTSA-N 0 0 375.476 3.827 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000029173224 886194442 /nfs/dbraw/zinc/19/44/42/886194442.db2.gz BBVLJQTYYXDCFG-UHFFFAOYSA-N 0 0 391.446 3.628 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000110762626 886209868 /nfs/dbraw/zinc/20/98/68/886209868.db2.gz OMGYGQIDSUMGSZ-VEGGFIAOSA-N 0 0 380.492 3.820 10 0 GHAERN Cc1nc(-c2ccco2)ccc1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307554 886257926 /nfs/dbraw/zinc/25/79/26/886257926.db2.gz ARLWMXJKUGJVQP-UHFFFAOYSA-N 0 0 395.484 3.700 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1Cl)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112351667 886259067 /nfs/dbraw/zinc/25/90/67/886259067.db2.gz QHSFPLNVWYRISA-CQSZACIVSA-N 0 0 391.924 3.577 10 0 GHAERN CSCc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112424450 886262946 /nfs/dbraw/zinc/26/29/46/886262946.db2.gz LXGJFALRZIOPAR-UHFFFAOYSA-N 0 0 389.546 3.991 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000112912688 886277151 /nfs/dbraw/zinc/27/71/51/886277151.db2.gz CIEIHOFYZVJCJD-HOTGVXAUSA-N 0 0 390.455 3.505 10 0 GHAERN CO[C@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000114812421 886328946 /nfs/dbraw/zinc/32/89/46/886328946.db2.gz PSYAYPQLFPHEEY-KGLIPLIRSA-N 0 0 388.493 3.528 10 0 GHAERN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117641913 886389802 /nfs/dbraw/zinc/38/98/02/886389802.db2.gz WHQZWPAJVLEEQX-MGPUTAFESA-N 0 0 396.512 3.687 10 0 GHAERN C[C@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000117955719 886396954 /nfs/dbraw/zinc/39/69/54/886396954.db2.gz QEKROUNTEZSAPH-AWEZNQCLSA-N 0 0 390.530 3.712 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000117974544 886398824 /nfs/dbraw/zinc/39/88/24/886398824.db2.gz RRMOWJQSPQYPTN-NRFANRHFSA-N 0 0 379.435 3.597 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1 ZINC000119915057 886488861 /nfs/dbraw/zinc/48/88/61/886488861.db2.gz SGSSUXGLGANBHI-CZUORRHYSA-N 0 0 387.480 3.611 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CCO2)o1 ZINC000332983798 886564459 /nfs/dbraw/zinc/56/44/59/886564459.db2.gz ZZGIEYILDIVYMQ-JLSDUUJJSA-N 0 0 384.480 3.915 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)CC2)n1 ZINC000124195825 886715679 /nfs/dbraw/zinc/71/56/79/886715679.db2.gz KOBAYAZSERSVFE-NHCUHLMSSA-N 0 0 394.519 3.578 10 0 GHAERN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000104930067 886787688 /nfs/dbraw/zinc/78/76/88/886787688.db2.gz DGJQOBQTMSOAOV-GFCCVEGCSA-N 0 0 381.762 3.534 10 0 GHAERN CN1CC[C@H](CNC(=O)NCc2nc(C(F)(F)F)cs2)c2ccccc21 ZINC000125664026 886889221 /nfs/dbraw/zinc/88/92/21/886889221.db2.gz HKIJBZIFMIUVEV-LLVKDONJSA-N 0 0 384.427 3.585 10 0 GHAERN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000044205697 886942436 /nfs/dbraw/zinc/94/24/36/886942436.db2.gz SXAOEFPCRQFFJB-UHFFFAOYSA-N 0 0 389.455 3.657 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)N(Cc1cccs1)C1CC1 ZINC000045739561 887090749 /nfs/dbraw/zinc/09/07/49/887090749.db2.gz DHTGPQVARPBYFA-UHFFFAOYSA-N 0 0 389.565 3.993 10 0 GHAERN COc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2C)c2nccn2C)cc1 ZINC000127955746 887128978 /nfs/dbraw/zinc/12/89/78/887128978.db2.gz QPDJXXPXGIUFSJ-HKBOAZHASA-N 0 0 375.472 3.746 10 0 GHAERN O=C(NCc1cccnc1-n1cccn1)N(Cc1ccco1)Cc1cccs1 ZINC000046094841 887141669 /nfs/dbraw/zinc/14/16/69/887141669.db2.gz NDGAWWQVJXGFQO-UHFFFAOYSA-N 0 0 393.472 3.834 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000104996243 887165619 /nfs/dbraw/zinc/16/56/19/887165619.db2.gz LLXPNRMWPTXGIO-UHFFFAOYSA-N 0 0 381.476 3.919 10 0 GHAERN C[C@H](NC(=O)c1cc(Br)cnc1Cl)[C@H]1COc2ccccc21 ZINC000128436558 887186012 /nfs/dbraw/zinc/18/60/12/887186012.db2.gz IYYXBTHCSUOQTI-TVQRCGJNSA-N 0 0 381.657 3.792 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000128662114 887209963 /nfs/dbraw/zinc/20/99/63/887209963.db2.gz HOQFZUYEVIYCIO-DHZHZOJOSA-N 0 0 384.520 3.738 10 0 GHAERN CCSc1ccc(Cl)cc1NC(=O)N1CCN(c2cccnn2)CC1 ZINC000105048434 887338099 /nfs/dbraw/zinc/33/80/99/887338099.db2.gz UCJMDYHSFULTQG-UHFFFAOYSA-N 0 0 377.901 3.596 10 0 GHAERN COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@@H](c4nccs4)C3)[nH]2)c1 ZINC000129965576 887374185 /nfs/dbraw/zinc/37/41/85/887374185.db2.gz INYLHPGJHSQRPX-OAHLLOKOSA-N 0 0 382.489 3.870 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)c(C)c1 ZINC000132031015 887601526 /nfs/dbraw/zinc/60/15/26/887601526.db2.gz WSFWYFUHNPIRSE-UHFFFAOYSA-N 0 0 386.521 3.597 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cccnc3SCc3cc(C)on3)CCO2)o1 ZINC000133401316 887762190 /nfs/dbraw/zinc/76/21/90/887762190.db2.gz MLQXQFXRICVLOV-SFHVURJKSA-N 0 0 399.472 3.785 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccccc3-c3nnc(C)o3)C2)c1 ZINC000133823993 887805102 /nfs/dbraw/zinc/80/51/02/887805102.db2.gz YITSPVVCRHZGJF-OAHLLOKOSA-N 0 0 393.443 3.692 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3OCc3c(C)noc3C)CCO2)o1 ZINC000133921037 887815490 /nfs/dbraw/zinc/81/54/90/887815490.db2.gz FZJGZMVIUHWEBO-OAQYLSRUSA-N 0 0 396.443 3.986 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3csc(Cc4ccccc4F)n3)CCO2)o1 ZINC000134183298 887839821 /nfs/dbraw/zinc/83/98/21/887839821.db2.gz ULXVOTYFXIBPRC-SFHVURJKSA-N 0 0 386.448 3.988 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2sccc2-c2ccccc2)C1 ZINC000134290578 887848821 /nfs/dbraw/zinc/84/88/21/887848821.db2.gz BFJNDESMKOJZBJ-SJLPKXTDSA-N 0 0 381.501 3.734 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3CCC[C@H]([C@@H](O)c4nccn4C)C3)o2)cc1 ZINC000134372407 887864361 /nfs/dbraw/zinc/86/43/61/887864361.db2.gz FLVAYWSMZYLDQB-GHTZIAJQSA-N 0 0 393.487 3.828 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000134376090 887865793 /nfs/dbraw/zinc/86/57/93/887865793.db2.gz NVRVGJVCDWRTQQ-RDTXWAMCSA-N 0 0 396.318 3.632 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000135324324 888230192 /nfs/dbraw/zinc/23/01/92/888230192.db2.gz NAZRQDSHIYADDL-INIZCTEOSA-N 0 0 399.482 3.667 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)n1 ZINC000135409480 888237146 /nfs/dbraw/zinc/23/71/46/888237146.db2.gz HCEYJFIUHUDIKR-ZDUSSCGKSA-N 0 0 388.422 3.548 10 0 GHAERN Cc1cccc(OC[C@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000054165528 888267650 /nfs/dbraw/zinc/26/76/50/888267650.db2.gz XZNICTSWIPYETI-KRWDZBQOSA-N 0 0 398.478 3.570 10 0 GHAERN Cc1noc(C2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)n1 ZINC000054674327 888285484 /nfs/dbraw/zinc/28/54/84/888285484.db2.gz JYUOLACPUMYZOO-QPJJXVBHSA-N 0 0 376.254 3.560 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)CC2)C1 ZINC000055345559 888315096 /nfs/dbraw/zinc/31/50/96/888315096.db2.gz BFBZVTWUPNKHAB-STZQEDGTSA-N 0 0 398.547 3.651 10 0 GHAERN CC1(C)CC(=O)c2cc(C(=O)N3CC=C(c4ccccc4F)CC3)c(=O)[nH]c2C1 ZINC000137343049 888348221 /nfs/dbraw/zinc/34/82/21/888348221.db2.gz CJACRMPCGQXTCR-UHFFFAOYSA-N 0 0 394.446 3.599 10 0 GHAERN CC[C@H](NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1cccs1 ZINC000057243828 888393087 /nfs/dbraw/zinc/39/30/87/888393087.db2.gz LIYVFJKYDDJTIR-AWEZNQCLSA-N 0 0 376.482 3.556 10 0 GHAERN COc1ccc(S[C@H](C)C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000057890850 888417465 /nfs/dbraw/zinc/41/74/65/888417465.db2.gz DCJJVPLMLBOOMH-ACJLOTCBSA-N 0 0 382.489 3.508 10 0 GHAERN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)ccc1C(N)=O ZINC000105373576 888424791 /nfs/dbraw/zinc/42/47/91/888424791.db2.gz OSIVYXSBXCDAJN-QFIPXVFZSA-N 0 0 385.467 3.836 10 0 GHAERN O=C(NC1CCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1)c1ccccc1F ZINC000058229407 888429577 /nfs/dbraw/zinc/42/95/77/888429577.db2.gz QFTGMUGKBUJQJV-UHFFFAOYSA-N 0 0 398.453 3.808 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)NCc2ccccc2OC2CCC2)C1 ZINC000141294860 888480637 /nfs/dbraw/zinc/48/06/37/888480637.db2.gz KEVZERCGGGULSL-KRWDZBQOSA-N 0 0 382.508 3.516 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000194318689 888575832 /nfs/dbraw/zinc/57/58/32/888575832.db2.gz RUDONUBCEDTUFV-FUHWJXTLSA-N 0 0 387.524 3.655 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCO[C@H]3c3ccccc3)CC2)CC1 ZINC000194729764 888616225 /nfs/dbraw/zinc/61/62/25/888616225.db2.gz HDYHGKZXEXWSHF-VXKWHMMOSA-N 0 0 398.547 3.651 10 0 GHAERN COc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Cl ZINC000194899409 888628599 /nfs/dbraw/zinc/62/85/99/888628599.db2.gz FSMIXEQNYCRUOD-UHFFFAOYSA-N 0 0 390.842 3.979 10 0 GHAERN COc1ccccc1-n1ncc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1C ZINC000195219562 888654673 /nfs/dbraw/zinc/65/46/73/888654673.db2.gz SLAFRKBGTBLWRP-OAHLLOKOSA-N 0 0 382.489 3.666 10 0 GHAERN C[C@@H](c1cccnc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533034 888853355 /nfs/dbraw/zinc/85/33/55/888853355.db2.gz IRIQPXVROUQVCF-PXNSSMCTSA-N 0 0 395.503 3.599 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000245556814 888933725 /nfs/dbraw/zinc/93/37/25/888933725.db2.gz SEHBBIJZTSNREJ-NBHGPNQESA-N 0 0 393.487 3.580 10 0 GHAERN COc1cc(-c2nc(CN3CC[C@@H](C)[C@H](n4ccnc4)C3)cs2)ccc1O ZINC000245583511 888996796 /nfs/dbraw/zinc/99/67/96/888996796.db2.gz JKLBVTBKWHLVAH-RHSMWYFYSA-N 0 0 384.505 3.804 10 0 GHAERN C[N@@H+]1CC[C@H](CNC(=O)Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245650764 889165714 /nfs/dbraw/zinc/16/57/14/889165714.db2.gz CFSODTGEVZVFKG-FOIQADDNSA-N 0 0 376.859 3.536 10 0 GHAERN Cc1ccc(-c2nc(CN3CCC[C@H]([C@@H](O)c4nccn4C)C3)cs2)cc1 ZINC000245685310 889223574 /nfs/dbraw/zinc/22/35/74/889223574.db2.gz MOKVQXPDEYMPDA-PKOBYXMFSA-N 0 0 382.533 3.798 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1CCN(c2nc3ccccc3o2)CC1 ZINC000246070251 890307910 /nfs/dbraw/zinc/30/79/10/890307910.db2.gz BQDVJUCBSGFCDG-NSISKUIASA-N 0 0 395.503 3.508 10 0 GHAERN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246195114 890651899 /nfs/dbraw/zinc/65/18/99/890651899.db2.gz OIRVXHJNZPIVRD-CRAIPNDOSA-N 0 0 393.530 3.618 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000246250051 890837841 /nfs/dbraw/zinc/83/78/41/890837841.db2.gz HUBQQLLJNYMOHI-YPAWHYETSA-N 0 0 376.500 3.617 10 0 GHAERN CCn1cnnc1C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000067005291 891139368 /nfs/dbraw/zinc/13/93/68/891139368.db2.gz HQQZOXZVMWRIKN-VOTSOKGWSA-N 0 0 378.398 3.736 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000068230061 891172121 /nfs/dbraw/zinc/17/21/21/891172121.db2.gz HPMXPHRYWNCTIJ-OAHLLOKOSA-N 0 0 378.428 3.814 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1cccc(-n2cccn2)c1 ZINC000246411705 891229893 /nfs/dbraw/zinc/22/98/93/891229893.db2.gz CAWXAYPWTVEYMK-ILZDJORESA-N 0 0 394.475 3.824 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246527233 891283577 /nfs/dbraw/zinc/28/35/77/891283577.db2.gz PAYDFDXBEVWTEK-YSIASYRMSA-N 0 0 399.560 3.872 10 0 GHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246567171 891287061 /nfs/dbraw/zinc/28/70/61/891287061.db2.gz LHBVPINXSXUAQG-MZMPZRCHSA-N 0 0 391.874 3.789 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000246668272 891296221 /nfs/dbraw/zinc/29/62/21/891296221.db2.gz FNUYYICETMBXMV-JKSUJKDBSA-N 0 0 388.512 3.698 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1C(=O)NC(C)C ZINC000246774108 891305161 /nfs/dbraw/zinc/30/51/61/891305161.db2.gz PCECDZQDZOLTEP-GUDVDZBRSA-N 0 0 385.508 3.602 10 0 GHAERN C[C@H](NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000246942895 891325202 /nfs/dbraw/zinc/32/52/02/891325202.db2.gz NPGBYLGXDUSWEO-RKTMXUFFSA-N 0 0 391.471 3.589 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000247623786 891387985 /nfs/dbraw/zinc/38/79/85/891387985.db2.gz UCVQSWIFQRAWKG-HQRMLTQVSA-N 0 0 385.508 3.638 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)n1 ZINC000248567465 891428626 /nfs/dbraw/zinc/42/86/26/891428626.db2.gz BYGOZUUTBAOXSB-JEBQAFNWSA-N 0 0 391.512 3.992 10 0 GHAERN Cc1cc(C)c(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400745 891432360 /nfs/dbraw/zinc/43/23/60/891432360.db2.gz LEBVKCGLARUDLS-WBVHZDCISA-N 0 0 379.838 3.805 10 0 GHAERN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248440152 891436560 /nfs/dbraw/zinc/43/65/60/891436560.db2.gz UMQLTTBBGNTDNH-TZMCWYRMSA-N 0 0 392.385 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000248723656 891461235 /nfs/dbraw/zinc/46/12/35/891461235.db2.gz MNXNPVYFAYTURX-PNHOKKKMSA-N 0 0 375.488 3.839 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000248761654 891466301 /nfs/dbraw/zinc/46/63/01/891466301.db2.gz GPCCIEHMQPORGM-WDYCEAGBSA-N 0 0 382.485 3.526 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000249197520 891501372 /nfs/dbraw/zinc/50/13/72/891501372.db2.gz RRRLRLCGXUNJLY-MAODMQOUSA-N 0 0 379.483 3.533 10 0 GHAERN CCCN(C(=O)c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)C(C)C ZINC000252687019 891725696 /nfs/dbraw/zinc/72/56/96/891725696.db2.gz AVUNJPSDZMIFMJ-QXAKKESOSA-N 0 0 387.524 3.882 10 0 GHAERN Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000253558932 891881087 /nfs/dbraw/zinc/88/10/87/891881087.db2.gz PKKPMQLVKAYLPN-UCLAIMLFSA-N 0 0 380.492 3.522 10 0 GHAERN C[C@H]1C[N@@H+](C2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)CCO1 ZINC000079490757 892407907 /nfs/dbraw/zinc/40/79/07/892407907.db2.gz AWGPPZDRCXTHGN-HNNXBMFYSA-N 0 0 375.513 3.634 10 0 GHAERN Cn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332968803 893387430 /nfs/dbraw/zinc/38/74/30/893387430.db2.gz ZZLKVHCVUFICLM-MSOLQXFVSA-N 0 0 380.492 3.933 10 0 GHAERN O=C(NC[C@@H]1CCCCN1C(=O)CCc1ccccc1O)Nc1ccccc1 ZINC000103249012 898077205 /nfs/dbraw/zinc/07/72/05/898077205.db2.gz WAQCQTFUFNNIMX-IBGZPJMESA-N 0 0 381.476 3.528 10 0 GHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333390366 902056532 /nfs/dbraw/zinc/05/65/32/902056532.db2.gz CMMNWUKCLVTDMO-KYJSFNMBSA-N 0 0 377.916 3.834 10 0 GHAERN CC1(C)CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC[S@@]1=O ZINC000333616521 902226492 /nfs/dbraw/zinc/22/64/92/902226492.db2.gz OYELHDSSJVWFDZ-CRYYWNKWSA-N 0 0 390.549 3.766 10 0 GHAERN Cn1cc(NC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)c(C2CCCCC2)n1 ZINC000333676911 902264237 /nfs/dbraw/zinc/26/42/37/902264237.db2.gz OSTCLCDVNVBRCQ-INIZCTEOSA-N 0 0 389.544 3.626 10 0 GHAERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333847496 902368764 /nfs/dbraw/zinc/36/87/64/902368764.db2.gz WNDYSQTXECHUOH-QKLQHJQFSA-N 0 0 380.492 3.511 10 0 GHAERN C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21)c1c(F)cccc1Cl ZINC000175904005 905699458 /nfs/dbraw/zinc/69/94/58/905699458.db2.gz RTYMACXRVIXIOQ-IAQYHMDHSA-N 0 0 396.871 3.758 10 0 GHAERN Cc1cc(Br)c(F)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184833986 907665695 /nfs/dbraw/zinc/66/56/95/907665695.db2.gz XNNIRYDHVIGECF-ZDUSSCGKSA-N 0 0 382.237 3.774 10 0 GHAERN COCCOc1ccc(CNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000186312320 907905798 /nfs/dbraw/zinc/90/57/98/907905798.db2.gz QLRKCNVKIQYQJI-SFHVURJKSA-N 0 0 375.494 3.523 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000186351137 907912138 /nfs/dbraw/zinc/91/21/38/907912138.db2.gz FBTXRLSSEBNSNI-QGZVFWFLSA-N 0 0 396.426 3.677 10 0 GHAERN COc1ccc(Cn2cc(C(=O)N3CCC[C@H]3c3csc(C)n3)cn2)cc1 ZINC000187072730 908031386 /nfs/dbraw/zinc/03/13/86/908031386.db2.gz WJELRYUIPPMJCN-IBGZPJMESA-N 0 0 382.489 3.682 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)cs1 ZINC000187138411 908045412 /nfs/dbraw/zinc/04/54/12/908045412.db2.gz LKSDRVFLCNKVCY-AWEZNQCLSA-N 0 0 392.550 3.799 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccc(NC(=O)N(C)C)c2)cs1 ZINC000187275335 908065567 /nfs/dbraw/zinc/06/55/67/908065567.db2.gz ZUBSIGSOLRLHMY-KRWDZBQOSA-N 0 0 387.509 3.592 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccc(O)c(Br)c2)cs1 ZINC000187617614 908114229 /nfs/dbraw/zinc/11/42/29/908114229.db2.gz CYJBISJLJUUVNX-AWEZNQCLSA-N 0 0 396.310 3.966 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188596848 908229391 /nfs/dbraw/zinc/22/93/91/908229391.db2.gz QFMYPGPZRGAFAI-HNNXBMFYSA-N 0 0 378.885 3.834 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)C1 ZINC000189421265 908320230 /nfs/dbraw/zinc/32/02/30/908320230.db2.gz GOIIAYBDOVVRSE-PKOBYXMFSA-N 0 0 397.479 3.983 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccccc2Br)cs1 ZINC000189463284 908328103 /nfs/dbraw/zinc/32/81/03/908328103.db2.gz NSGLQJDOVDKWPH-AWEZNQCLSA-N 0 0 394.294 3.516 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](c2cccc(Cl)c2)C(C)C)C1 ZINC000190005515 908400725 /nfs/dbraw/zinc/40/07/25/908400725.db2.gz PCAFRJWASFOIIV-IXDOHACOSA-N 0 0 377.872 3.760 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000190007173 908400785 /nfs/dbraw/zinc/40/07/85/908400785.db2.gz UKNLIRZUXXTPBF-LPHOPBHVSA-N 0 0 399.397 3.925 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000190036789 908409801 /nfs/dbraw/zinc/40/98/01/908409801.db2.gz SOMBANGESPYGPU-WBVHZDCISA-N 0 0 389.521 3.756 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3C[C@H](OC)C[C@H]3c3nc(C)no3)o2)cc1 ZINC000190043587 908411516 /nfs/dbraw/zinc/41/15/16/908411516.db2.gz BXACKEBTEPIQBC-SJORKVTESA-N 0 0 381.432 3.803 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCc4c3cccc4Cl)CCO2)n1 ZINC000194084841 908913745 /nfs/dbraw/zinc/91/37/45/908913745.db2.gz VLBRXKNMWSTUCH-HOTGVXAUSA-N 0 0 377.897 3.875 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1coc(Br)c1)CCCC2 ZINC000284673322 911981827 /nfs/dbraw/zinc/98/18/27/911981827.db2.gz RBYMPQZUXTWNAC-CQSZACIVSA-N 0 0 378.270 3.632 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000363023016 917638553 /nfs/dbraw/zinc/63/85/53/917638553.db2.gz YYRWLOZKGSKXPM-LBPRGKRZSA-N 0 0 384.766 3.778 10 0 GHAERN Cc1[nH]c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC(C)(C)C2)cc1C(=O)[O-] ZINC000700218179 976938347 /nfs/dbraw/zinc/93/83/47/976938347.db2.gz KBFPVWHGAYHQSD-AWEZNQCLSA-N 0 0 379.501 3.537 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)C2CCCCC2)c2ccc(F)cc2C1 ZINC000184025755 1014570537 /nfs/dbraw/zinc/57/05/37/1014570537.db2.gz CLWVSSGMKRBIOC-XOBRGWDASA-N 0 0 375.488 3.887 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4nccs4)CC3)cc2)n1 ZINC000019221008 210231294 /nfs/dbraw/zinc/23/12/94/210231294.db2.gz RLSDJJXCRXSPCW-UHFFFAOYSA-N 0 0 395.532 3.796 10 0 GHAERN CO[C@H](c1ccc2c(c1)CN(C(=O)c1cnsn1)CCO2)C1CCCCC1 ZINC000014995317 210141042 /nfs/dbraw/zinc/14/10/42/210141042.db2.gz ZVUYKLWSBXGQLC-IBGZPJMESA-N 0 0 387.505 3.841 10 0 GHAERN C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)N1C(=O)c2ccccc2C1=O ZINC000014377260 210116267 /nfs/dbraw/zinc/11/62/67/210116267.db2.gz FFVREEWSELKGJE-NSHDSACASA-N 0 0 395.415 3.572 10 0 GHAERN O=C(NC[C@H]1COc2ccccc2O1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000003044523 209408792 /nfs/dbraw/zinc/40/87/92/209408792.db2.gz GYQGYDZAOBMHEU-KRWDZBQOSA-N 0 0 397.434 3.867 10 0 GHAERN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c(c1)OCO2 ZINC000006335963 212068913 /nfs/dbraw/zinc/06/89/13/212068913.db2.gz BRIBTUSFWXBDNU-FARCUNLSSA-N 0 0 376.206 3.838 10 0 GHAERN CC(=O)OC(C)(C)[C@@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]1OC(=O)CC(C)C ZINC000031162208 211936892 /nfs/dbraw/zinc/93/68/92/211936892.db2.gz OCJYICPEXFGZLF-VQTJNVASSA-N 0 0 388.416 3.526 10 0 GHAERN CCOC(=O)CC1(c2ccc(Br)cc2)CN(C(=O)OC(C)(C)C)C1 ZINC000098210130 211379625 /nfs/dbraw/zinc/37/96/25/211379625.db2.gz ZSNFNJRSAPPNBP-UHFFFAOYSA-N 0 0 398.297 3.891 10 0 GHAERN CC(=O)c1nc2cccnc2n1C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000095082751 211219125 /nfs/dbraw/zinc/21/91/25/211219125.db2.gz BGTLGYVSDFSYIG-SFHVURJKSA-N 0 0 392.459 3.825 10 0 GHAERN CC(=O)c1nc2cccnc2n1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095082772 211218262 /nfs/dbraw/zinc/21/82/62/211218262.db2.gz UOWFHGZWTVHHNJ-UHFFFAOYSA-N 0 0 392.459 3.683 10 0 GHAERN COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c3ccoc3ccc2[C@H]1OC(C)=O ZINC000085664849 211176937 /nfs/dbraw/zinc/17/69/37/211176937.db2.gz DUWADQUXPNOAOS-RZUBCFFCSA-N 0 0 396.395 3.991 10 0 biogenic GHAERN CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2N)ncn1 ZINC000071973740 211065903 /nfs/dbraw/zinc/06/59/03/211065903.db2.gz VZYLPSDEXQZULY-NTCAYCPXSA-N 0 0 393.399 3.804 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032974467 210609734 /nfs/dbraw/zinc/60/97/34/210609734.db2.gz RHEZCNOZNHXGMR-UHFFFAOYSA-N 0 0 395.459 3.996 10 0 GHAERN Cn1cc(-c2ccccc2)c2ccn(Cc3ccc(F)c(F)c3)c(=O)c2c1=O ZINC000031776943 210567353 /nfs/dbraw/zinc/56/73/53/210567353.db2.gz WARWSBOBBPGWDY-UHFFFAOYSA-N 0 0 378.378 3.694 10 0 GHAERN C[C@@H](Cc1cc(C(=O)N2CCN(C3CCCCC3)C(=O)C2)on1)c1ccccc1 ZINC000020294721 210325985 /nfs/dbraw/zinc/32/59/85/210325985.db2.gz AGMFFJZZTKGHCY-KRWDZBQOSA-N 0 0 395.503 3.638 10 0 GHAERN Cc1nonc1CN(C)C(=O)c1cc(C(c2ccccc2)c2ccccc2)no1 ZINC000011839862 221131478 /nfs/dbraw/zinc/13/14/78/221131478.db2.gz IQUBHOXROKZCIX-UHFFFAOYSA-N 0 0 388.427 3.818 10 0 GHAERN C[C@H]1CCCC[C@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000103581408 136191132 /nfs/dbraw/zinc/19/11/32/136191132.db2.gz SJSJFFFPGAOERB-REDKUUPNSA-N 0 0 379.460 3.579 10 0 GHAERN COc1cccc(-c2cc(=O)[nH]c(NCc3cccc(Br)c3)n2)c1 ZINC000057341431 525698983 /nfs/dbraw/zinc/69/89/83/525698983.db2.gz NXLUJCMRRNQJHD-UHFFFAOYSA-N 0 0 386.249 3.820 10 0 GHAERN CCN(C[C@@H]1CCCCO1)C(=O)c1cc(-c2cncnc2)nc2ccccc21 ZINC000023478864 570363812 /nfs/dbraw/zinc/36/38/12/570363812.db2.gz ZBDUJZUQWUYEGU-KRWDZBQOSA-N 0 0 376.460 3.723 10 0 GHAERN C[C@@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250240 570585396 /nfs/dbraw/zinc/58/53/96/570585396.db2.gz SRVIETLJXKJGAO-WIYYLYMNSA-N 0 0 391.600 3.527 10 0 GHAERN CC[C@@H](C)N(CCc1nc(-c2cc(OC)cc(OC)c2)no1)C(=O)CC(C)C ZINC000102847012 570867368 /nfs/dbraw/zinc/86/73/68/570867368.db2.gz HWSCSLAVVONCRX-OAHLLOKOSA-N 0 0 389.496 3.970 10 0 GHAERN COc1ccccc1CCN(C)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000104458195 837429062 /nfs/dbraw/zinc/42/90/62/837429062.db2.gz LZFBPHZLUOOJTM-UHFFFAOYSA-N 0 0 393.487 3.754 10 0 GHAERN Cc1cc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)nc2ccccc12 ZINC000176413324 837577686 /nfs/dbraw/zinc/57/76/86/837577686.db2.gz FONNGKPAVHADCG-IBGZPJMESA-N 0 0 375.476 3.838 10 0 GHAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176413515 837577912 /nfs/dbraw/zinc/57/79/12/837577912.db2.gz YNFCMQBGZVLWFS-QGZVFWFLSA-N 0 0 398.894 3.797 10 0 GHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CCc1nc(-c2cccnc2)no1 ZINC000106041033 837664496 /nfs/dbraw/zinc/66/44/96/837664496.db2.gz TUISPPHCNXVVQK-INIZCTEOSA-N 0 0 376.460 3.892 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1Cc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000156576696 834439260 /nfs/dbraw/zinc/43/92/60/834439260.db2.gz DZFMFMALJXHUPJ-GOSISDBHSA-N 0 0 389.503 3.533 10 0 GHAERN O=C(c1ccncc1Br)N1CCC(Nc2ccccc2F)CC1 ZINC000157015313 834708389 /nfs/dbraw/zinc/70/83/89/834708389.db2.gz XSEHKMUXIIWYSM-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3nc4ccccc4s3)CC2)nc1 ZINC000157911581 835154334 /nfs/dbraw/zinc/15/43/34/835154334.db2.gz VKNAZPBVJZQTHY-UHFFFAOYSA-N 0 0 380.517 3.718 10 0 GHAERN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)NCc1cscn1 ZINC000101609245 835388629 /nfs/dbraw/zinc/38/86/29/835388629.db2.gz INAUOPZBHWDICK-AWEZNQCLSA-N 0 0 396.310 3.961 10 0 GHAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000158548732 835423027 /nfs/dbraw/zinc/42/30/27/835423027.db2.gz IRZQUFMRAGKVNQ-GOSISDBHSA-N 0 0 398.898 3.786 10 0 GHAERN Cn1cnc2cc(C(=O)N[C@H](c3cccc(Cl)c3)c3ccccn3)cnc21 ZINC000158560149 835435099 /nfs/dbraw/zinc/43/50/99/835435099.db2.gz ULSCBSZLQJHFDW-GOSISDBHSA-N 0 0 377.835 3.536 10 0 GHAERN NC(=O)c1cc([C@@H]2CCCN(C(=O)c3ccc(C4CCCCC4)cc3)C2)n[nH]1 ZINC000329662464 835558500 /nfs/dbraw/zinc/55/85/00/835558500.db2.gz OVBRYGPEZUEPGE-GOSISDBHSA-N 0 0 380.492 3.576 10 0 GHAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329684647 835677619 /nfs/dbraw/zinc/67/76/19/835677619.db2.gz YDRUCVSMXZAUHP-LLVKDONJSA-N 0 0 390.365 3.702 10 0 GHAERN CC(C)C(=O)NC[C@H]1CCCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000101976895 835754132 /nfs/dbraw/zinc/75/41/32/835754132.db2.gz UASWFYQHZKKCSX-XLIONFOSSA-N 0 0 383.492 3.563 10 0 GHAERN COc1cccc(CNC(=O)N(C)CCCc2cc(-c3ccccc3)no2)n1 ZINC000102014025 835775522 /nfs/dbraw/zinc/77/55/22/835775522.db2.gz PLGBVKVWCWMIBC-UHFFFAOYSA-N 0 0 380.448 3.519 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2cc3cc(Br)cc(C)c3o2)C[C@@H]1C ZINC000188048999 835817634 /nfs/dbraw/zinc/81/76/34/835817634.db2.gz SKDOFQRJXDEMQX-FZMZJTMJSA-N 0 0 394.265 3.775 10 0 GHAERN Brc1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000329739001 835821834 /nfs/dbraw/zinc/82/18/34/835821834.db2.gz UQQMIRQDEKPSGN-UGUYLWEFSA-N 0 0 390.281 3.639 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)NC3CCC(C(F)(F)F)CC3)c2)C[C@@H](C)O1 ZINC000333168758 844097993 /nfs/dbraw/zinc/09/79/93/844097993.db2.gz JUGWVSKYJJRKAV-LMRVLLHPSA-N 0 0 385.430 3.546 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(Br)c1 ZINC000246151493 835970640 /nfs/dbraw/zinc/97/06/40/835970640.db2.gz QHKORWFVKRIQFX-DANNLKNASA-N 0 0 379.298 3.767 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccc(Br)s1)C2 ZINC000112744173 836279123 /nfs/dbraw/zinc/27/91/23/836279123.db2.gz NKNPUXNZRJFZSD-UHFFFAOYSA-N 0 0 397.342 3.635 10 0 GHAERN O=C(NC/C=C/c1ccc(Br)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333187036 844164988 /nfs/dbraw/zinc/16/49/88/844164988.db2.gz NCZIEAXYKCZRGB-LUODXLFYSA-N 0 0 393.325 3.799 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000332734437 836510431 /nfs/dbraw/zinc/51/04/31/836510431.db2.gz ZPQZFHYCWCZWDP-YZGWKJHDSA-N 0 0 386.536 3.567 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1 ZINC000275295072 836607222 /nfs/dbraw/zinc/60/72/22/836607222.db2.gz BEJQLAUUWHJPNP-QILLFSRXSA-N 0 0 386.496 3.555 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000113202495 836608287 /nfs/dbraw/zinc/60/82/87/836608287.db2.gz UNCORWCUZGVOTP-RDJZCZTQSA-N 0 0 391.581 3.887 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000102540023 837152318 /nfs/dbraw/zinc/15/23/18/837152318.db2.gz WWLVCSJNLHJYIG-UHFFFAOYSA-N 0 0 379.464 3.677 10 0 GHAERN CCn1c2cccc(F)c2nc1CN1CCC(C(=O)N2CCCCCC2)CC1 ZINC000103139222 837256485 /nfs/dbraw/zinc/25/64/85/837256485.db2.gz TYTXJAUXEJWBFP-UHFFFAOYSA-N 0 0 386.515 3.810 10 0 GHAERN O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103315380 837302312 /nfs/dbraw/zinc/30/23/12/837302312.db2.gz CQPSLCLSAVVWKE-OAQYLSRUSA-N 0 0 386.455 3.885 10 0 GHAERN O=C(Nc1ccc(N2CCOC2=O)cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103315690 837303603 /nfs/dbraw/zinc/30/36/03/837303603.db2.gz JGHMOAYOLIXXSP-HXUWFJFHSA-N 0 0 388.427 3.949 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2Br)[nH]1 ZINC000407980896 838374725 /nfs/dbraw/zinc/37/47/25/838374725.db2.gz PMMFIZPBNOEPMA-CQSZACIVSA-N 0 0 377.286 3.860 10 0 GHAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408063463 838553909 /nfs/dbraw/zinc/55/39/09/838553909.db2.gz IWJSTIBUBZTXLY-DAXOMENPSA-N 0 0 397.302 3.867 10 0 GHAERN O=C(/C=C\c1ccncn1)O[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000588539557 838572055 /nfs/dbraw/zinc/57/20/55/838572055.db2.gz JLAUFWWRRMXRBC-ZCPJJFRWSA-N 0 0 384.395 3.873 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H](C)c3ccc(Cl)s3)C2)n1 ZINC000117032331 839539017 /nfs/dbraw/zinc/53/90/17/839539017.db2.gz FHZDTEDBPIAORZ-BXUZGUMPSA-N 0 0 381.933 3.793 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)cs1 ZINC000330226051 840223963 /nfs/dbraw/zinc/22/39/63/840223963.db2.gz UGCXXEKYWZHUBO-IBGZPJMESA-N 0 0 381.505 3.555 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121052191 840427168 /nfs/dbraw/zinc/42/71/68/840427168.db2.gz DJSFVPDCMDWLPR-XQCUEUFKSA-N 0 0 392.368 3.903 10 0 GHAERN O=C(/C=C\c1ccncn1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000588394520 840442636 /nfs/dbraw/zinc/44/26/36/840442636.db2.gz XQSNRLSHIKONBJ-AIMAZDRCSA-N 0 0 382.222 3.536 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc(Br)cc3)C2)c1 ZINC000106225120 840805523 /nfs/dbraw/zinc/80/55/23/840805523.db2.gz LSBLKPGNDVRBAI-WMLDXEAASA-N 0 0 391.313 3.618 10 0 GHAERN O=C(/C=C\c1ccncn1)N(Cc1ccccn1)c1ccc(Br)cc1 ZINC000588403081 840890653 /nfs/dbraw/zinc/89/06/53/840890653.db2.gz QGQDVRXZOIHJLC-TWGQIWQCSA-N 0 0 395.260 3.881 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(Br)cc1Br ZINC000588403153 840898197 /nfs/dbraw/zinc/89/81/97/840898197.db2.gz OKHAXUUWGQYWBY-RQOWECAXSA-N 0 0 383.043 3.654 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000106368682 840929243 /nfs/dbraw/zinc/92/92/43/840929243.db2.gz IZYAZBOWUQSVDY-HNNXBMFYSA-N 0 0 388.320 3.870 10 0 GHAERN COc1ccccc1[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000332852086 844594280 /nfs/dbraw/zinc/59/42/80/844594280.db2.gz LJVMMQKXXPRWHY-ISARSNTHSA-N 0 0 380.492 3.500 10 0 GHAERN O=C(NCc1cc(F)cc(Br)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408129200 841072796 /nfs/dbraw/zinc/07/27/96/841072796.db2.gz XUWDVDZXZHONJF-GVDBMIGSSA-N 0 0 399.304 3.813 10 0 GHAERN O=C(c1cc2ccc(Br)cc2[nH]1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000119641004 841159020 /nfs/dbraw/zinc/15/90/20/841159020.db2.gz BPKXMYZHEHXZCH-SCLBCKFNSA-N 0 0 377.282 3.698 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OCCC(C)C)cc2)C1 ZINC000190132602 841296836 /nfs/dbraw/zinc/29/68/36/841296836.db2.gz RCJMYWCQXLONEV-QZTJIDSGSA-N 0 0 388.468 3.797 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123578683 841395194 /nfs/dbraw/zinc/39/51/94/841395194.db2.gz MUIROWDUVHSMIG-HXUWFJFHSA-N 0 0 398.528 3.670 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000120151019 841435424 /nfs/dbraw/zinc/43/54/24/841435424.db2.gz BOFOYBYRBSYAHN-HZPDHXFCSA-N 0 0 381.929 3.934 10 0 GHAERN CCNC(=O)c1cccc(NC(=O)c2ccccc2SCc2nc(C)no2)c1 ZINC000105594569 841624695 /nfs/dbraw/zinc/62/46/95/841624695.db2.gz CDSIMHVKCFXMHE-UHFFFAOYSA-N 0 0 396.472 3.672 10 0 GHAERN Cc1ccc(N(C)C2CCN(C(=O)Cc3coc4cc(C)c(C)cc34)CC2)nn1 ZINC000329283505 861245572 /nfs/dbraw/zinc/24/55/72/861245572.db2.gz FRYFTLSJRJVPLE-UHFFFAOYSA-N 0 0 392.503 3.818 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)c1nccs1 ZINC000111614139 842125161 /nfs/dbraw/zinc/12/51/61/842125161.db2.gz NPBWQFNMFLKAQP-BEFAXECRSA-N 0 0 391.496 3.588 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)CC2 ZINC000247392466 842135690 /nfs/dbraw/zinc/13/56/90/842135690.db2.gz QHLSNLMJGSDIDY-PMPSAXMXSA-N 0 0 392.425 3.655 10 0 GHAERN Cc1ccc(NC(=O)/C=C\c2cnc3ccccc3n2)cc1-c1nnnn1C1CC1 ZINC000588427978 842206330 /nfs/dbraw/zinc/20/63/30/842206330.db2.gz QHSGTSMSZWKJGV-FLIBITNWSA-N 0 0 397.442 3.579 10 0 GHAERN C[C@H]1CC(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000094062740 842420622 /nfs/dbraw/zinc/42/06/22/842420622.db2.gz SNPFDJILBNYSFD-GJZGRUSLSA-N 0 0 393.915 3.610 10 0 GHAERN Cc1cc(=O)n(C)cc1NC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000161947623 843175668 /nfs/dbraw/zinc/17/56/68/843175668.db2.gz LVAUSLZQIUYGOF-UHFFFAOYSA-N 0 0 380.423 3.635 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1 ZINC000330263687 843181153 /nfs/dbraw/zinc/18/11/53/843181153.db2.gz WWPHZSCGFOBPEM-OXJNMPFZSA-N 0 0 384.501 3.526 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491354 843264714 /nfs/dbraw/zinc/26/47/14/843264714.db2.gz VYIUWAHYXGEYGM-VLIAUNLRSA-N 0 0 390.491 3.837 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492659 843265393 /nfs/dbraw/zinc/26/53/93/843265393.db2.gz HYOZPKIDGCAXOA-KUHUBIRLSA-N 0 0 377.448 3.510 10 0 GHAERN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162561641 843275365 /nfs/dbraw/zinc/27/53/65/843275365.db2.gz BYMDCCFIEMKZFN-UHFFFAOYSA-N 0 0 397.910 3.663 10 0 GHAERN COc1ccc(NC(=O)c2cccc(NC(=O)/C=C\c3ncccc3C)c2)cn1 ZINC000588452618 843310892 /nfs/dbraw/zinc/31/08/92/843310892.db2.gz XPFDULALKGACBR-KTKRTIGZSA-N 0 0 388.427 3.698 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000588454470 843344433 /nfs/dbraw/zinc/34/44/33/843344433.db2.gz QJOQKIGSGKOYKQ-CFYYFVFUSA-N 0 0 375.266 3.749 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)n1 ZINC000112283895 843351727 /nfs/dbraw/zinc/35/17/27/843351727.db2.gz JKYHLNIQVZUHAS-QZTJIDSGSA-N 0 0 389.565 3.586 10 0 GHAERN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112352331 843352602 /nfs/dbraw/zinc/35/26/02/843352602.db2.gz WDZMTRVTPXFAOM-QGZVFWFLSA-N 0 0 385.533 3.540 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000408395546 843470416 /nfs/dbraw/zinc/47/04/16/843470416.db2.gz NKKVVDUEOJGFOT-IRXDYDNUSA-N 0 0 375.423 3.636 10 0 GHAERN O=C(c1cc2c(cc(Br)cc2F)[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121743360 843484960 /nfs/dbraw/zinc/48/49/60/843484960.db2.gz JFCRCNNYOKRPRT-VOJFVSQTSA-N 0 0 395.272 3.837 10 0 GHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)o1 ZINC000408238730 843516753 /nfs/dbraw/zinc/51/67/53/843516753.db2.gz VYDIOUINSAKPLI-MRXNPFEDSA-N 0 0 392.452 3.528 10 0 GHAERN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408244395 843556637 /nfs/dbraw/zinc/55/66/37/843556637.db2.gz CXPIUENSAVDPMV-QGZVFWFLSA-N 0 0 395.937 3.576 10 0 GHAERN C[C@@H]1CC(CNC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)C[C@@H](C)O1 ZINC000408257147 843620925 /nfs/dbraw/zinc/62/09/25/843620925.db2.gz QRFQDVONKQXOPF-VFVRVIDISA-N 0 0 384.879 3.766 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(c3ncnc4sc5ccccc5c43)CCO2)n1 ZINC000333328767 844731301 /nfs/dbraw/zinc/73/13/01/844731301.db2.gz QUXHOISGHSBYSW-HNNXBMFYSA-N 0 0 379.489 3.563 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1 ZINC000333343106 844872068 /nfs/dbraw/zinc/87/20/68/844872068.db2.gz UCTCOAXXPHPMLN-IPELMVKDSA-N 0 0 378.538 3.622 10 0 GHAERN O=C(Oc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151625443 845341279 /nfs/dbraw/zinc/34/12/79/845341279.db2.gz ZRZBKNXDXRGKEV-UHFFFAOYSA-N 0 0 378.350 3.558 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N[C@H](c2ccco2)c2ccccc2OC)cc1 ZINC000163765193 845411555 /nfs/dbraw/zinc/41/15/55/845411555.db2.gz IRQPKURSRJWDDI-FZNBYNMYSA-N 0 0 390.439 3.567 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCO2)o1 ZINC000151674857 845466276 /nfs/dbraw/zinc/46/62/76/845466276.db2.gz ZJXBOMJOLXYYTI-GOSISDBHSA-N 0 0 398.440 3.654 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)N[C@H]2CCCN(c3ccnn3C)C2)o1 ZINC000408446687 845495218 /nfs/dbraw/zinc/49/52/18/845495218.db2.gz OXBOSFAXUPLBST-ZWKOTPCHSA-N 0 0 385.512 3.617 10 0 GHAERN COc1ccc(N=c2scc(-c3c(C)noc3C)n2Cc2cscn2)cn1 ZINC000588497123 846153233 /nfs/dbraw/zinc/15/32/33/846153233.db2.gz UWOZGTKXDLCUDW-UHFFFAOYSA-N 0 0 399.501 3.962 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000119743493 846861557 /nfs/dbraw/zinc/86/15/57/846861557.db2.gz PUMPADFHGSYXJG-SBDDDAINSA-N 0 0 399.480 3.673 10 0 GHAERN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C\c1ccnc2ccccc12 ZINC000588513154 846900906 /nfs/dbraw/zinc/90/09/06/846900906.db2.gz DSMQYACELIUWTQ-YRBAHSOBSA-N 0 0 399.450 3.630 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000333623969 847275658 /nfs/dbraw/zinc/27/56/58/847275658.db2.gz GTQIQYNRJBDHAY-GOSISDBHSA-N 0 0 385.851 3.859 10 0 GHAERN Cc1cc(F)cc(-n2nc(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c1 ZINC000333635576 847675541 /nfs/dbraw/zinc/67/55/41/847675541.db2.gz WMYSOJLXVNPQMV-WAIKUNEKSA-N 0 0 397.494 3.576 10 0 GHAERN C[C@@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000152918632 847903420 /nfs/dbraw/zinc/90/34/20/847903420.db2.gz CPVBIEDXVLSHFO-OXJNMPFZSA-N 0 0 381.476 3.526 10 0 GHAERN COc1cnccc1[C@@H](C)NS(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000588544712 848177771 /nfs/dbraw/zinc/17/77/71/848177771.db2.gz DJHXFVYEBITSJW-ZVTBTPLYSA-N 0 0 397.294 3.504 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)Nc2cc(Cl)ccc2OCC2CCC2)c1 ZINC000588557002 848571974 /nfs/dbraw/zinc/57/19/74/848571974.db2.gz OJQODOYGKLQRRU-YVMONPNESA-N 0 0 399.878 3.925 10 0 GHAERN COCCOc1c(Cl)cccc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1 ZINC000153763571 848990874 /nfs/dbraw/zinc/99/08/74/848990874.db2.gz ZJRTUVHBCMYBQK-KRWDZBQOSA-N 0 0 394.855 3.872 10 0 GHAERN CC(=O)Nc1nc2ccc(NC(=O)c3c(C)onc3-c3ccccn3)cc2s1 ZINC000153974714 849152563 /nfs/dbraw/zinc/15/25/63/849152563.db2.gz WMGIAGWJSKJGQY-UHFFFAOYSA-N 0 0 393.428 3.865 10 0 GHAERN Cc1csc2nc(C[S@](=O)[C@H](C)c3ncc(-c4ccccc4)o3)cc(=O)n12 ZINC000155664012 849584334 /nfs/dbraw/zinc/58/43/34/849584334.db2.gz UMGOOAFQLOZRKT-PFUSGODGSA-N 0 0 399.497 3.729 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333833800 851241494 /nfs/dbraw/zinc/24/14/94/851241494.db2.gz LZOQGARXSKDGQO-ZVWZMEFVSA-N 0 0 386.540 3.544 10 0 GHAERN C[C@H](Sc1ccc(Br)cc1)c1nc([C@@H]2CC(=O)N(C)C2)no1 ZINC000329734080 862274767 /nfs/dbraw/zinc/27/47/67/862274767.db2.gz RCSYTZWPNVOQQP-VHSXEESVSA-N 0 0 382.283 3.631 10 0 GHAERN O=C(CSCC(=O)Nc1ccc(F)cc1)NCc1ccc(F)c(Cl)c1 ZINC000101682840 851816718 /nfs/dbraw/zinc/81/67/18/851816718.db2.gz HKRBLPKONMNGCQ-UHFFFAOYSA-N 0 0 384.835 3.606 10 0 GHAERN CCc1nc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)nn1-c1ccccc1 ZINC000329781687 862317760 /nfs/dbraw/zinc/31/77/60/862317760.db2.gz SYLFTKSHPMPEQP-HNNXBMFYSA-N 0 0 381.505 3.614 10 0 GHAERN O=c1nc(Cc2noc([C@H]3CCCSC3)n2)[nH]c2sc3c(c21)CCCC3 ZINC000329785023 862320746 /nfs/dbraw/zinc/32/07/46/862320746.db2.gz PSQVZQRSLCUEBQ-JTQLQIEISA-N 0 0 388.518 3.860 10 0 GHAERN Cc1nc([C@H]2CCCN2c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C)cs1 ZINC000329850354 862372223 /nfs/dbraw/zinc/37/22/23/862372223.db2.gz QEWZRBAZZOKGAW-IMJJTQAJSA-N 0 0 375.542 3.840 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCSC[C@H]1c1nccs1 ZINC000329950023 862448896 /nfs/dbraw/zinc/44/88/96/862448896.db2.gz HPKOXQZDAPYEPF-JSGCOSHPSA-N 0 0 391.543 3.912 10 0 GHAERN Cn1nccc1C1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000157072009 853440538 /nfs/dbraw/zinc/44/05/38/853440538.db2.gz JZNAVQPKSDARDR-UHFFFAOYSA-N 0 0 382.508 3.831 10 0 GHAERN COc1ccc(OC)c(-n2nnnc2SCc2csc(C(C)(C)C)n2)c1 ZINC000102208738 854212147 /nfs/dbraw/zinc/21/21/47/854212147.db2.gz JQHHOSJBYLHYTF-UHFFFAOYSA-N 0 0 391.522 3.726 10 0 GHAERN CSc1ccc(Cl)cc1NC(=O)N1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000171891893 854265252 /nfs/dbraw/zinc/26/52/52/854265252.db2.gz SWYGIYFAOGDWMR-HNNXBMFYSA-N 0 0 394.928 3.808 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[nH]1 ZINC000328663830 854494815 /nfs/dbraw/zinc/49/48/15/854494815.db2.gz BFWKOXPRCKIZSM-OAGGEKHMSA-N 0 0 378.398 3.989 10 0 GHAERN CO[C@H](C)c1nc(C)c(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)s1 ZINC000328666738 854496445 /nfs/dbraw/zinc/49/64/45/854496445.db2.gz CZZKNSFXHLKWHK-DOMZBBRYSA-N 0 0 379.913 3.599 10 0 GHAERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000328710939 854517863 /nfs/dbraw/zinc/51/78/63/854517863.db2.gz RDYPLHVOLKCXDL-BWMCOSIFSA-N 0 0 396.516 3.810 10 0 GHAERN C[C@@H](C(=O)N(C)C1CCCCC1)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685491 855131759 /nfs/dbraw/zinc/13/17/59/855131759.db2.gz AZNJEEUTKYOWEY-PGGUUEOZSA-N 0 0 392.496 3.909 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)CC(=O)N[C@@H](C)CCCC(C)C)n2)c1 ZINC000105689597 855131797 /nfs/dbraw/zinc/13/17/97/855131797.db2.gz XSGVUFQATNEEIH-RKOGDMNLSA-N 0 0 391.537 3.625 10 0 GHAERN Cc1cccc(C(C)C)c1NC(=O)C[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711918 855135893 /nfs/dbraw/zinc/13/58/93/855135893.db2.gz HBCDIBUWKAATDR-MHZLTWQESA-N 0 0 387.461 3.649 10 0 GHAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000330186655 862644747 /nfs/dbraw/zinc/64/47/47/862644747.db2.gz JWVRKWGULHKVIU-RTBURBONSA-N 0 0 398.956 3.502 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1 ZINC000105972966 855159468 /nfs/dbraw/zinc/15/94/68/855159468.db2.gz GKDMBPIDOXWOJE-KSSFIOAISA-N 0 0 392.434 3.917 10 0 GHAERN O=C(c1ccc(Br)cc1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000029246833 856031180 /nfs/dbraw/zinc/03/11/80/856031180.db2.gz IKVKLPIVLVLHQW-HNNXBMFYSA-N 0 0 389.297 3.744 10 0 GHAERN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nccs2)C1 ZINC000195343316 856225619 /nfs/dbraw/zinc/22/56/19/856225619.db2.gz XZILWEGQVBNNON-CABCVRRESA-N 0 0 387.505 3.511 10 0 GHAERN CC[C@H](O)CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104101370 856309992 /nfs/dbraw/zinc/30/99/92/856309992.db2.gz VUVVQJQSSCMVHT-FPOVZHCZSA-N 0 0 395.528 3.626 10 0 GHAERN COc1cccc([C@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000042009878 856340731 /nfs/dbraw/zinc/34/07/31/856340731.db2.gz DDPYFQFDXMBYSZ-OAQYLSRUSA-N 0 0 378.472 3.795 10 0 GHAERN O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC[C@@H](O)Cc1ccccc1 ZINC000104910940 856447068 /nfs/dbraw/zinc/44/70/68/856447068.db2.gz IVKLWPMOPPOXKI-AWEZNQCLSA-N 0 0 392.933 3.787 10 0 GHAERN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000104912861 856447146 /nfs/dbraw/zinc/44/71/46/856447146.db2.gz JLQNHWNFZBMWEZ-AWEZNQCLSA-N 0 0 388.826 3.776 10 0 GHAERN CN[C@]12C(=O)N(C3CCCCC3)C[C@]1(Cc1ccccc1)c1ccccc1N2C ZINC000048520847 856467533 /nfs/dbraw/zinc/46/75/33/856467533.db2.gz JLKYNRTWWRVALD-RPBOFIJWSA-N 0 0 389.543 3.708 10 0 GHAERN Cc1ccc(NC(=O)CSc2ccccc2C(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000105599260 856878328 /nfs/dbraw/zinc/87/83/28/856878328.db2.gz PJOOTQBEGVRGRW-GOSISDBHSA-N 0 0 398.528 3.977 10 0 GHAERN O=C(CSc1ccncc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219132 857014306 /nfs/dbraw/zinc/01/43/06/857014306.db2.gz CNQJPVFXLWMGPH-KRWDZBQOSA-N 0 0 378.501 3.970 10 0 GHAERN Cc1cccnc1[C@@H](NC(=O)N1CCN(c2nc3ccccc3o2)CC1)C(C)C ZINC000172381021 857344748 /nfs/dbraw/zinc/34/47/48/857344748.db2.gz HRQJPTRRXDWLBB-IBGZPJMESA-N 0 0 393.491 3.760 10 0 GHAERN Cc1csc(-c2cccc(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)c2)n1 ZINC000156680931 857794555 /nfs/dbraw/zinc/79/45/55/857794555.db2.gz JEACXDIRPNOCCX-MRXNPFEDSA-N 0 0 381.505 3.578 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CCC(c2cc[nH]n2)CC1 ZINC000158823376 858290166 /nfs/dbraw/zinc/29/01/66/858290166.db2.gz BSSJKVVPSARNBN-QGZVFWFLSA-N 0 0 389.297 3.749 10 0 GHAERN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)C(=O)[C@H](C)CC)CC1 ZINC000012053839 858726044 /nfs/dbraw/zinc/72/60/44/858726044.db2.gz KFGKAOYBIGYILC-OAHLLOKOSA-N 0 0 393.911 3.670 10 0 GHAERN Cc1c(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000027850466 858735224 /nfs/dbraw/zinc/73/52/24/858735224.db2.gz HAFUEFKEBSUXPL-WDEREUQCSA-N 0 0 399.438 3.564 10 0 GHAERN Cc1ccc2[nH]c3c(c2c1)C[C@H](N1C(=O)[C@@H]2C[C@@H]4CCCC[C@@H]4N2C1=O)CC3 ZINC000330353530 863059244 /nfs/dbraw/zinc/05/92/44/863059244.db2.gz OOKNNQYCBTUXMH-YQMDMEMYSA-N 0 0 377.488 3.929 10 0 GHAERN COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCCC2(C1)CCCCCC2 ZINC000134772366 859493596 /nfs/dbraw/zinc/49/35/96/859493596.db2.gz SJPPYYRTYBKCRH-UHFFFAOYSA-N 0 0 379.522 3.675 10 0 GHAERN CC(C)(C)c1nsc(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 ZINC000272565771 859954723 /nfs/dbraw/zinc/95/47/23/859954723.db2.gz QEHQYBNPFVMBJG-LBPRGKRZSA-N 0 0 389.529 3.523 10 0 GHAERN O=C(N[C@H]1CCCn2ncnc21)N1CCC(c2cccc3ccccc32)CC1 ZINC000267766159 860408898 /nfs/dbraw/zinc/40/88/98/860408898.db2.gz RUBOXVKUXQGTKE-FQEVSTJZSA-N 0 0 375.476 3.855 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCc2cccc(Br)c2)C1 ZINC000172456236 860433218 /nfs/dbraw/zinc/43/32/18/860433218.db2.gz HPOLGHNFWFSUJB-MRXNPFEDSA-N 0 0 391.313 3.755 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3Cc3ccc(C)cc3)C2)n1 ZINC000173064334 860629688 /nfs/dbraw/zinc/62/96/88/860629688.db2.gz FECCQGYIOAICIQ-RTBURBONSA-N 0 0 397.544 3.657 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)n1 ZINC000102558934 860773330 /nfs/dbraw/zinc/77/33/30/860773330.db2.gz OAOHSQIJKWLRSJ-MRXNPFEDSA-N 0 0 395.438 3.668 10 0 GHAERN CCc1nnc([C@@H]2CN(C(=O)CC3CCC(c4ccccc4)CC3)CCO2)[nH]1 ZINC000173097277 860804099 /nfs/dbraw/zinc/80/40/99/860804099.db2.gz IVURZUHBIJVTDY-KVZIAJEVSA-N 0 0 382.508 3.631 10 0 GHAERN O=C(C[S@](=O)Cc1csc(-c2ccccc2F)n1)Nc1ccccc1F ZINC000102948013 860913560 /nfs/dbraw/zinc/91/35/60/860913560.db2.gz IHTBDCGJKKISOY-SANMLTNESA-N 0 0 392.452 3.976 10 0 GHAERN O=C(Nc1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102952557 860917568 /nfs/dbraw/zinc/91/75/68/860917568.db2.gz WMAVGMUDNRUYIS-GOSISDBHSA-N 0 0 376.416 3.970 10 0 GHAERN Cc1ccc(-c2noc([C@@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)n2)cc1F ZINC000329020959 860952154 /nfs/dbraw/zinc/95/21/54/860952154.db2.gz HVNSFSYZYMNMGT-DOMZBBRYSA-N 0 0 383.427 3.995 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000329080102 861001432 /nfs/dbraw/zinc/00/14/32/861001432.db2.gz CKOKBOQGIMFHHO-HOTGVXAUSA-N 0 0 377.554 3.790 10 0 GHAERN O=C(c1ccc2c(n1)CCCC2)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000329137821 861057124 /nfs/dbraw/zinc/05/71/24/861057124.db2.gz HTGIBKYXGXBMBO-KUHUBIRLSA-N 0 0 390.405 3.927 10 0 GHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000329191030 861121719 /nfs/dbraw/zinc/12/17/19/861121719.db2.gz RGNNYEASJNVAAN-MRXNPFEDSA-N 0 0 381.505 3.804 10 0 GHAERN CN(C(=O)N[C@H]1c2ccccc2CCC1(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000153034660 863132784 /nfs/dbraw/zinc/13/27/84/863132784.db2.gz MANCJNJBMDATSG-RXVVDRJESA-N 0 0 393.535 3.801 10 0 GHAERN C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)Cc2nc3c(s2)CCCC3)CC1=O ZINC000176852300 863227148 /nfs/dbraw/zinc/22/71/48/863227148.db2.gz OFSBYXFIZOMYQC-DOTOQJQBSA-N 0 0 397.544 3.590 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CCCNC(=O)NC3CCCCC3)c21 ZINC000103128892 863926436 /nfs/dbraw/zinc/92/64/36/863926436.db2.gz URFULLVLOFGGBR-UHFFFAOYSA-N 0 0 384.524 3.547 10 0 GHAERN COc1cccc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n1 ZINC000103312228 863954122 /nfs/dbraw/zinc/95/41/22/863954122.db2.gz UGVRCGFBGFPHFC-UHFFFAOYSA-N 0 0 390.281 3.731 10 0 GHAERN O=C(CN1CCO[C@H](c2ccccc2Cl)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000103490291 864036939 /nfs/dbraw/zinc/03/69/39/864036939.db2.gz FLVRFRSXDXROHR-BBRMVZONSA-N 0 0 390.833 3.514 10 0 GHAERN CC(C)c1noc([C@@H](NC(=O)[C@H]2CCCc3sccc32)C2CCOCC2)n1 ZINC000333004708 864072602 /nfs/dbraw/zinc/07/26/02/864072602.db2.gz PEPFTLNUUQCCDK-RDJZCZTQSA-N 0 0 389.521 3.959 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103735003 864075033 /nfs/dbraw/zinc/07/50/33/864075033.db2.gz VFQSNXSROQJTOI-UHFFFAOYSA-N 0 0 382.836 3.692 10 0 GHAERN C[C@@H]1[C@H](C)SCCN1C(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000128867280 864501870 /nfs/dbraw/zinc/50/18/70/864501870.db2.gz RXBXTGQVIXYZRO-ZJUUUORDSA-N 0 0 386.308 3.932 10 0 GHAERN O=C(c1ccc2ccccc2n1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678251 881865008 /nfs/dbraw/zinc/86/50/08/881865008.db2.gz WKLCNWORBZKGGC-UHFFFAOYSA-N 0 0 384.439 3.862 10 0 GHAERN COc1cc(C2(C(=O)N3CCC[C@@H](Cc4noc(C)n4)C3)CCCC2)ccc1C ZINC000108172370 866506674 /nfs/dbraw/zinc/50/66/74/866506674.db2.gz GWIWPMAPCPZWJU-SFHVURJKSA-N 0 0 397.519 3.988 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 ZINC000114571772 866768184 /nfs/dbraw/zinc/76/81/84/866768184.db2.gz LIHVEABOFMNJAE-WOJBJXKFSA-N 0 0 398.507 3.964 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1cccnc1)c1cccc(CN2CCCC2=O)c1 ZINC000171225586 882089805 /nfs/dbraw/zinc/08/98/05/882089805.db2.gz KVVQUYUVDFEXEW-HSZRJFAPSA-N 0 0 385.467 3.723 10 0 GHAERN Cc1sc2ncnc(SCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c2c1C ZINC000151452052 867514475 /nfs/dbraw/zinc/51/44/75/867514475.db2.gz IYGNZIHQRJPHHE-LIRRHRJNSA-N 0 0 391.562 3.554 10 0 GHAERN COc1ccc2sc(C(=O)N3CCO[C@H](Cn4nc(C)cc4C)C3)c(C)c2c1 ZINC000173655550 867560477 /nfs/dbraw/zinc/56/04/77/867560477.db2.gz PVXISTRUOUPAAX-KRWDZBQOSA-N 0 0 399.516 3.573 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000171645573 882120176 /nfs/dbraw/zinc/12/01/76/882120176.db2.gz IHGVASZZROODLM-RDJZCZTQSA-N 0 0 391.924 3.770 10 0 GHAERN CN(Cc1ccc(F)cc1Cl)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000171543921 882141546 /nfs/dbraw/zinc/14/15/46/882141546.db2.gz UIJPFJVMIYFMMV-OAHLLOKOSA-N 0 0 375.831 3.747 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171610720 882146028 /nfs/dbraw/zinc/14/60/28/882146028.db2.gz GHTHYYFARXAVLY-HSZRJFAPSA-N 0 0 389.499 3.827 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171900311 882148305 /nfs/dbraw/zinc/14/83/05/882148305.db2.gz VBPPHZVMLFEVQF-INIZCTEOSA-N 0 0 380.492 3.765 10 0 GHAERN COc1cc(CNC(=O)N2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000172222749 882188792 /nfs/dbraw/zinc/18/87/92/882188792.db2.gz FWUCAHWLAQRVJJ-UHFFFAOYSA-N 0 0 388.489 3.773 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCCC1)N1CCC[C@H](c2nccs2)C1 ZINC000172212920 882186986 /nfs/dbraw/zinc/18/69/86/882186986.db2.gz YXGBTLQBHWDWPB-HNNXBMFYSA-N 0 0 384.505 3.791 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)c1 ZINC000172214820 882188660 /nfs/dbraw/zinc/18/86/60/882188660.db2.gz MAJUPMQGARBUCT-HNNXBMFYSA-N 0 0 375.494 3.888 10 0 GHAERN O=C(Nc1cccc(OC2CCCC2)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000172457568 882277637 /nfs/dbraw/zinc/27/76/37/882277637.db2.gz HFWZOODLZZYJRF-UHFFFAOYSA-N 0 0 398.507 3.608 10 0 GHAERN O=C(NC1(c2cccc(F)c2)CC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172463250 882278601 /nfs/dbraw/zinc/27/86/01/882278601.db2.gz LAEURUDFENIOJP-UHFFFAOYSA-N 0 0 384.426 3.623 10 0 GHAERN O=C(Nc1cccc(-c2ncc[nH]2)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172514661 882293146 /nfs/dbraw/zinc/29/31/46/882293146.db2.gz ASFSSFOCIRIIQZ-UHFFFAOYSA-N 0 0 380.473 3.629 10 0 GHAERN NC(=O)c1ccc(NCC(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000172700171 882287081 /nfs/dbraw/zinc/28/70/81/882287081.db2.gz FZAYRKYNPHWEFJ-IBGZPJMESA-N 0 0 399.903 3.818 10 0 GHAERN Cc1cc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)ccc1NC(=O)c1ccco1 ZINC000172476971 882288238 /nfs/dbraw/zinc/28/82/38/882288238.db2.gz MAAVCRORXBGSSS-ICSRJNTNSA-N 0 0 391.427 3.620 10 0 GHAERN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)NCc2cccnc2-n2cncn2)cc1 ZINC000172540395 882294309 /nfs/dbraw/zinc/29/43/09/882294309.db2.gz SYZKOKBCLMMAKN-FXAWDEMLSA-N 0 0 390.491 3.654 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172830883 882311990 /nfs/dbraw/zinc/31/19/90/882311990.db2.gz MDUKNPJLACQIDS-MRXNPFEDSA-N 0 0 391.471 3.866 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc(F)cc1F)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000172984796 882327348 /nfs/dbraw/zinc/32/73/48/882327348.db2.gz HCHDAGTYEBMXAU-MSOLQXFVSA-N 0 0 398.409 3.610 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000173948000 869833763 /nfs/dbraw/zinc/83/37/63/869833763.db2.gz FGIOLTQDWMRAAF-MRXNPFEDSA-N 0 0 386.517 3.986 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cc2)CCO1 ZINC000173413139 882360170 /nfs/dbraw/zinc/36/01/70/882360170.db2.gz ZMNJNFXNXWZEOX-HOTGVXAUSA-N 0 0 386.521 3.780 10 0 GHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173729223 882369314 /nfs/dbraw/zinc/36/93/14/882369314.db2.gz OEHXVDCPSDCPPA-QAPCUYQASA-N 0 0 383.496 3.530 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)s2)c1 ZINC000186067650 870225567 /nfs/dbraw/zinc/22/55/67/870225567.db2.gz GXSKYIDIETZMRM-JXFKEZNVSA-N 0 0 386.521 3.981 10 0 GHAERN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000047217480 870461498 /nfs/dbraw/zinc/46/14/98/870461498.db2.gz HTKPVAROJXKMHM-IRXDYDNUSA-N 0 0 390.281 3.623 10 0 GHAERN COc1ccc(OCCCC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000102383111 882416150 /nfs/dbraw/zinc/41/61/50/882416150.db2.gz CQAHRDDNDHJLEK-SFHVURJKSA-N 0 0 398.503 3.506 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)[C@@]3(C)CCCc4ccccc43)C2)c1 ZINC000102383851 882416666 /nfs/dbraw/zinc/41/66/66/882416666.db2.gz JNJLILXEIMOSSF-KOSHJBKYSA-N 0 0 378.516 3.932 10 0 GHAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174073231 882422768 /nfs/dbraw/zinc/42/27/68/882422768.db2.gz OCFNQXPXBJFSAQ-IAGOWNOFSA-N 0 0 389.515 3.513 10 0 GHAERN Cc1c2c(sc1NC(=O)C1CCN(C(=O)c3ccccn3)CC1)CCCC2 ZINC000174391122 882461271 /nfs/dbraw/zinc/46/12/71/882461271.db2.gz OESMFXSZVOBFHP-UHFFFAOYSA-N 0 0 383.517 3.821 10 0 GHAERN CC[C@H](Oc1ccccc1F)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175134316 882528203 /nfs/dbraw/zinc/52/82/03/882528203.db2.gz OWWVNYNBNFRFEX-IBGZPJMESA-N 0 0 390.499 3.624 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174858493 882532231 /nfs/dbraw/zinc/53/22/31/882532231.db2.gz WNZHDENZYVNPHF-VXKWHMMOSA-N 0 0 392.499 3.537 10 0 GHAERN CCC(=O)Nc1cccc(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)c1 ZINC000175392378 882550014 /nfs/dbraw/zinc/55/00/14/882550014.db2.gz BTBVPEBTWVQMHE-INIZCTEOSA-N 0 0 382.460 3.682 10 0 GHAERN O=C(c1cc(F)c(Cl)nc1Cl)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000103374555 871855125 /nfs/dbraw/zinc/85/51/25/871855125.db2.gz WZRQVBQHALVQNI-NXEZZACHSA-N 0 0 379.284 3.654 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175539369 882595836 /nfs/dbraw/zinc/59/58/36/882595836.db2.gz UIXJWEJKGDAVRR-VAWYXSNFSA-N 0 0 381.439 3.549 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCCC[C@H]3c3cccn3C)CC2)n1 ZINC000175527071 882594525 /nfs/dbraw/zinc/59/45/25/882594525.db2.gz GQEDHMKUHSGPCK-FQEVSTJZSA-N 0 0 381.524 3.634 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175617826 882605717 /nfs/dbraw/zinc/60/57/17/882605717.db2.gz XQCSPEYILCWLST-ZWKOTPCHSA-N 0 0 394.556 3.878 10 0 GHAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000101927006 872392197 /nfs/dbraw/zinc/39/21/97/872392197.db2.gz SWUISRTYYWPPNP-UHFFFAOYSA-N 0 0 387.892 3.753 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000175738024 882619653 /nfs/dbraw/zinc/61/96/53/882619653.db2.gz HSGOEYZCSMVWJC-RVEGZYOQSA-N 0 0 376.453 3.557 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCC(=O)c3cccs3)C2)o1 ZINC000102143189 872640471 /nfs/dbraw/zinc/64/04/71/872640471.db2.gz WIPBMEMLZUTSAC-OAHLLOKOSA-N 0 0 389.473 3.708 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)ccc1F ZINC000175817292 882636107 /nfs/dbraw/zinc/63/61/07/882636107.db2.gz VXVNTDGPUYWLCD-HOCLYGCPSA-N 0 0 375.404 3.506 10 0 GHAERN COc1ccc(CC2CCN(C(=O)Nc3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000175814487 882636352 /nfs/dbraw/zinc/63/63/52/882636352.db2.gz ITCJIHVELHMULE-HHHXNRCGSA-N 0 0 386.517 3.919 10 0 GHAERN CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102319978 872898751 /nfs/dbraw/zinc/89/87/51/872898751.db2.gz RXPSXRDBHSRFDC-UHFFFAOYSA-N 0 0 383.473 3.564 10 0 GHAERN O=C(NCC1(c2cccc(Br)c2)CCC1)[C@@H]1CCCn2ccnc21 ZINC000176093193 882665431 /nfs/dbraw/zinc/66/54/31/882665431.db2.gz PNSIKPKXMCGWOW-MRXNPFEDSA-N 0 0 388.309 3.761 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115220518 873063244 /nfs/dbraw/zinc/06/32/44/873063244.db2.gz NRBVBMSRAAIJJP-UHFFFAOYSA-N 0 0 396.462 3.632 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC(OCC2CCCC2)CC1 ZINC000176448444 882694808 /nfs/dbraw/zinc/69/48/08/882694808.db2.gz XQHFFHKJQSOGQB-LJQANCHMSA-N 0 0 388.533 3.687 10 0 GHAERN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161564209 873378983 /nfs/dbraw/zinc/37/89/83/873378983.db2.gz MIMIQEGJHDAXLQ-UXHICEINSA-N 0 0 375.557 3.826 10 0 GHAERN COCc1nc2cc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc2o1 ZINC000176606653 882718807 /nfs/dbraw/zinc/71/88/07/882718807.db2.gz MVYPNUADJJLPOZ-UHFFFAOYSA-N 0 0 399.472 3.527 10 0 GHAERN Cc1ccc2[nH]c(C(=O)N3CCCN(C(=O)c4cccs4)CC3)cc2c1C ZINC000116761205 873671907 /nfs/dbraw/zinc/67/19/07/873671907.db2.gz VSXJVVAHOPFNLJ-UHFFFAOYSA-N 0 0 381.501 3.835 10 0 GHAERN O=C1C[C@@H](c2cccc(F)c2)CN1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000102885170 873791996 /nfs/dbraw/zinc/79/19/96/873791996.db2.gz ZWNVPMMABDQNFL-XLIONFOSSA-N 0 0 388.870 3.826 10 0 GHAERN CCN(CC(=O)Nc1ccc(C(C)C)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102931521 873895087 /nfs/dbraw/zinc/89/50/87/873895087.db2.gz CIRNTFSGEGFCGW-UHFFFAOYSA-N 0 0 381.520 3.972 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@@H](c4nccs4)C3)cc2)co1 ZINC000117365617 873968072 /nfs/dbraw/zinc/96/80/72/873968072.db2.gz BLSQYVJSPAHMSA-OAHLLOKOSA-N 0 0 389.502 3.675 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)nc1n2CCCCC1)c1nnc2n1CCCC2 ZINC000177942164 882849669 /nfs/dbraw/zinc/84/96/69/882849669.db2.gz HMYJGNUUYULTMK-AWEZNQCLSA-N 0 0 393.495 3.573 10 0 GHAERN O=C(Nc1cccc(OCCF)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178040526 882859393 /nfs/dbraw/zinc/85/93/93/882859393.db2.gz QHXBBLDOLXUKSD-UHFFFAOYSA-N 0 0 388.414 3.665 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000104917031 874849257 /nfs/dbraw/zinc/84/92/57/874849257.db2.gz OQDNWNIXLQLLSI-FQEVSTJZSA-N 0 0 388.467 3.522 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(N3CCNC3=O)c1C)CCC2 ZINC000119147184 874947259 /nfs/dbraw/zinc/94/72/59/874947259.db2.gz KSJCQJYTJDRANR-QGZVFWFLSA-N 0 0 398.532 3.693 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccc(F)c1 ZINC000178105390 882886600 /nfs/dbraw/zinc/88/66/00/882886600.db2.gz ASFDUZPOHYJSGU-KRWDZBQOSA-N 0 0 396.422 3.718 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(c2ccccn2)C2CCCC2)CC1 ZINC000178484864 882895135 /nfs/dbraw/zinc/89/51/35/882895135.db2.gz WIXPTFYMHCACMQ-UHFFFAOYSA-N 0 0 383.517 3.971 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178342123 882904768 /nfs/dbraw/zinc/90/47/68/882904768.db2.gz FHPRPGVJUWJOKU-UTKZUKDTSA-N 0 0 382.847 3.702 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1nc2ccccc2[nH]1 ZINC000178398371 882909911 /nfs/dbraw/zinc/90/99/11/882909911.db2.gz WMZFILNVNHXVJV-VQIMIIECSA-N 0 0 379.464 3.518 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@H](COC(=O)c3sccc3OC(F)F)C2)o1 ZINC000105767744 875454534 /nfs/dbraw/zinc/45/45/34/875454534.db2.gz BBVISKIRMPPACG-LBPRGKRZSA-N 0 0 399.415 3.960 10 0 GHAERN O=C(Nc1ccccc1)[C@H]1CCc2ccccc2N1C(=O)c1ncncc1Cl ZINC000179171693 882976549 /nfs/dbraw/zinc/97/65/49/882976549.db2.gz SMZFYWHPQZHKSL-GOSISDBHSA-N 0 0 392.846 3.730 10 0 GHAERN COc1cc(-c2noc(CN[C@@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1C ZINC000179989789 883043132 /nfs/dbraw/zinc/04/31/32/883043132.db2.gz KRNZASQKGNVYBS-AWEZNQCLSA-N 0 0 392.459 3.789 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2cc(F)ccc2OC(F)F)c2ccccc2)[nH]1 ZINC000121358338 876953194 /nfs/dbraw/zinc/95/31/94/876953194.db2.gz ATXLPBQGEQZULX-HNNXBMFYSA-N 0 0 391.353 3.765 10 0 GHAERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N1CCC(n2cncn2)CC1 ZINC000180714514 883095856 /nfs/dbraw/zinc/09/58/56/883095856.db2.gz PFUUFVFJYNZDDT-KRWDZBQOSA-N 0 0 393.413 3.795 10 0 GHAERN CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000122035297 878237170 /nfs/dbraw/zinc/23/71/70/878237170.db2.gz UYGXHEOECGGKKW-RDJZCZTQSA-N 0 0 387.501 3.507 10 0 GHAERN O=C(c1cccc(-n2ccnc2)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122654656 879240516 /nfs/dbraw/zinc/24/05/16/879240516.db2.gz DEUIPWQVZGEXLC-RTWAWAEBSA-N 0 0 379.435 3.740 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C[C@H](O)c3cccs3)nc21 ZINC000122996871 879772527 /nfs/dbraw/zinc/77/25/27/879772527.db2.gz MQXVHCCNXRMNKH-WBVHZDCISA-N 0 0 383.517 3.980 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccnn3Cc3ccccn3)C2)cc1 ZINC000181178509 883152154 /nfs/dbraw/zinc/15/21/54/883152154.db2.gz ICSJMNXDJRRDQA-FUHWJXTLSA-N 0 0 391.475 3.745 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccncc1 ZINC000181556086 883161976 /nfs/dbraw/zinc/16/19/76/883161976.db2.gz UYYVSLIJQSAGFL-GUYCJALGSA-N 0 0 379.382 3.945 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccncc1 ZINC000181556107 883163234 /nfs/dbraw/zinc/16/32/34/883163234.db2.gz UYYVSLIJQSAGFL-DYVFJYSZSA-N 0 0 379.382 3.945 10 0 GHAERN COCc1ccsc1C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000182331993 883214917 /nfs/dbraw/zinc/21/49/17/883214917.db2.gz SGAMTRGCWCZLJF-HNNXBMFYSA-N 0 0 384.501 3.651 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccncc1 ZINC000182404993 883219298 /nfs/dbraw/zinc/21/92/98/883219298.db2.gz PRVLLVKQOCBCJP-CXAGYDPISA-N 0 0 379.382 3.945 10 0 GHAERN Cc1ccc([C@H]2CN(Cc3nnc(C(=O)Nc4ccc(C)cc4)s3)CCO2)o1 ZINC000182660756 883230194 /nfs/dbraw/zinc/23/01/94/883230194.db2.gz ZJCBOKHPYXIKSJ-QGZVFWFLSA-N 0 0 398.488 3.574 10 0 GHAERN Brc1ccccc1-c1cnc(CN2CCCC[C@@H]2c2nc[nH]n2)o1 ZINC000182715913 883231969 /nfs/dbraw/zinc/23/19/69/883231969.db2.gz LJGUHHGPJQXULK-CQSZACIVSA-N 0 0 388.269 3.949 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3C[C@@H](C)C[C@H]3c3cccnc3)CC2)n1 ZINC000183503720 883268846 /nfs/dbraw/zinc/26/88/46/883268846.db2.gz LXKWIKBDHYYXDA-JXFKEZNVSA-N 0 0 379.508 3.547 10 0 GHAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)c1 ZINC000183686233 883280134 /nfs/dbraw/zinc/28/01/34/883280134.db2.gz YBZBICVOPBHQGK-QGZVFWFLSA-N 0 0 391.471 3.978 10 0 GHAERN CCc1ccc(CCNC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184015481 883298323 /nfs/dbraw/zinc/29/83/23/883298323.db2.gz TZSNUGPUKGNRNC-JOCHJYFZSA-N 0 0 397.494 3.723 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)CC2CCCCC2)c2ccc(F)cc2C1 ZINC000184011926 883298482 /nfs/dbraw/zinc/29/84/82/883298482.db2.gz QDDIVKDXDHHGAG-FQEVSTJZSA-N 0 0 375.488 3.841 10 0 GHAERN CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021557 883299033 /nfs/dbraw/zinc/29/90/33/883299033.db2.gz NBZSLZZIJDGVEV-QFIPXVFZSA-N 0 0 397.494 3.893 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184022665 883300013 /nfs/dbraw/zinc/30/00/13/883300013.db2.gz HHZFZAYTKMSGCC-HXUWFJFHSA-N 0 0 387.430 3.600 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC3(C2)CCCCC3)c2ccc(F)cc2C1 ZINC000184033087 883302085 /nfs/dbraw/zinc/30/20/85/883302085.db2.gz PJEXJILQMIWREZ-FQEVSTJZSA-N 0 0 387.499 3.985 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000184085471 883315124 /nfs/dbraw/zinc/31/51/24/883315124.db2.gz LOKMPXOFGDZNRN-CQSZACIVSA-N 0 0 376.848 3.566 10 0 GHAERN O=C(NC1CCC(O)CC1)N1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000184372811 883347189 /nfs/dbraw/zinc/34/71/89/883347189.db2.gz WEKJJSMHFUSNND-GPANFISMSA-N 0 0 385.277 3.738 10 0 GHAERN CCN(C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)C1CCCCC1 ZINC000185247787 883429523 /nfs/dbraw/zinc/42/95/23/883429523.db2.gz GJRXLQOIGYDWLG-FQEVSTJZSA-N 0 0 375.488 3.983 10 0 GHAERN CC(=O)N1CC[C@H](NCc2csc(-c3ccccn3)n2)c2ccc(F)cc2C1 ZINC000185356397 883439377 /nfs/dbraw/zinc/43/93/77/883439377.db2.gz CSFONBFFIOJACL-IBGZPJMESA-N 0 0 396.491 3.927 10 0 GHAERN COc1ccc(CCCC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185505188 883547467 /nfs/dbraw/zinc/54/74/67/883547467.db2.gz QQHPINZHWFPFOR-QFIPXVFZSA-N 0 0 398.478 3.767 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)COc2cccc(C(C)C)c2)c2ccc(F)cc2C1 ZINC000185535699 883551730 /nfs/dbraw/zinc/55/17/30/883551730.db2.gz FZZKXEMZOOOUOQ-QFIPXVFZSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000185539944 883552907 /nfs/dbraw/zinc/55/29/07/883552907.db2.gz KMCXSVVKPCHZCJ-BLVKFPJESA-N 0 0 390.405 3.817 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc3ccccc3n2)c2ccc(F)cc2C1 ZINC000185540821 883554161 /nfs/dbraw/zinc/55/41/61/883554161.db2.gz DZQDCGYHOGXSQA-FQEVSTJZSA-N 0 0 377.419 3.597 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H](C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185564711 883558493 /nfs/dbraw/zinc/55/84/93/883558493.db2.gz YOQBYRFGKDFICL-SPLOXXLWSA-N 0 0 386.442 3.753 10 0 GHAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000185676542 883572074 /nfs/dbraw/zinc/57/20/74/883572074.db2.gz SZFVKPWLDVEQMY-IBGZPJMESA-N 0 0 398.470 3.882 10 0 GHAERN O=C(CC1(CSc2ccccc2)CC1)N1CCC(c2ccnn2CCO)CC1 ZINC000186262171 883634936 /nfs/dbraw/zinc/63/49/36/883634936.db2.gz JMHOXEZOCDVVST-UHFFFAOYSA-N 0 0 399.560 3.544 10 0 GHAERN Fc1cc(Br)cc(F)c1CNCc1c[nH]nc1-c1cccnc1 ZINC000186551891 883662967 /nfs/dbraw/zinc/66/29/67/883662967.db2.gz CNVJKYKKPDYPJL-UHFFFAOYSA-N 0 0 379.208 3.802 10 0 GHAERN C[C@@H](CNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)Oc1ccccc1Cl ZINC000186618581 883674884 /nfs/dbraw/zinc/67/48/84/883674884.db2.gz BWICBQIZSVVGLT-LBPRGKRZSA-N 0 0 388.855 3.906 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C12CCCC2 ZINC000186617332 883675495 /nfs/dbraw/zinc/67/54/95/883675495.db2.gz KZYPVXPHBGOZCQ-ROUUACIJSA-N 0 0 386.496 3.865 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](Cc4nccn4C)C3)[nH]n2)c(C)c1 ZINC000186613591 883675535 /nfs/dbraw/zinc/67/55/35/883675535.db2.gz QOMREAYBCAONEA-QGZVFWFLSA-N 0 0 377.492 3.522 10 0 GHAERN C[C@H](OCCCNC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccccc1 ZINC000186642017 883678534 /nfs/dbraw/zinc/67/85/34/883678534.db2.gz NSJUKJCBAHHDQT-HNNXBMFYSA-N 0 0 382.464 3.953 10 0 GHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1nc(C2CCCCC2)no1 ZINC000186659185 883682625 /nfs/dbraw/zinc/68/26/25/883682625.db2.gz ZTCNPVSJWXLUEG-GFCCVEGCSA-N 0 0 398.467 3.977 10 0 GHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(-n2cccn2)cc1 ZINC000186674165 883685860 /nfs/dbraw/zinc/68/58/60/883685860.db2.gz FKOSCDCCTMJBDE-AWEZNQCLSA-N 0 0 390.447 3.732 10 0 GHAERN CN(Cc1ccc(Br)o1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186685772 883688154 /nfs/dbraw/zinc/68/81/54/883688154.db2.gz JYWZDGZGBNLRBE-UHFFFAOYSA-N 0 0 393.241 3.683 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)CCc3ccc4ccccc4c3)CC2)n1 ZINC000186782668 883701663 /nfs/dbraw/zinc/70/16/63/883701663.db2.gz ABKMGNLUNMFQNF-UHFFFAOYSA-N 0 0 378.476 3.628 10 0 GHAERN O=C(CCCc1nc2ccccc2s1)NC1CCC(O)(c2cccnc2)CC1 ZINC000187329599 883770690 /nfs/dbraw/zinc/77/06/90/883770690.db2.gz LDJJLKSJDMUCHH-UHFFFAOYSA-N 0 0 395.528 3.961 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)Cc3ccc(OC(C)C)cc3)CC2)c(C)o1 ZINC000187501283 883796452 /nfs/dbraw/zinc/79/64/52/883796452.db2.gz DEIACORVFFQQNT-UHFFFAOYSA-N 0 0 398.503 3.647 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000187868905 883809665 /nfs/dbraw/zinc/80/96/65/883809665.db2.gz DHEZMQPJOHFYHZ-AWEZNQCLSA-N 0 0 387.846 3.611 10 0 GHAERN Cc1cnccc1CNC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188279207 883842986 /nfs/dbraw/zinc/84/29/86/883842986.db2.gz GRSFCFBCEIGODL-LJQANCHMSA-N 0 0 375.476 3.869 10 0 GHAERN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCCn2ccnc21 ZINC000188742865 883865652 /nfs/dbraw/zinc/86/56/52/883865652.db2.gz IZSWMASIQNAGNH-OAHLLOKOSA-N 0 0 381.373 3.766 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccc(OC(F)F)cc1)[C@@H]2C ZINC000188795922 883873352 /nfs/dbraw/zinc/87/33/52/883873352.db2.gz UWUIROHVBJRQRW-YSKGHYERSA-N 0 0 376.407 3.620 10 0 GHAERN C[C@H](NCc1noc(-c2ccc(F)cc2F)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000189159066 883908998 /nfs/dbraw/zinc/90/89/98/883908998.db2.gz RXNYVBXNJPPCPP-NSHDSACASA-N 0 0 384.386 3.750 10 0 GHAERN CN(CC1(c2ccccc2)CC1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000189215503 883913826 /nfs/dbraw/zinc/91/38/26/883913826.db2.gz BUOKDXLGIVHHRE-UHFFFAOYSA-N 0 0 382.529 3.791 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(OC3CCCCC3)cc2)C1 ZINC000189122666 883921093 /nfs/dbraw/zinc/92/10/93/883921093.db2.gz JTKRXTWBSUGKOV-RBUKOAKNSA-N 0 0 385.464 3.692 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189323718 883937271 /nfs/dbraw/zinc/93/72/71/883937271.db2.gz VVOXUDXYXQUADN-UHFFFAOYSA-N 0 0 382.493 3.746 10 0 GHAERN O=C(Nc1ccccc1C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)OCc1ccccc1 ZINC000189316625 883937331 /nfs/dbraw/zinc/93/73/31/883937331.db2.gz LMRHQJPMJIRDDO-AHRSYUTCSA-N 0 0 380.444 3.733 10 0 GHAERN COc1ccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)cc1Br ZINC000189580118 883965084 /nfs/dbraw/zinc/96/50/84/883965084.db2.gz JNBPAZLUEHLDJD-GFCCVEGCSA-N 0 0 379.302 3.749 10 0 GHAERN COc1ccc(-n2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)n2)cc1 ZINC000189785575 883995529 /nfs/dbraw/zinc/99/55/29/883995529.db2.gz XYNAUBLBHIZRIR-UHFFFAOYSA-N 0 0 389.455 3.590 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Br)c(Cl)c2)C[C@H]1C ZINC000189794663 883996658 /nfs/dbraw/zinc/99/66/58/883996658.db2.gz DSLAWYXLARXIGJ-KOLCDFICSA-N 0 0 389.677 3.765 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)Nc2nc(-c3ccccc3Cl)ns2)C[C@H]1C ZINC000189882588 884005025 /nfs/dbraw/zinc/00/50/25/884005025.db2.gz AUBUVWDWRWDSEC-GHMZBOCLSA-N 0 0 394.884 3.521 10 0 GHAERN CC(C)NC(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189815931 884013727 /nfs/dbraw/zinc/01/37/27/884013727.db2.gz ZESCFXBHYLXDSR-UHFFFAOYSA-N 0 0 393.487 3.925 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190081578 884037310 /nfs/dbraw/zinc/03/73/10/884037310.db2.gz RLGNOYQUJKZZBG-UNEWFSDZSA-N 0 0 381.929 3.582 10 0 GHAERN CN(C)c1nc2sc(C(=O)N3CCC(Nc4nccs4)CC3)cc2s1 ZINC000190382948 884073548 /nfs/dbraw/zinc/07/35/48/884073548.db2.gz FMRPXMMYFRUEBF-UHFFFAOYSA-N 0 0 393.563 3.597 10 0 GHAERN Fc1ccc(OC2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cn1 ZINC000190540881 884097457 /nfs/dbraw/zinc/09/74/57/884097457.db2.gz CGFNFODQZJSZDQ-UHFFFAOYSA-N 0 0 378.831 3.784 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N1CC[C@@H](Oc2cccnc2)C1 ZINC000190816236 884113776 /nfs/dbraw/zinc/11/37/76/884113776.db2.gz KHDLLMIITFTCLV-GFCCVEGCSA-N 0 0 398.207 3.808 10 0 GHAERN CCCOc1cc(OC)ccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000191713752 884205712 /nfs/dbraw/zinc/20/57/12/884205712.db2.gz GKQUVJNSWLWUJL-UWJYYQICSA-N 0 0 397.519 3.519 10 0 GHAERN O=C(Nc1cccc(Cl)c1Br)N1CCC(n2cncn2)CC1 ZINC000191710491 884206176 /nfs/dbraw/zinc/20/61/76/884206176.db2.gz XPGLPIGQQROISL-UHFFFAOYSA-N 0 0 384.665 3.563 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000192135024 884243067 /nfs/dbraw/zinc/24/30/67/884243067.db2.gz AKSKKNWCOBCXBV-QFBILLFUSA-N 0 0 387.386 3.643 10 0 GHAERN C[C@@H](NC(=O)NCC1CCC2(CC1)OCCO2)c1ncc(-c2ccccc2)o1 ZINC000192283375 884247068 /nfs/dbraw/zinc/24/70/68/884247068.db2.gz RNJJSCABQFLMAC-OAHLLOKOSA-N 0 0 385.464 3.635 10 0 GHAERN CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000192391733 884255578 /nfs/dbraw/zinc/25/55/78/884255578.db2.gz ARHDWRGAJKZBHA-INIZCTEOSA-N 0 0 392.546 3.737 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NCC1CCC3(CC1)OCCO3)CCC2 ZINC000192628891 884271097 /nfs/dbraw/zinc/27/10/97/884271097.db2.gz GZJRAMSURPOJHS-MRXNPFEDSA-N 0 0 393.553 3.658 10 0 GHAERN Cc1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cnn1C1CCCC1 ZINC000192716576 884291557 /nfs/dbraw/zinc/29/15/57/884291557.db2.gz PBYMLLKQJIIPJQ-UHFFFAOYSA-N 0 0 386.521 3.859 10 0 GHAERN O=C(Nc1cc(Cl)ccc1F)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192930863 884314330 /nfs/dbraw/zinc/31/43/30/884314330.db2.gz BYTKKJFQIQBEEY-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000102749732 884401544 /nfs/dbraw/zinc/40/15/44/884401544.db2.gz PPPGQRLWPCERRR-GFCCVEGCSA-N 0 0 382.432 3.608 10 0 GHAERN CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102915129 884632438 /nfs/dbraw/zinc/63/24/38/884632438.db2.gz MHVVXJJEJDLLQG-SFHVURJKSA-N 0 0 380.444 3.987 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000105547510 884807184 /nfs/dbraw/zinc/80/71/84/884807184.db2.gz OISFBZOJZWKVCW-KRWDZBQOSA-N 0 0 395.509 3.964 10 0 GHAERN CC(=O)Nc1ccc(CCNC(=O)N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000103599016 885997264 /nfs/dbraw/zinc/99/72/64/885997264.db2.gz BIRKOWVVIYJCBK-OAQYLSRUSA-N 0 0 377.444 3.869 10 0 GHAERN CS(=O)(=O)Cc1ccccc1NC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000105025107 886007641 /nfs/dbraw/zinc/00/76/41/886007641.db2.gz LIEJQMOKVVALPS-IBGZPJMESA-N 0 0 384.457 3.735 10 0 GHAERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC(N2CCCC2=O)CC1 ZINC000105086748 886011236 /nfs/dbraw/zinc/01/12/36/886011236.db2.gz SDEBOGQSNTVSGA-IBGZPJMESA-N 0 0 375.900 3.588 10 0 GHAERN Cn1ccnc1CC1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106166030 886027006 /nfs/dbraw/zinc/02/70/06/886027006.db2.gz MIWRNQVKFOOFQN-UHFFFAOYSA-N 0 0 381.307 3.620 10 0 GHAERN O=C([C@H]1CCCN1c1nccs1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000110604258 886205335 /nfs/dbraw/zinc/20/53/35/886205335.db2.gz ZMBURCJGXIADOF-MRXNPFEDSA-N 0 0 382.489 3.659 10 0 GHAERN Cc1nc2cc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2o1 ZINC000029796030 886229228 /nfs/dbraw/zinc/22/92/28/886229228.db2.gz KVPUMCOPMLKYOV-UHFFFAOYSA-N 0 0 381.407 3.766 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000114826356 886329117 /nfs/dbraw/zinc/32/91/17/886329117.db2.gz LOVFXJPPRNUCRO-NVXWUHKLSA-N 0 0 398.532 3.920 10 0 GHAERN O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@H](c2nccs2)C1 ZINC000114823883 886329135 /nfs/dbraw/zinc/32/91/35/886329135.db2.gz RFQXEGQSJPJAGE-KRWDZBQOSA-N 0 0 385.533 3.781 10 0 GHAERN COc1cc(F)c([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)cc1OC ZINC000114832300 886329881 /nfs/dbraw/zinc/32/98/81/886329881.db2.gz JWUIEZCYQJBTCK-OLZOCXBDSA-N 0 0 393.484 3.950 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)NCc3nc(C(C)(C)C)cs3)CC2)n1 ZINC000116956431 886373667 /nfs/dbraw/zinc/37/36/67/886373667.db2.gz FVCBFIGREGPIAB-UHFFFAOYSA-N 0 0 387.553 3.612 10 0 GHAERN O=C(c1cccc(CN2C(=O)CSC2=O)c1)N1CC=C(c2cccs2)CC1 ZINC000117719465 886391070 /nfs/dbraw/zinc/39/10/70/886391070.db2.gz YYUNBONJFYYRPA-UHFFFAOYSA-N 0 0 398.509 3.873 10 0 GHAERN C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000117804996 886395713 /nfs/dbraw/zinc/39/57/13/886395713.db2.gz LLZZSYAPXWUQJA-FUHWJXTLSA-N 0 0 376.460 3.645 10 0 GHAERN O=C(CCC(=O)N1CCC(n2cncn2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000120419170 886519459 /nfs/dbraw/zinc/51/94/59/886519459.db2.gz SZJPRKJDQFLVOM-UHFFFAOYSA-N 0 0 388.471 3.772 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000332841674 886552780 /nfs/dbraw/zinc/55/27/80/886552780.db2.gz KMGWLLGQDWVRPI-XRHLQHRESA-N 0 0 386.521 3.935 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 ZINC000332843612 886553981 /nfs/dbraw/zinc/55/39/81/886553981.db2.gz DKVVUUMOZGEZNT-DLBZAZTESA-N 0 0 392.569 3.583 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000122542178 886591756 /nfs/dbraw/zinc/59/17/56/886591756.db2.gz UIASSRVIFVKKCZ-FXAWDEMLSA-N 0 0 385.508 3.592 10 0 GHAERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000123920907 886690927 /nfs/dbraw/zinc/69/09/27/886690927.db2.gz RLECDPRIAOISNN-UHFFFAOYSA-N 0 0 398.463 3.881 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCC[C@@H]2c2ccncc2)c2ccccc2F)no1 ZINC000124219136 886719410 /nfs/dbraw/zinc/71/94/10/886719410.db2.gz KWQBWRKYFXPRQO-QZTJIDSGSA-N 0 0 381.411 3.548 10 0 GHAERN CS[C@@H]1CCCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124425649 886746801 /nfs/dbraw/zinc/74/68/01/886746801.db2.gz MTJDWKPPJOALBP-CZUORRHYSA-N 0 0 378.473 3.534 10 0 GHAERN O=C(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)N1CC[C@@]2(CCOC2)C1 ZINC000125322456 886854849 /nfs/dbraw/zinc/85/48/49/886854849.db2.gz DEICXUPACWWLHJ-LJQANCHMSA-N 0 0 388.855 3.912 10 0 GHAERN CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000045278583 887041332 /nfs/dbraw/zinc/04/13/32/887041332.db2.gz YQHFBBGXMLZWBL-CVEARBPZSA-N 0 0 390.530 3.686 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2ccccc2OC2CCC2)CC1 ZINC000127522887 887072813 /nfs/dbraw/zinc/07/28/13/887072813.db2.gz XYRBFKNYRALEMW-UHFFFAOYSA-N 0 0 382.508 3.516 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)/C=C/c1c(C)nn(C)c1Cl)c1ccccn1 ZINC000129275206 887278267 /nfs/dbraw/zinc/27/82/67/887278267.db2.gz BOMSAUWUWYVWRZ-YVNCXZRQSA-N 0 0 396.878 3.705 10 0 GHAERN O=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccncc1 ZINC000047716941 887362624 /nfs/dbraw/zinc/36/26/24/887362624.db2.gz YXLMGSSCIXZVSB-UHFFFAOYSA-N 0 0 399.494 3.635 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCc3ncc(-c4ccccc4F)o3)CCO2)o1 ZINC000133924377 887816766 /nfs/dbraw/zinc/81/67/66/887816766.db2.gz DHEXRRIGTISVHV-LJQANCHMSA-N 0 0 384.407 3.915 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000134284119 887848763 /nfs/dbraw/zinc/84/87/63/887848763.db2.gz UUACSPNYLBYIBW-NQIIRXRSSA-N 0 0 391.471 3.798 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134297822 887850784 /nfs/dbraw/zinc/85/07/84/887850784.db2.gz UCOLVWSKSCSIJY-GUYCJALGSA-N 0 0 393.940 3.771 10 0 GHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134376765 887865997 /nfs/dbraw/zinc/86/59/97/887865997.db2.gz GUYGAZJRDDDQES-LQWHRVPQSA-N 0 0 399.535 3.591 10 0 GHAERN O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000054538627 887996301 /nfs/dbraw/zinc/99/63/01/887996301.db2.gz HHWSKZNDRWGHPX-INIZCTEOSA-N 0 0 392.425 3.930 10 0 GHAERN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000135242317 888225220 /nfs/dbraw/zinc/22/52/20/888225220.db2.gz ABHPBTMFXUYLJO-JXFKEZNVSA-N 0 0 380.463 3.966 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 ZINC000135510248 888246455 /nfs/dbraw/zinc/24/64/55/888246455.db2.gz MAEROUOFXBIYPP-UHFFFAOYSA-N 0 0 382.529 3.836 10 0 GHAERN O=C(c1cc(F)ccc1F)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000055525782 888322174 /nfs/dbraw/zinc/32/21/74/888322174.db2.gz OGIACXJJDBKRIG-UHFFFAOYSA-N 0 0 378.806 3.607 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000056561960 888366943 /nfs/dbraw/zinc/36/69/43/888366943.db2.gz PMOIARNEZPWVPZ-QGZVFWFLSA-N 0 0 391.475 3.581 10 0 GHAERN CCOc1ccc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1OCC ZINC000062130850 888500422 /nfs/dbraw/zinc/50/04/22/888500422.db2.gz UPCDAFCOZMRPNQ-UHFFFAOYSA-N 0 0 385.508 3.850 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCc3ncc(C(C)(C)C)o3)C2)c1 ZINC000193745608 888520049 /nfs/dbraw/zinc/52/00/49/888520049.db2.gz KGUKQCVRSIADPS-HNNXBMFYSA-N 0 0 386.492 3.938 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@H]2CCCc3cccnc32)cc1OC ZINC000194123861 888559776 /nfs/dbraw/zinc/55/97/76/888559776.db2.gz INCULTJHOPQBOL-LBPRGKRZSA-N 0 0 391.265 3.920 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000194934343 888632389 /nfs/dbraw/zinc/63/23/89/888632389.db2.gz YYFUHCIWVDARQD-TZIWHRDSSA-N 0 0 383.467 3.549 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](c3cccs3)c3ncc[nH]3)cc2)CCC(=O)NC1=O ZINC000195105414 888646116 /nfs/dbraw/zinc/64/61/16/888646116.db2.gz GHEKENNIGMXNDI-GHTZIAJQSA-N 0 0 394.500 3.757 10 0 GHAERN COc1ccc(-c2noc([C@@H](C)N3CCC[C@H](c4nncn4C(C)C)C3)n2)cc1 ZINC000245525960 888844896 /nfs/dbraw/zinc/84/48/96/888844896.db2.gz BSICIRYEEKVTPW-WBVHZDCISA-N 0 0 396.495 3.858 10 0 GHAERN Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245681655 889215044 /nfs/dbraw/zinc/21/50/44/889215044.db2.gz KZIMJPLYEDZXNE-HLAWJBBLSA-N 0 0 398.551 3.971 10 0 GHAERN CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000245839649 889837596 /nfs/dbraw/zinc/83/75/96/889837596.db2.gz JKTILJNYJOKNES-WTNAPCKOSA-N 0 0 381.520 3.611 10 0 GHAERN CC(C)C[C@H](NC(=O)CN1CCC[C@@H](c2nncn2C2CC2)C1)c1ccccc1 ZINC000245979376 890123070 /nfs/dbraw/zinc/12/30/70/890123070.db2.gz GORVPKZAWZFVGZ-CTNGQTDRSA-N 0 0 395.551 3.696 10 0 GHAERN O=C(NC1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1)C1CCCCC1 ZINC000065963883 890394393 /nfs/dbraw/zinc/39/43/93/890394393.db2.gz YHIXMZCTFAUFGB-UHFFFAOYSA-N 0 0 392.927 3.867 10 0 GHAERN CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000246113628 890400016 /nfs/dbraw/zinc/40/00/16/890400016.db2.gz NRUAMOOERJQAQX-QXAKKESOSA-N 0 0 386.492 3.650 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000246185705 890615968 /nfs/dbraw/zinc/61/59/68/890615968.db2.gz NSVMWYBNPGZUBP-OBJOEFQTSA-N 0 0 379.291 3.902 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246281380 890932205 /nfs/dbraw/zinc/93/22/05/890932205.db2.gz TTYBXSMOAFLNGX-GBESFXJTSA-N 0 0 397.523 3.534 10 0 GHAERN Brc1cnc2[nH]c(SCc3nc(-c4ccoc4)no3)nc2c1 ZINC000105571475 891243870 /nfs/dbraw/zinc/24/38/70/891243870.db2.gz XAFYONFHYSHDOO-UHFFFAOYSA-N 0 0 378.211 3.656 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@@](=O)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000246725734 891301058 /nfs/dbraw/zinc/30/10/58/891301058.db2.gz ITTTZVSNIUZPST-FBUUVDBFSA-N 0 0 377.510 3.631 10 0 GHAERN C[C@H](NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)[C@@H]1COc2ccccc21 ZINC000246851081 891315265 /nfs/dbraw/zinc/31/52/65/891315265.db2.gz QOVDUIWFXQYYSX-LVWPNOBMSA-N 0 0 398.478 3.845 10 0 GHAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000246875076 891319061 /nfs/dbraw/zinc/31/90/61/891319061.db2.gz DLKLMMZDRBGKOF-SGIREYDYSA-N 0 0 383.286 3.675 10 0 GHAERN O=C(c1ccc(Br)s1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000247850525 891397472 /nfs/dbraw/zinc/39/74/72/891397472.db2.gz IQPZDHFYOQQBLO-UHFFFAOYSA-N 0 0 399.354 3.765 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N2CCCc3cccc(F)c32)CC1 ZINC000247861534 891397493 /nfs/dbraw/zinc/39/74/93/891397493.db2.gz MUBKYYLRBQVHCV-UHFFFAOYSA-N 0 0 384.426 3.796 10 0 GHAERN O=C1O[C@H](C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CN1c1ccccc1 ZINC000248409243 891432616 /nfs/dbraw/zinc/43/26/16/891432616.db2.gz CNKOJGVBYSVMTJ-HZPDHXFCSA-N 0 0 394.397 3.564 10 0 GHAERN C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000248431244 891436032 /nfs/dbraw/zinc/43/60/32/891436032.db2.gz SUNXYVYSUAHHKV-TZMCWYRMSA-N 0 0 387.427 3.537 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248617468 891444751 /nfs/dbraw/zinc/44/47/51/891444751.db2.gz JLGVQYIIAZYFPU-NBQZKYEYSA-N 0 0 375.488 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c2ccc(F)cc2C1 ZINC000248777360 891468136 /nfs/dbraw/zinc/46/81/36/891468136.db2.gz ZFUCYUMXVTUSAY-CPUXHMLJSA-N 0 0 387.499 3.982 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N2CCC(N(C)c3ccccc3)CC2)c1 ZINC000248779643 891468306 /nfs/dbraw/zinc/46/83/06/891468306.db2.gz PXOOXBBIPHAWBS-UNMCSNQZSA-N 0 0 394.515 3.935 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c2ccc(F)cc2C1 ZINC000248777215 891468369 /nfs/dbraw/zinc/46/83/69/891468369.db2.gz ZDZUIKAHBHWTDM-LHHVKLHASA-N 0 0 375.488 3.743 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3cccnc32)C1 ZINC000248831407 891473047 /nfs/dbraw/zinc/47/30/47/891473047.db2.gz MADCHAOWJMJTCJ-JQHSSLGASA-N 0 0 387.524 3.653 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000249036117 891489256 /nfs/dbraw/zinc/48/92/56/891489256.db2.gz XLLQSEIIJFTLTB-LMOYCYGVSA-N 0 0 396.274 3.777 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000105182548 898200139 /nfs/dbraw/zinc/20/01/39/898200139.db2.gz KPQDHDNOIBCSAG-UHFFFAOYSA-N 0 0 399.510 3.933 10 0 GHAERN O=C(CN1CCCC[C@@H]1c1nc[nH]n1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121797319 901678485 /nfs/dbraw/zinc/67/84/85/901678485.db2.gz BKFNJHCODSZIKE-CYBMUJFWSA-N 0 0 387.793 3.643 10 0 GHAERN C[C@H]1OCC[C@@]12CN(C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)CCO2 ZINC000333505071 902141890 /nfs/dbraw/zinc/14/18/90/902141890.db2.gz KXDATJLHEMMPII-UESRRSCYSA-N 0 0 399.318 3.686 10 0 GHAERN C[C@@H]1[C@@H](O)CCCN1C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000333635010 902237038 /nfs/dbraw/zinc/23/70/38/902237038.db2.gz RMHDULNGTOOYFP-WQVCFCJDSA-N 0 0 389.496 3.881 10 0 GHAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333985904 902481685 /nfs/dbraw/zinc/48/16/85/902481685.db2.gz GPTXDELIDCKOIN-IPMKNSEASA-N 0 0 381.520 3.703 10 0 GHAERN Cc1nn(-c2ccccc2C)c2sc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)cc12 ZINC000333986663 902482727 /nfs/dbraw/zinc/48/27/27/902482727.db2.gz GZHGHPLGDAKGGO-GVDBMIGSSA-N 0 0 395.528 3.937 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334024883 902509171 /nfs/dbraw/zinc/50/91/71/902509171.db2.gz GLBYTZWKKNMLGO-AUSIDOKSSA-N 0 0 376.456 3.884 10 0 GHAERN CC(C)Oc1ccc(CCCOC(=O)C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000103674674 904498776 /nfs/dbraw/zinc/49/87/76/904498776.db2.gz KCSWLRHTWRZULW-UHFFFAOYSA-N 0 0 375.509 3.844 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176075949 905747252 /nfs/dbraw/zinc/74/72/52/905747252.db2.gz NNRKHURQMVSWCR-GUYCJALGSA-N 0 0 382.501 3.654 10 0 GHAERN O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181274143 906960990 /nfs/dbraw/zinc/96/09/90/906960990.db2.gz IZZOIRHUXRLXPC-HNNXBMFYSA-N 0 0 386.456 3.750 10 0 GHAERN CC(C)c1nc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)nn1-c1ccccc1Cl ZINC000181391574 906989273 /nfs/dbraw/zinc/98/92/73/906989273.db2.gz XJUYBRDMOHVPJF-OAHLLOKOSA-N 0 0 399.886 3.530 10 0 GHAERN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182684742 907250520 /nfs/dbraw/zinc/25/05/20/907250520.db2.gz JKNIPHVOIWVCQV-YRGRVCCFSA-N 0 0 398.536 3.516 10 0 GHAERN CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183075907 907323705 /nfs/dbraw/zinc/32/37/05/907323705.db2.gz SPWGVFQIWXIJHN-CQSZACIVSA-N 0 0 383.374 3.981 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000186568517 907944520 /nfs/dbraw/zinc/94/45/20/907944520.db2.gz XVXBDHCJSPARLA-DOMZBBRYSA-N 0 0 382.530 3.601 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C(C)(F)F)c2)cs1 ZINC000187520073 908100345 /nfs/dbraw/zinc/10/03/45/908100345.db2.gz COVRCHZCMXUJKJ-HNNXBMFYSA-N 0 0 379.432 3.865 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)C1 ZINC000189429884 908321293 /nfs/dbraw/zinc/32/12/93/908321293.db2.gz XVSFBJRDRGLCFX-DZGCQCFKSA-N 0 0 399.451 3.811 10 0 GHAERN CCS(=O)(=O)c1ccc2oc(CN3CCC[C@H]3c3csc(C)n3)nc2c1 ZINC000189746896 908370512 /nfs/dbraw/zinc/37/05/12/908370512.db2.gz XTMLWSLHFNGPIJ-INIZCTEOSA-N 0 0 391.518 3.723 10 0 GHAERN Cc1nc([C@@H]2CCCN2Cc2nnc(C(=O)Nc3ccccc3)s2)cs1 ZINC000189810132 908377289 /nfs/dbraw/zinc/37/72/89/908377289.db2.gz SCXWDIKJQRSYLX-HNNXBMFYSA-N 0 0 385.518 3.892 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)C1 ZINC000190033506 908408341 /nfs/dbraw/zinc/40/83/41/908408341.db2.gz FAJWMJKTHYKFOH-ZVYLKZBJSA-N 0 0 395.381 3.789 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc3nc(C4CC4)sc3c2)C1 ZINC000190126654 908432634 /nfs/dbraw/zinc/43/26/34/908432634.db2.gz GKRCFMQBGGDQIQ-ZFWWWQNUSA-N 0 0 399.476 3.859 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000190132686 908434196 /nfs/dbraw/zinc/43/41/96/908434196.db2.gz ZUDMUKWTIXPWGG-TZMCWYRMSA-N 0 0 384.358 3.699 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccc(Oc3cccnc3)c(C)c2)C1 ZINC000190149656 908439499 /nfs/dbraw/zinc/43/94/99/908439499.db2.gz YBLRICIXOQHVKB-RBUKOAKNSA-N 0 0 380.448 3.836 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCSc4ccccc43)CCO2)n1 ZINC000194019308 908909524 /nfs/dbraw/zinc/90/95/24/908909524.db2.gz NGPILMYEMFWQBE-HUUCEWRRSA-N 0 0 375.519 3.772 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)CCO2)n1 ZINC000194245164 908928308 /nfs/dbraw/zinc/92/83/08/908928308.db2.gz ZVTAFEFUSGBEMO-HUUCEWRRSA-N 0 0 393.896 3.712 10 0 GHAERN CCOc1ccc(CC(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)cc1 ZINC000103815883 911179932 /nfs/dbraw/zinc/17/99/32/911179932.db2.gz PRFFUQHXPYPWOH-LJQANCHMSA-N 0 0 398.503 3.595 10 0 GHAERN CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)c1ccsc1CC(=O)[O-] ZINC000720021211 978023030 /nfs/dbraw/zinc/02/30/30/978023030.db2.gz LYQGUGPUYNIQNY-KRWDZBQOSA-N 0 0 386.517 3.502 10 0 GHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184028866 1014571287 /nfs/dbraw/zinc/57/12/87/1014571287.db2.gz RZLWTICFVFWICX-NHCUHLMSSA-N 0 0 398.482 3.807 10 0 GHAERN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000185252984 1014577422 /nfs/dbraw/zinc/57/74/22/1014577422.db2.gz WIWVTTVKQHZPIP-OXQOHEQNSA-N 0 0 375.488 3.841 10 0 GHAERN Cc1cccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc12 ZINC000001782909 212255768 /nfs/dbraw/zinc/25/57/68/212255768.db2.gz MCFDTXJPVWPIPV-HMMYKYKNSA-N 0 0 399.450 3.724 10 0 GHAERN CC(=O)N1CCC(Nc2ccccc2[S@](=O)c2ccc(Cl)cc2)CC1 ZINC000034806781 212159910 /nfs/dbraw/zinc/15/99/10/212159910.db2.gz FPXJIEWAJCVALH-VWLOTQADSA-N 0 0 376.909 3.930 10 0 GHAERN O=C1[C@@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(F)(F)F ZINC000006095260 212148308 /nfs/dbraw/zinc/14/83/08/212148308.db2.gz UUODKRKSEPDUBO-OAHLLOKOSA-N 0 0 386.732 3.544 10 0 GHAERN CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000255970996 212138947 /nfs/dbraw/zinc/13/89/47/212138947.db2.gz FBWWXAGANVJTLU-QJSROQMMSA-N 0 0 378.509 3.785 10 0 GHAERN c1ccc(CNc2nc(NCc3ccccc3)nc(OC[C@H]3CCCO3)n2)cc1 ZINC000005518344 220879000 /nfs/dbraw/zinc/87/90/00/220879000.db2.gz LBFIXCPMTNTZGT-LJQANCHMSA-N 0 0 391.475 3.654 10 0 GHAERN Cc1ccccc1-c1nc2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2n1 ZINC000006208438 220923983 /nfs/dbraw/zinc/92/39/83/220923983.db2.gz GIGCXRLSBBPPQI-OVCLIPMQSA-N 0 0 388.279 3.981 10 0 GHAERN COc1cccc(-c2cc(-c3ccc(OC)cc3OC)c3c(N)ncnc3n2)c1 ZINC000009694615 221090311 /nfs/dbraw/zinc/09/03/11/221090311.db2.gz LOSGZZQMTAGAOJ-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN O=C(NCCCn1ccc2ccccc21)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012320084 221181598 /nfs/dbraw/zinc/18/15/98/221181598.db2.gz RNBJVFCGFQJWFY-OAQYLSRUSA-N 0 0 395.547 3.967 10 0 GHAERN Cc1nc(-c2nc(N3CCC(C(N)=O)CC3)ncc2-c2ccsc2)sc1C ZINC000012751328 221224802 /nfs/dbraw/zinc/22/48/02/221224802.db2.gz KKRASDFPROHNOU-UHFFFAOYSA-N 0 0 399.545 3.647 10 0 GHAERN Cc1ccc(CN(C)C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)o1 ZINC000012750205 221224844 /nfs/dbraw/zinc/22/48/44/221224844.db2.gz ILHZUGHQNLJNCN-UHFFFAOYSA-N 0 0 378.432 3.634 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@@H]1c1ccc(O)cc1 ZINC000015920651 221352941 /nfs/dbraw/zinc/35/29/41/221352941.db2.gz JEPPWGCIBXYOFB-NRFANRHFSA-N 0 0 377.444 3.672 10 0 GHAERN Cc1ccc(CNc2ccc(C(=O)N3CCC(Oc4cccnc4)CC3)cn2)o1 ZINC000019147833 221399346 /nfs/dbraw/zinc/39/93/46/221399346.db2.gz ONQLKJDBSYLKIM-UHFFFAOYSA-N 0 0 392.459 3.674 10 0 GHAERN Cc1nc(-c2cccnc2N2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)no1 ZINC000065227550 136160563 /nfs/dbraw/zinc/16/05/63/136160563.db2.gz DRTUPAZIZJBPNS-OAHLLOKOSA-N 0 0 391.475 3.534 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N(CCC(=O)NC3CC3)CC(C)C)no2)cc1C ZINC000036001655 221837037 /nfs/dbraw/zinc/83/70/37/221837037.db2.gz LIFZZDYWELZRQV-UHFFFAOYSA-N 0 0 383.492 3.725 10 0 GHAERN CCNC(=O)N1CCS[C@@]12c1cc(C)ccc1N(Cc1ccccc1F)C2=O ZINC000036161990 221844964 /nfs/dbraw/zinc/84/49/64/221844964.db2.gz FCFRNFDBYWYSRG-OAQYLSRUSA-N 0 0 399.491 3.612 10 0 GHAERN COc1cc(/C=C/CO)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000049181063 221997710 /nfs/dbraw/zinc/99/77/10/221997710.db2.gz CZVGIALASULOAU-LFAOLKIESA-N 0 0 388.460 3.737 10 0 GHAERN O=S(=O)(NCc1ccccc1)c1ccc(-c2nnc(C3CCCC3)o2)s1 ZINC000064920742 222088264 /nfs/dbraw/zinc/08/82/64/222088264.db2.gz FZBYYDLFYKRPKF-UHFFFAOYSA-N 0 0 389.502 3.934 10 0 GHAERN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cccc(Br)n1 ZINC000095075109 222328459 /nfs/dbraw/zinc/32/84/59/222328459.db2.gz SERGBQBAZYKPMS-CYBMUJFWSA-N 0 0 384.318 3.927 10 0 GHAERN COc1nc2ccccc2nc1N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076521 222328911 /nfs/dbraw/zinc/32/89/11/222328911.db2.gz GUAKTFIYDGLBSG-OAHLLOKOSA-N 0 0 386.496 3.722 10 0 GHAERN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cn1 ZINC000095075536 222329386 /nfs/dbraw/zinc/32/93/86/222329386.db2.gz HLXOCYQRKCNRKP-UHFFFAOYSA-N 0 0 384.318 3.927 10 0 GHAERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@]1(C)C(=O)NC1CCCCC1 ZINC000095571948 222356533 /nfs/dbraw/zinc/35/65/33/222356533.db2.gz WRMNTMIZEUMXFM-IBGZPJMESA-N 0 0 398.956 3.641 10 0 GHAERN CCOC(=O)c1cn(Cc2ccccc2)c2ccc(Br)cc2c1=O ZINC000057344121 521567425 /nfs/dbraw/zinc/56/74/25/521567425.db2.gz MBLDIQVRHSQGQK-UHFFFAOYSA-N 0 0 386.245 3.989 10 0 GHAERN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc3c(c2)OCO3)N1c1ccccn1 ZINC000006400164 534853913 /nfs/dbraw/zinc/85/39/13/534853913.db2.gz JRLBDQVSTBUENA-FQEVSTJZSA-N 0 0 398.374 3.667 10 0 GHAERN CC(=O)Oc1cc(C)c(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)c1 ZINC000077269731 527118179 /nfs/dbraw/zinc/11/81/79/527118179.db2.gz ANUDIDCCGVOCOU-KRWDZBQOSA-N 0 0 390.480 3.957 10 0 in-vitro GHAERN Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NCc1ccccc1 ZINC000005058129 570408068 /nfs/dbraw/zinc/40/80/68/570408068.db2.gz BCLKRTYNEDFGBE-MHZLTWQESA-N 0 0 382.485 3.524 10 0 aggregator GHAERN CCCN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C(=O)C(C)C ZINC000036313268 570611422 /nfs/dbraw/zinc/61/14/22/570611422.db2.gz ITMWOVBSTZOPGH-UHFFFAOYSA-N 0 0 389.471 3.712 10 0 GHAERN Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000006818502 570620307 /nfs/dbraw/zinc/62/03/07/570620307.db2.gz UAEVSNBAZGSUCX-GOSISDBHSA-N 0 0 386.498 3.715 10 0 GHAERN COc1cccc(-n2cc(C(=O)NCCCOC(C)C)c3ccccc3c2=O)c1 ZINC000006892591 570690335 /nfs/dbraw/zinc/69/03/35/570690335.db2.gz MAWDCHVFOJCBNS-UHFFFAOYSA-N 0 0 394.471 3.544 10 0 GHAERN O=C(c1ccccn1)N1CCC[C@]2(C1)Nc1ccccc1NC2=NC1CCCC1 ZINC000065259988 570761765 /nfs/dbraw/zinc/76/17/65/570761765.db2.gz KESWULVMOIHOFD-HSZRJFAPSA-N 0 0 389.503 3.744 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@H]2CCSc3ccc(F)cc32)c2ccccc2)[nH]1 ZINC000105094726 837517287 /nfs/dbraw/zinc/51/72/87/837517287.db2.gz XWCRCCVBSTUXAK-WMZOPIPTSA-N 0 0 397.479 3.878 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176439661 837583392 /nfs/dbraw/zinc/58/33/92/837583392.db2.gz JBLLLABWEGPENJ-IIDMSEBBSA-N 0 0 386.446 3.750 10 0 GHAERN O=C(c1cc(Br)cs1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176434077 837583809 /nfs/dbraw/zinc/58/38/09/837583809.db2.gz BHTZWGPIXFGXQE-LBPRGKRZSA-N 0 0 395.326 3.806 10 0 GHAERN CC(C)C(=O)Nc1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000105987067 837672849 /nfs/dbraw/zinc/67/28/49/837672849.db2.gz MIHKAHRCEPUGPE-UHFFFAOYSA-N 0 0 399.516 3.834 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)CCO2)o1 ZINC000156647606 834485239 /nfs/dbraw/zinc/48/52/39/834485239.db2.gz ZNWVQMKTDAYMGF-IBGZPJMESA-N 0 0 391.414 3.515 10 0 GHAERN Cc1csc(C2CCN([C@@H](C)C(=O)N[C@H]3CCOc4ccccc43)CC2)n1 ZINC000156679897 834499531 /nfs/dbraw/zinc/49/95/31/834499531.db2.gz HOAYTYGQNBRRKD-YJBOKZPZSA-N 0 0 385.533 3.659 10 0 GHAERN Cc1c(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)sc2nc3n(c(=O)c12)CCC3 ZINC000329243272 834607159 /nfs/dbraw/zinc/60/71/59/834607159.db2.gz STWLTODDCCLKES-HZPDHXFCSA-N 0 0 393.512 3.779 10 0 GHAERN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000003044525 834719313 /nfs/dbraw/zinc/71/93/13/834719313.db2.gz GYQGYDZAOBMHEU-QGZVFWFLSA-N 0 0 397.434 3.867 10 0 GHAERN COC(=O)Cc1cccc(NC(=O)/C=C\c2ccc3ccc(Cl)cc3n2)n1 ZINC000588582793 835059043 /nfs/dbraw/zinc/05/90/43/835059043.db2.gz CUNCQYFVPNXIRR-KTKRTIGZSA-N 0 0 381.819 3.651 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)Nc3cc(Cl)c(C)c(Cl)c3)CCO2)c1 ZINC000112126217 835051654 /nfs/dbraw/zinc/05/16/54/835051654.db2.gz KVADGJPGFBPOOZ-CQSZACIVSA-N 0 0 383.279 3.740 10 0 GHAERN CSc1ccc(O[C@H](C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000157742077 835079403 /nfs/dbraw/zinc/07/94/03/835079403.db2.gz LCGHNGCLEDTHIY-MRXNPFEDSA-N 0 0 385.533 3.664 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H](NC(=O)N2CCC(C)(C)S(=O)(=O)CC2)C1 ZINC000333099353 844021833 /nfs/dbraw/zinc/02/18/33/844021833.db2.gz PQUZRGNVLKDMPW-SFHVURJKSA-N 0 0 392.565 3.699 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)C2)sc1C ZINC000329668598 835581124 /nfs/dbraw/zinc/58/11/24/835581124.db2.gz RBWHKJVEMKBZTK-DLBZAZTESA-N 0 0 391.581 3.893 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2oc3ccc(Br)cc3c2C)C[C@H]1C ZINC000187894469 835749795 /nfs/dbraw/zinc/74/97/95/835749795.db2.gz PHLPLFCBLNKYBQ-MFKMUULPSA-N 0 0 394.265 3.775 10 0 GHAERN COc1ccc(C2=N/C(=C/c3cc(Br)ccc3OC)C(=O)O2)cc1 ZINC000001511730 835763960 /nfs/dbraw/zinc/76/39/60/835763960.db2.gz FAMBMJFQEBYVCD-XNTDXEJSSA-N 0 0 388.217 3.811 10 0 GHAERN O=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Oc2ccccn2)CC1 ZINC000329781758 835944474 /nfs/dbraw/zinc/94/44/74/835944474.db2.gz NKWTVUPZIKHOES-UHFFFAOYSA-N 0 0 380.492 3.541 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)[C@H](c2ccco2)C1 ZINC000246201173 836022162 /nfs/dbraw/zinc/02/21/62/836022162.db2.gz MXKIWYLJPKTHNE-PVAVHDDUSA-N 0 0 388.489 3.681 10 0 GHAERN C[C@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)[C@@H]1CO ZINC000408419353 844224653 /nfs/dbraw/zinc/22/46/53/844224653.db2.gz JPADUIBDOWFIAM-ISVAXAHUSA-N 0 0 379.657 3.866 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]2C ZINC000408419969 844233899 /nfs/dbraw/zinc/23/38/99/844233899.db2.gz QJMAQKNYHRHPSC-IHRRRGAJSA-N 0 0 387.450 3.856 10 0 GHAERN Cc1noc(CSc2ccccc2C(=O)N2CC[C@H](Nc3ccccc3)C2)n1 ZINC000103953027 837370170 /nfs/dbraw/zinc/37/01/70/837370170.db2.gz KPGDRWYZESCXGW-KRWDZBQOSA-N 0 0 394.500 3.997 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000177175909 837939760 /nfs/dbraw/zinc/93/97/60/837939760.db2.gz FAYPSGVKEYVFLL-SJORKVTESA-N 0 0 382.479 3.986 10 0 GHAERN Cn1c2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@H]3O)cc2nc1C(F)F ZINC000407965534 838270512 /nfs/dbraw/zinc/27/05/12/838270512.db2.gz VXZNMTIIEUAKEP-YSVLISHTSA-N 0 0 377.435 3.667 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Br)c2)[nH]1 ZINC000407978773 838365138 /nfs/dbraw/zinc/36/51/38/838365138.db2.gz GLCIWRHAVXFYSR-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1cccc(Oc2ccccc2CNC(=O)N2CCC(n3cncn3)CC2)c1 ZINC000106567146 838551598 /nfs/dbraw/zinc/55/15/98/838551598.db2.gz BIESYXBWNJTQIK-UHFFFAOYSA-N 0 0 391.475 3.926 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1Cl)CCCC2 ZINC000408025393 838685390 /nfs/dbraw/zinc/68/53/90/838685390.db2.gz BHRKEMCWJYXSBZ-MRXNPFEDSA-N 0 0 397.903 3.617 10 0 GHAERN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000588383506 839879277 /nfs/dbraw/zinc/87/92/77/839879277.db2.gz VKELKWQGAXBASH-DLBZAZTESA-N 0 0 389.503 3.627 10 0 GHAERN C[C@@H](NCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1)c1ccc(-c2ccncc2)cc1 ZINC000588383507 839879547 /nfs/dbraw/zinc/87/95/47/839879547.db2.gz VKELKWQGAXBASH-IAGOWNOFSA-N 0 0 389.503 3.627 10 0 GHAERN CCN(Cc1ccccc1NC(=O)/C=C\c1ccncn1)C(=O)OC(C)(C)C ZINC000588393269 840400157 /nfs/dbraw/zinc/40/01/57/840400157.db2.gz AZJRGRBGXFXEDD-KHPPLWFESA-N 0 0 382.464 3.886 10 0 GHAERN O=S(=O)(CC1CCCCC1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000408436710 844534795 /nfs/dbraw/zinc/53/47/95/844534795.db2.gz HUJWOLFVZWWKRV-CYBMUJFWSA-N 0 0 379.448 3.518 10 0 GHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)C(=O)Nc1nc3ccccc3s1)C2 ZINC000106371848 840929800 /nfs/dbraw/zinc/92/98/00/840929800.db2.gz BEFBEYCSOIVWNG-CYBMUJFWSA-N 0 0 383.521 3.539 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCN3CCCC[C@@H]3C2)s1)c1ccccc1 ZINC000106952220 841157999 /nfs/dbraw/zinc/15/79/99/841157999.db2.gz IINLUJZIWFCBOV-IAGOWNOFSA-N 0 0 385.537 3.782 10 0 GHAERN Cc1cnn([C@@H]2CCCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)C2)c1 ZINC000301391702 841178216 /nfs/dbraw/zinc/17/82/16/841178216.db2.gz HKZHPPBCYHMXTA-MRXNPFEDSA-N 0 0 382.468 3.943 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](c3ccc(F)cc3)C3CCC3)C2)nn1 ZINC000332871461 844616612 /nfs/dbraw/zinc/61/66/12/844616612.db2.gz CGHUBSMPWOHOCN-CTNGQTDRSA-N 0 0 397.498 3.734 10 0 GHAERN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCO[C@H]3CCCC[C@H]32)o1 ZINC000328771426 841227568 /nfs/dbraw/zinc/22/75/68/841227568.db2.gz RGKZRVHPRMVIGS-SJORKVTESA-N 0 0 380.448 3.843 10 0 GHAERN CCOC(=O)[C@H](OC(=O)/C=C\c1ccnc(Cl)c1)c1ccc(F)c(F)c1 ZINC000588411645 841371287 /nfs/dbraw/zinc/37/12/87/841371287.db2.gz KEKQDEMEVNEZIK-GPCFVJJQSA-N 0 0 381.762 3.874 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)c3cc4c(ccc(Cl)c4Cl)[nH]3)CCO2)c1 ZINC000329248683 861199675 /nfs/dbraw/zinc/19/96/75/861199675.db2.gz SPTJASFBPUNYRS-LBPRGKRZSA-N 0 0 393.274 3.521 10 0 GHAERN CCOc1cc(/C=C\C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000588413801 841450498 /nfs/dbraw/zinc/45/04/98/841450498.db2.gz KTVBATIHHFOIPP-PKLKXNPJSA-N 0 0 385.435 3.932 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000408167345 841631945 /nfs/dbraw/zinc/63/19/45/841631945.db2.gz DDVVSWQQSDKMLU-ZDUSSCGKSA-N 0 0 378.379 3.727 10 0 GHAERN C[C@@H](OC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)c1nc2ccccc2o1 ZINC000588419896 841839926 /nfs/dbraw/zinc/83/99/26/841839926.db2.gz NBFLTXAXONDPHN-KIWPFMIBSA-N 0 0 386.429 3.517 10 0 GHAERN Cc1nc(NC(=O)N2CCc3c(nc(C(C)C)n3C)C2)ccc1Br ZINC000128552176 842045539 /nfs/dbraw/zinc/04/55/39/842045539.db2.gz HDDHRMJLNBNHGV-UHFFFAOYSA-N 0 0 392.301 3.600 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)c1nnc2n1CCCC2 ZINC000247253089 842192518 /nfs/dbraw/zinc/19/25/18/842192518.db2.gz YLNASRLVRUAAFW-CQDKDKBSSA-N 0 0 378.398 3.614 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)C2)no1 ZINC000171244450 842378587 /nfs/dbraw/zinc/37/85/87/842378587.db2.gz ZDLFTESILPWPNG-WCQYABFASA-N 0 0 398.290 3.933 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N1CCCCC[C@@H]1c1ncon1)O[C@@H](C)C2 ZINC000588433407 842417313 /nfs/dbraw/zinc/41/73/13/842417313.db2.gz DADKWQOABBSMNK-QLSXZMNESA-N 0 0 397.475 3.949 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000408196460 842426129 /nfs/dbraw/zinc/42/61/29/842426129.db2.gz CKPSVNOMWGFBQC-GOSISDBHSA-N 0 0 393.915 3.855 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000588434056 842435424 /nfs/dbraw/zinc/43/54/24/842435424.db2.gz SHMQMKUTQYAOTN-PLNGDYQASA-N 0 0 391.468 3.760 10 0 GHAERN Cc1sc(-c2ccco2)nc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434412 842491262 /nfs/dbraw/zinc/49/12/62/842491262.db2.gz JCLJENISWPZHLN-WAYWQWQTSA-N 0 0 377.466 3.522 10 0 GHAERN Cc1nc(-c2ccccc2)sc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434792 842515123 /nfs/dbraw/zinc/51/51/23/842515123.db2.gz YYWGDSFQLAJNSZ-HJWRWDBZSA-N 0 0 387.505 3.929 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)no1 ZINC000329354556 861319228 /nfs/dbraw/zinc/31/92/28/861319228.db2.gz FJDLKIFFAWCRPP-MRXNPFEDSA-N 0 0 385.855 3.811 10 0 GHAERN O=C(NCc1cn2c(n1)CCCC2)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000408346008 842658167 /nfs/dbraw/zinc/65/81/67/842658167.db2.gz NYDWYLVKIPJKPZ-UHFFFAOYSA-N 0 0 379.291 3.794 10 0 GHAERN COc1ccc(C=C(C)C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)cc1F ZINC000588437424 842718673 /nfs/dbraw/zinc/71/86/73/842718673.db2.gz GPTPTTALWGVDGD-RAXLEYEMSA-N 0 0 393.418 3.935 10 0 GHAERN Cc1nn(C)c2sc(C(=O)N3CCC[C@H]3c3nc4c(n3C)CCCC4)cc12 ZINC000279228246 842738697 /nfs/dbraw/zinc/73/86/97/842738697.db2.gz PVTIEANDEKKCTO-INIZCTEOSA-N 0 0 383.521 3.533 10 0 GHAERN O=C(/C=C\c1ccncn1)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000588440016 842748641 /nfs/dbraw/zinc/74/86/41/842748641.db2.gz PLAGSPFARJXBEV-OMVNSRBRSA-N 0 0 378.259 3.867 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2occc2COc2ccccc2)CC1 ZINC000162453972 843255122 /nfs/dbraw/zinc/25/51/22/843255122.db2.gz WKKALQCKMXYEEB-UHFFFAOYSA-N 0 0 379.460 3.687 10 0 GHAERN COc1cc(N)c(Cl)cc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000162572885 843268370 /nfs/dbraw/zinc/26/83/70/843268370.db2.gz ORIXJYIGWVKGOE-VIFPVBQESA-N 0 0 390.802 3.611 10 0 GHAERN COc1cccc(Oc2ncccc2CNC(=O)/C=C\c2ncccc2C)c1 ZINC000588453211 843312336 /nfs/dbraw/zinc/31/23/36/843312336.db2.gz VNSDQXYULWZEMV-KHPPLWFESA-N 0 0 375.428 3.916 10 0 GHAERN CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)/C=C\c1ncccc1C)C1CC1 ZINC000588452869 843315846 /nfs/dbraw/zinc/31/58/46/843315846.db2.gz CTNWDVZQFZIPOO-DZFTYQQFSA-N 0 0 378.472 3.569 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC(C)(C)COc1ncccc1Br ZINC000588453591 843325227 /nfs/dbraw/zinc/32/52/27/843325227.db2.gz VLPGBYUKERATMP-HJWRWDBZSA-N 0 0 390.281 3.535 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000588454907 843349496 /nfs/dbraw/zinc/34/94/96/843349496.db2.gz VXBKIZZGZCPYEG-CNZFZVQHSA-N 0 0 387.277 3.766 10 0 GHAERN Cc1cccnc1C=CC(=O)Nc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000588455021 843351328 /nfs/dbraw/zinc/35/13/28/843351328.db2.gz KWUYYCSHQMVFCT-HJWRWDBZSA-N 0 0 384.237 3.590 10 0 GHAERN C[C@@H]1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C[C@@H](C)C1 ZINC000123894068 843456905 /nfs/dbraw/zinc/45/69/05/843456905.db2.gz BGPDRJVZVFRTQA-CABCVRRESA-N 0 0 381.542 3.663 10 0 GHAERN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[C@@H]2CCC[C@H]21 ZINC000330288815 843516520 /nfs/dbraw/zinc/51/65/20/843516520.db2.gz BTMFABGNFHHBQR-CMPLNLGQSA-N 0 0 396.310 3.894 10 0 GHAERN O=C(/C=C\c1ccc(Cl)cc1)N1CCCC[C@@H]1C(=O)OCc1cncs1 ZINC000588458030 843527989 /nfs/dbraw/zinc/52/79/89/843527989.db2.gz WLTGZMDJMSNSFO-UXHZXRBQSA-N 0 0 390.892 3.934 10 0 GHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000332946330 844670544 /nfs/dbraw/zinc/67/05/44/844670544.db2.gz WIWILSWQYPOZGB-CABCVRRESA-N 0 0 399.461 3.625 10 0 GHAERN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332966160 845065426 /nfs/dbraw/zinc/06/54/26/845065426.db2.gz UHXYBSLZTIFAPW-KOJWFEOWSA-N 0 0 382.426 3.898 10 0 GHAERN CCC1(CC)CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC[S@@]1=O ZINC000588486176 845105223 /nfs/dbraw/zinc/10/52/23/845105223.db2.gz QQTHMDHRTDNCKG-LOPAWYLXSA-N 0 0 385.476 3.841 10 0 GHAERN O=C(NCCc1nc2cc(Cl)ccc2s1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332973103 845147478 /nfs/dbraw/zinc/14/74/78/845147478.db2.gz QBVGPRKPOBUZCK-YJYMSZOUSA-N 0 0 393.940 3.829 10 0 GHAERN Cc1cccc2c1ncnc2N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000329493103 861537313 /nfs/dbraw/zinc/53/73/13/861537313.db2.gz ZXTMZVJWWJVYMY-QGZVFWFLSA-N 0 0 375.476 3.591 10 0 GHAERN Cc1ccc(NC(=O)N2CCCCC(C)(C)C2)cc1N1CCCS1(=O)=O ZINC000408441195 845191873 /nfs/dbraw/zinc/19/18/73/845191873.db2.gz CQQUKFNQZPCGLF-UHFFFAOYSA-N 0 0 379.526 3.579 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000249036064 845493045 /nfs/dbraw/zinc/49/30/45/845493045.db2.gz XJBVYUIRBJCPQW-XZJROXQQSA-N 0 0 397.397 3.879 10 0 GHAERN O=C(NCc1nc(-c2ccccc2F)cs1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333008338 845511656 /nfs/dbraw/zinc/51/16/56/845511656.db2.gz QEIRHYGVJQWJAM-VLIAUNLRSA-N 0 0 389.496 3.786 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1)c1cccs1 ZINC000333011747 845521872 /nfs/dbraw/zinc/52/18/72/845521872.db2.gz RWSOTTJFSHSROO-HZPDHXFCSA-N 0 0 386.521 3.667 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Nc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000102956858 845623796 /nfs/dbraw/zinc/62/37/96/845623796.db2.gz YWVYTUNAFKRSSQ-UHFFFAOYSA-N 0 0 395.459 3.627 10 0 GHAERN COc1ccc(OC(=O)C2CCN(C(=O)c3ccccn3)CC2)c(C(C)(C)C)c1 ZINC000152049397 846175478 /nfs/dbraw/zinc/17/54/78/846175478.db2.gz MCJNQPRGKWDJAA-UHFFFAOYSA-N 0 0 396.487 3.846 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000118672580 847033869 /nfs/dbraw/zinc/03/38/69/847033869.db2.gz AVTAHMUQJYNMDO-RBSFLKMASA-N 0 0 391.302 3.672 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C12CCCC2 ZINC000329604351 861751570 /nfs/dbraw/zinc/75/15/70/861751570.db2.gz YWRVJHZUDADFGG-ZWKOTPCHSA-N 0 0 386.471 3.525 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc2ccccc21 ZINC000152530351 847266217 /nfs/dbraw/zinc/26/62/17/847266217.db2.gz YSZKRTOQIMKKAO-QGZVFWFLSA-N 0 0 387.483 3.964 10 0 GHAERN CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000329634590 861854636 /nfs/dbraw/zinc/85/46/36/861854636.db2.gz XPJIWPPVIFXZNE-GOSISDBHSA-N 0 0 391.519 3.996 10 0 GHAERN Cc1ccccc1C(=O)NC1CCN(Cc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000153283013 848343337 /nfs/dbraw/zinc/34/33/37/848343337.db2.gz QXLKFQMZKWCKMH-UHFFFAOYSA-N 0 0 388.943 3.900 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(-c4ccccc4C)nn3C)CCO2)o1 ZINC000153400062 848444503 /nfs/dbraw/zinc/44/45/03/848444503.db2.gz YHRCHJKRMYKNNV-LJQANCHMSA-N 0 0 380.448 3.902 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CC[C@]2(CCOC2)C1 ZINC000153443952 848511252 /nfs/dbraw/zinc/51/12/52/848511252.db2.gz VMOPGPYHQGVQBO-BWDYHRDRSA-N 0 0 389.345 3.542 10 0 GHAERN COc1ccc(-c2nnc(CNC(=O)c3ccc4nc(Cl)ccc4c3)[nH]2)cc1 ZINC000103533220 881341999 /nfs/dbraw/zinc/34/19/99/881341999.db2.gz CYQLVOASSXBVPV-UHFFFAOYSA-N 0 0 393.834 3.612 10 0 GHAERN Cc1coc(-c2cc(NC(=O)NCCC(=O)Nc3ccc(C)cn3)ccc2C)n1 ZINC000154115483 849191262 /nfs/dbraw/zinc/19/12/62/849191262.db2.gz JOHXQVOJFUDTRL-UHFFFAOYSA-N 0 0 393.447 3.812 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)[C@H]1CCCc2c1cnn2C ZINC000155004563 849431062 /nfs/dbraw/zinc/43/10/62/849431062.db2.gz AGMNCEOVASWNDA-ARKBFRDHSA-N 0 0 389.503 3.772 10 0 GHAERN COc1ccc(CCCC(=O)NC2CCN(c3cccc(C)n3)CC2)c(OC)c1 ZINC000155154198 849464699 /nfs/dbraw/zinc/46/46/99/849464699.db2.gz MAKZWQLTPHPKTP-UHFFFAOYSA-N 0 0 397.519 3.515 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155943445 849711224 /nfs/dbraw/zinc/71/12/24/849711224.db2.gz WSBUEEWATXYPSJ-ZBFHGGJFSA-N 0 0 393.553 3.527 10 0 GHAERN Cc1ccc(F)c(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c3c2CCC3)c1 ZINC000333786550 851118910 /nfs/dbraw/zinc/11/89/10/851118910.db2.gz VMXGRAZMEXPJBB-HJPURHCSSA-N 0 0 397.494 3.576 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1cccc(Cl)c1 ZINC000101582087 851691820 /nfs/dbraw/zinc/69/18/20/851691820.db2.gz WYRPDUUWKUBTDC-UHFFFAOYSA-N 0 0 380.828 3.655 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(-n2ccnc2)c1 ZINC000120736909 851713481 /nfs/dbraw/zinc/71/34/81/851713481.db2.gz LUMAQJNZZBIMIZ-QLIIJSOBSA-N 0 0 380.492 3.580 10 0 GHAERN Cc1cccc(CNC(=O)NCC(C)(C)c2cccc(Br)c2)n1 ZINC000101626186 851744653 /nfs/dbraw/zinc/74/46/53/851744653.db2.gz NTPGEKJFNNDBAR-UHFFFAOYSA-N 0 0 376.298 3.930 10 0 GHAERN Cc1nc([C@@H]2CCCN2c2nnc(CC34CC5CC(CC(C5)C3)C4)n2C)no1 ZINC000329810371 862337060 /nfs/dbraw/zinc/33/70/60/862337060.db2.gz CJBNEXKTLZYSFO-HQHQJUQOSA-N 0 0 382.512 3.607 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3cccc(Cl)c3)C2)no1 ZINC000171360091 852593865 /nfs/dbraw/zinc/59/38/65/852593865.db2.gz NPIYIQGFTKCJIS-HNNXBMFYSA-N 0 0 390.915 3.973 10 0 GHAERN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000171526162 853138195 /nfs/dbraw/zinc/13/81/95/853138195.db2.gz FRRKIMATOHZUGU-LEWJYISDSA-N 0 0 395.551 3.576 10 0 GHAERN C[C@@]1(c2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)NC(=O)NC1=O ZINC000329962226 862462155 /nfs/dbraw/zinc/46/21/55/862462155.db2.gz PDRLLRPWWKRXAG-ZHRRBRCNSA-N 0 0 393.443 3.818 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCC2 ZINC000328976920 854638635 /nfs/dbraw/zinc/63/86/35/854638635.db2.gz DCBTUKIWBAXDOJ-BTHPGYMESA-N 0 0 389.540 3.738 10 0 GHAERN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000328985898 854641847 /nfs/dbraw/zinc/64/18/47/854641847.db2.gz UANZDYJZYATEKG-ZUCKAHLUSA-N 0 0 378.398 3.538 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccnc(N[C@H]2CCCO[C@@H]2C(C)C)n1 ZINC000330126401 862598010 /nfs/dbraw/zinc/59/80/10/862598010.db2.gz IRVNQQQUESZVHC-BBTUJRGHSA-N 0 0 398.555 3.784 10 0 GHAERN CC(C)(C)NC(=O)C[S@@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000105675229 855131182 /nfs/dbraw/zinc/13/11/82/855131182.db2.gz ZOEFNGVCHVSEQU-XMMPIXPASA-N 0 0 384.954 3.551 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1 ZINC000105972970 855159747 /nfs/dbraw/zinc/15/97/47/855159747.db2.gz GKDMBPIDOXWOJE-KBXCAEBGSA-N 0 0 392.434 3.917 10 0 GHAERN CCOc1ccc(CNC(=O)CCNC(=O)c2ccc3ccccc3c2)cc1F ZINC000105984933 855161501 /nfs/dbraw/zinc/16/15/01/855161501.db2.gz SUWSGNQBFYBGKS-UHFFFAOYSA-N 0 0 394.446 3.814 10 0 GHAERN CCOc1ccc(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1F ZINC000106033873 855170677 /nfs/dbraw/zinc/17/06/77/855170677.db2.gz WCPOALQZEMEEDE-UHFFFAOYSA-N 0 0 399.249 3.577 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000192365934 855794669 /nfs/dbraw/zinc/79/46/69/855794669.db2.gz IFTOJICKWXNNBJ-GVDBMIGSSA-N 0 0 390.871 3.654 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)C(C)(C)Oc3ccc(F)cc3)C2)c1 ZINC000102382740 856389999 /nfs/dbraw/zinc/38/99/99/856389999.db2.gz MSNQXUDXNYFTGM-INIZCTEOSA-N 0 0 386.467 3.634 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000247970840 862836765 /nfs/dbraw/zinc/83/67/65/862836765.db2.gz HICLVRHXDGSBIG-JFYQVNSESA-N 0 0 386.536 3.799 10 0 GHAERN CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218507 856970696 /nfs/dbraw/zinc/97/06/96/856970696.db2.gz LUFXBIJFTZCZHY-UYAOXDASSA-N 0 0 394.519 3.574 10 0 GHAERN O=C(NCc1cccnc1Oc1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000136782223 857243486 /nfs/dbraw/zinc/24/34/86/857243486.db2.gz NLSRSBBNOGFVEC-VGOFRKELSA-N 0 0 399.466 3.850 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000156692305 857808565 /nfs/dbraw/zinc/80/85/65/857808565.db2.gz JHGWRVBOEYHFKE-GOEBONIOSA-N 0 0 385.512 3.631 10 0 GHAERN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000023763950 860303635 /nfs/dbraw/zinc/30/36/35/860303635.db2.gz XKZJYUNLZVNHCR-PIGZYNQJSA-N 0 0 376.428 3.987 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC3(c4ccccc4)CCCC3)C2)no1 ZINC000170887599 860420973 /nfs/dbraw/zinc/42/09/73/860420973.db2.gz CXWJSHXNKSNNDR-GOSISDBHSA-N 0 0 382.508 3.854 10 0 GHAERN Cc1csc([C@H]2CCCN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C2)n1 ZINC000171236225 860423915 /nfs/dbraw/zinc/42/39/15/860423915.db2.gz PXBTUBGCUYCRAW-AWEZNQCLSA-N 0 0 384.461 3.610 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)C2)n1 ZINC000173070888 860435770 /nfs/dbraw/zinc/43/57/70/860435770.db2.gz PDJVKOWQVMORTF-PGRDOPGGSA-N 0 0 397.544 3.852 10 0 GHAERN Cc1nnc([C@@H]2CN(C(=O)c3ccc(-c4ccc(C)c(C)c4)cc3F)CCO2)[nH]1 ZINC000173086746 860436695 /nfs/dbraw/zinc/43/66/95/860436695.db2.gz XGZQFVHYTLZDOV-FQEVSTJZSA-N 0 0 394.450 3.750 10 0 GHAERN Cc1nnc([C@@H]2CN(C(=O)C3(c4cccc(Cl)c4)CCCCC3)CCO2)[nH]1 ZINC000173092490 860436817 /nfs/dbraw/zinc/43/68/17/860436817.db2.gz ZYHSBZQPUGWCID-KRWDZBQOSA-N 0 0 388.899 3.569 10 0 GHAERN O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173899162 860444300 /nfs/dbraw/zinc/44/43/00/860444300.db2.gz GJCXIPPPWSDKGU-HXUWFJFHSA-N 0 0 387.524 3.584 10 0 GHAERN COc1ccc(-c2cc(C(=O)N(C)C[C@@H]3CCCO3)nn2-c2ccccc2)cc1 ZINC000102897905 860618046 /nfs/dbraw/zinc/61/80/46/860618046.db2.gz BFFINXFDSZKLPV-FQEVSTJZSA-N 0 0 391.471 3.799 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc4oc(C)nc4c3)C2)c1 ZINC000102578278 860765436 /nfs/dbraw/zinc/76/54/36/860765436.db2.gz UXCHJCALKDNBAG-HNNXBMFYSA-N 0 0 380.448 3.793 10 0 GHAERN COc1ccc(-c2cnc(CN3C(=O)N[C@@](C)(c4ccccc4C)C3=O)o2)cc1 ZINC000102715863 860829630 /nfs/dbraw/zinc/82/96/30/860829630.db2.gz XYVOJQXZBCECSX-QFIPXVFZSA-N 0 0 391.427 3.626 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3ccc(F)c(NC(C)=O)c3)n2)c1 ZINC000102910800 860899076 /nfs/dbraw/zinc/89/90/76/860899076.db2.gz RSPYMPLYHWHIMJ-UHFFFAOYSA-N 0 0 386.408 3.564 10 0 GHAERN COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3(C)C)cc2)cc1 ZINC000102919701 860902540 /nfs/dbraw/zinc/90/25/40/860902540.db2.gz SMADFZMVMIHWEN-UHFFFAOYSA-N 0 0 388.489 3.511 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3ccc(OC)c(F)c3)o2)cc1 ZINC000102946564 860913441 /nfs/dbraw/zinc/91/34/41/860913441.db2.gz HLOOJTUWRFFLKA-SANMLTNESA-N 0 0 375.421 3.947 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000329023853 860953703 /nfs/dbraw/zinc/95/37/03/860953703.db2.gz IWRDFCJYDLDEGW-IKGGRYGDSA-N 0 0 393.409 3.749 10 0 GHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)cc(C)c1Br ZINC000329057699 860981264 /nfs/dbraw/zinc/98/12/64/860981264.db2.gz TUBVHHYGAVBSCH-RHSMWYFYSA-N 0 0 392.297 3.906 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000329107787 861024268 /nfs/dbraw/zinc/02/42/68/861024268.db2.gz PHFIFVOYEOUXAC-ZWKOTPCHSA-N 0 0 383.517 3.554 10 0 GHAERN CC(C)[C@H](c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C1=O ZINC000329220460 861161971 /nfs/dbraw/zinc/16/19/71/861161971.db2.gz BJNFIEJWNWXXHL-HSSOGYSNSA-N 0 0 384.476 3.750 10 0 GHAERN CN(C(=O)CCc1nc(-c2ccncc2)no1)[C@H](c1ccccc1)C(F)(F)F ZINC000103050073 863846346 /nfs/dbraw/zinc/84/63/46/863846346.db2.gz GADCLYUIBWPHTE-QGZVFWFLSA-N 0 0 390.365 3.826 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCCCc3nc4ccccc4[nH]3)c21 ZINC000103177369 863902466 /nfs/dbraw/zinc/90/24/66/863902466.db2.gz VEFFYBMQJNTBQF-UHFFFAOYSA-N 0 0 375.476 3.827 10 0 GHAERN O=C(C[S@](=O)Cc1coc(-c2ccc(F)c(F)c2)n1)Nc1ccccc1F ZINC000103224627 863914318 /nfs/dbraw/zinc/91/43/18/863914318.db2.gz SGDBVIBOMRXONN-MHZLTWQESA-N 0 0 394.374 3.646 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)c21 ZINC000103129585 863927145 /nfs/dbraw/zinc/92/71/45/863927145.db2.gz SGDWDZNTSASIQG-IBGZPJMESA-N 0 0 383.517 3.651 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)NC(C)C)cc3)c21 ZINC000103130197 863927732 /nfs/dbraw/zinc/92/77/32/863927732.db2.gz VLAPMVFUKVSIBG-UHFFFAOYSA-N 0 0 378.476 3.979 10 0 GHAERN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)C1 ZINC000103299964 863946816 /nfs/dbraw/zinc/94/68/16/863946816.db2.gz KANPXRSDIKHNJE-HLLBOEOZSA-N 0 0 393.503 3.622 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000103863568 864101527 /nfs/dbraw/zinc/10/15/27/864101527.db2.gz MBPQGONFXPTIQE-QGZVFWFLSA-N 0 0 385.483 3.545 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(-n3cccc3)c(F)c2)c(OCC(=O)N(C)C)c1 ZINC000104318730 864254641 /nfs/dbraw/zinc/25/46/41/864254641.db2.gz RZGYSQYITOFTEO-UHFFFAOYSA-N 0 0 395.434 3.644 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H]1c3ccccc3CCC1(C)C)CC2 ZINC000164655396 866109559 /nfs/dbraw/zinc/10/95/59/866109559.db2.gz IZOBAJPGKWJLCJ-XUVXKRRUSA-N 0 0 386.536 3.662 10 0 GHAERN COc1cccc(CNC(=O)NCCOc2ccccc2-c2ccccc2)n1 ZINC000102002661 866575901 /nfs/dbraw/zinc/57/59/01/866575901.db2.gz AKHWQEKREJSXOH-UHFFFAOYSA-N 0 0 377.444 3.635 10 0 GHAERN c1cnn(C[C@H]2CN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)CCO2)c1 ZINC000108949867 866577067 /nfs/dbraw/zinc/57/70/67/866577067.db2.gz ZJIXVSSYYHPYIC-OAHLLOKOSA-N 0 0 395.532 3.549 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000109674023 866600440 /nfs/dbraw/zinc/60/04/40/866600440.db2.gz YOMQWEBSUUJZMS-PMACEKPBSA-N 0 0 383.492 3.572 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)CC3CCC(c4ccccc4)CC3)CC2)n1 ZINC000110889967 866661550 /nfs/dbraw/zinc/66/15/50/866661550.db2.gz FAGURRJIKHTSBI-FQVISZRSSA-N 0 0 396.535 3.947 10 0 GHAERN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000111344246 866671715 /nfs/dbraw/zinc/67/17/15/866671715.db2.gz XSWFAGPEBXKPTE-SFHVURJKSA-N 0 0 392.546 3.953 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)c3[nH]c4ccc(Cl)cc4c3Cl)CCO2)c1 ZINC000112062845 866714985 /nfs/dbraw/zinc/71/49/85/866714985.db2.gz AJDSSBSGEYERLA-CYBMUJFWSA-N 0 0 393.274 3.521 10 0 GHAERN CCn1cc(CN2CCCN(C(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cn1 ZINC000112713987 866738507 /nfs/dbraw/zinc/73/85/07/866738507.db2.gz VYRZBJDFHKMGRQ-MRXNPFEDSA-N 0 0 389.931 3.535 10 0 GHAERN Cc1nc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nn1-c1ccccc1C(C)C ZINC000113892562 866761021 /nfs/dbraw/zinc/76/10/21/866761021.db2.gz QVGGAUWFGJGYEL-GOSISDBHSA-N 0 0 378.480 3.790 10 0 GHAERN CC1CCC(N2C[C@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)CC1 ZINC000115366661 866781336 /nfs/dbraw/zinc/78/13/36/866781336.db2.gz KDCLPFXHFXHSHW-MNAZLIDISA-N 0 0 375.538 3.624 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nn1-c1cc(C)cc(C)c1 ZINC000180205886 866899658 /nfs/dbraw/zinc/89/96/58/866899658.db2.gz KGHPSUTUKLVISX-XMSQKQJNSA-N 0 0 382.508 3.956 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H](C)[C@H]2CCCO2)C3)cs1 ZINC000180297236 867062604 /nfs/dbraw/zinc/06/26/04/867062604.db2.gz HRNKAYYODBXZPU-IAQYHMDHSA-N 0 0 377.535 3.815 10 0 GHAERN Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC[C@@H](c3nccs3)C2)C(C)C)c1 ZINC000170890876 882067577 /nfs/dbraw/zinc/06/75/77/882067577.db2.gz FQGFIZICNRDYJZ-QZTJIDSGSA-N 0 0 385.533 3.612 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151596546 868041364 /nfs/dbraw/zinc/04/13/64/868041364.db2.gz KBXDZFKOQVFYDK-IFXJQAMLSA-N 0 0 391.309 3.627 10 0 GHAERN O=C(c1cc2c(c(Br)c1)OCO2)N1CCC[C@H](c2nccs2)C1 ZINC000171724128 882157536 /nfs/dbraw/zinc/15/75/36/882157536.db2.gz VDJDJNDUMQIUPK-JTQLQIEISA-N 0 0 395.278 3.654 10 0 GHAERN CSc1ccc(CNC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000171850899 882163755 /nfs/dbraw/zinc/16/37/55/882163755.db2.gz IKNIIZUYRDOIOF-UHFFFAOYSA-N 0 0 389.546 3.528 10 0 GHAERN CCc1ccc(CNC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1 ZINC000171905283 882177934 /nfs/dbraw/zinc/17/79/34/882177934.db2.gz RIWIZAJZNIAPKQ-UHFFFAOYSA-N 0 0 384.524 3.565 10 0 GHAERN O=C(NC1(c2nccs2)CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172255623 882192369 /nfs/dbraw/zinc/19/23/69/882192369.db2.gz ILXLLSPNJVUJTO-UHFFFAOYSA-N 0 0 389.546 3.643 10 0 GHAERN O=C(NCc1cccc(CO)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172263984 882192807 /nfs/dbraw/zinc/19/28/07/882192807.db2.gz XPPIXPFTJHADAG-FQEVSTJZSA-N 0 0 390.487 3.658 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000181241320 868508183 /nfs/dbraw/zinc/50/81/83/868508183.db2.gz APKAEBFMTJADJA-ZTQAJYAQSA-N 0 0 378.900 3.890 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)CC2)n1 ZINC000172316844 882197942 /nfs/dbraw/zinc/19/79/42/882197942.db2.gz FBTRHAVTAQYRJO-UHFFFAOYSA-N 0 0 393.516 3.637 10 0 GHAERN CCO[C@H](C)c1nc(CN2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000172317582 882198636 /nfs/dbraw/zinc/19/86/36/882198636.db2.gz SRFOZNDKOWSCMG-MRXNPFEDSA-N 0 0 379.570 3.855 10 0 GHAERN O=c1[nH]c(CN2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481771 869214729 /nfs/dbraw/zinc/21/47/29/869214729.db2.gz GMIVGHJSAPHGIU-HNNXBMFYSA-N 0 0 391.500 3.754 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000172636299 882280965 /nfs/dbraw/zinc/28/09/65/882280965.db2.gz CVBZECZGOUALBM-VQTJNVASSA-N 0 0 398.478 3.596 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172685366 882285708 /nfs/dbraw/zinc/28/57/08/882285708.db2.gz XLGHRFOKHUQYAM-KRWDZBQOSA-N 0 0 379.504 3.935 10 0 GHAERN Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172601122 882300222 /nfs/dbraw/zinc/30/02/22/882300222.db2.gz AVAGFPUPZRERQU-MAUKXSAKSA-N 0 0 392.507 3.769 10 0 GHAERN Cc1ccccc1O[C@H](C)CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000172874741 882316743 /nfs/dbraw/zinc/31/67/43/882316743.db2.gz SBANYVYDZLNWMU-QGZVFWFLSA-N 0 0 398.478 3.570 10 0 GHAERN CCCOc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccnc2)c(C)c1 ZINC000172862922 882315329 /nfs/dbraw/zinc/31/53/29/882315329.db2.gz VIEMMNLAOQZPJK-HXUWFJFHSA-N 0 0 381.476 3.812 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000172898709 882322197 /nfs/dbraw/zinc/32/21/97/882322197.db2.gz XODONELCAFKCJO-GOSISDBHSA-N 0 0 385.533 3.777 10 0 GHAERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172893796 882322400 /nfs/dbraw/zinc/32/24/00/882322400.db2.gz KAZSXZVAIZDDBO-SFHVURJKSA-N 0 0 393.531 3.806 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccccc2N2C(=O)CCC2=O)CC[C@@H]1c1ccccc1 ZINC000173164477 882337173 /nfs/dbraw/zinc/33/71/73/882337173.db2.gz DSVISDZTRGUEPL-AEFFLSMTSA-N 0 0 391.471 3.998 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000173364547 882355887 /nfs/dbraw/zinc/35/58/87/882355887.db2.gz ZGZHUCHXGTZEBA-INIZCTEOSA-N 0 0 392.571 3.515 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CC=C(c4ccc(O)cc4)CC3)CC2)nc1 ZINC000173371364 882356941 /nfs/dbraw/zinc/35/69/41/882356941.db2.gz SBOUSEJDTNDFRW-UHFFFAOYSA-N 0 0 392.503 3.563 10 0 GHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173727899 882369626 /nfs/dbraw/zinc/36/96/26/882369626.db2.gz AKMFHKMMTGKRJN-SFHVURJKSA-N 0 0 383.496 3.538 10 0 GHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000173729251 882370061 /nfs/dbraw/zinc/37/00/61/882370061.db2.gz OEHXVDCPSDCPPA-YJBOKZPZSA-N 0 0 383.496 3.530 10 0 GHAERN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173511969 882374104 /nfs/dbraw/zinc/37/41/04/882374104.db2.gz HZPVCOFUHVKPKC-GJZGRUSLSA-N 0 0 375.494 3.508 10 0 GHAERN CC(C)Nc1ccc(F)cc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173509374 882375005 /nfs/dbraw/zinc/37/50/05/882375005.db2.gz MFCYYRYTGAIYFI-UHFFFAOYSA-N 0 0 384.455 3.532 10 0 GHAERN CN1CCCN(C(=O)c2cccc(CN3CCCC3=O)c2)c2cc(Cl)ccc21 ZINC000173540664 882377479 /nfs/dbraw/zinc/37/74/79/882377479.db2.gz NNHMFXUZYDOLHU-UHFFFAOYSA-N 0 0 397.906 3.949 10 0 GHAERN C[C@@H](NC(=O)Nc1ccccc1CN1CCNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000183964741 870180421 /nfs/dbraw/zinc/18/04/21/870180421.db2.gz XEZYHTUXLJFANO-LRYXAPPNSA-N 0 0 396.535 3.938 10 0 GHAERN O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1cc(Br)cnc1Cl ZINC000173774749 882401783 /nfs/dbraw/zinc/40/17/83/882401783.db2.gz BBLLVDHYBZVJGN-QWHCGFSZSA-N 0 0 383.677 3.608 10 0 GHAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000046494422 870434215 /nfs/dbraw/zinc/43/42/15/870434215.db2.gz RYKXMDBRAYRXRE-RTWAWAEBSA-N 0 0 390.487 3.902 10 0 GHAERN O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000047217486 870462407 /nfs/dbraw/zinc/46/24/07/870462407.db2.gz HTKPVAROJXKMHM-IAGOWNOFSA-N 0 0 390.281 3.623 10 0 GHAERN O=c1nc(CN2CCO[C@@H]3CCCC[C@@H]32)[nH]c2sc(-c3ccccc3)cc21 ZINC000103470059 870600498 /nfs/dbraw/zinc/60/04/98/870600498.db2.gz PXCHOMCNLOJSGJ-DLBZAZTESA-N 0 0 381.501 3.795 10 0 GHAERN CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114810319 870633680 /nfs/dbraw/zinc/63/36/80/870633680.db2.gz DINFQSYMRJAQFX-MRXNPFEDSA-N 0 0 386.521 3.940 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@H](c2nccs2)C1 ZINC000114825940 870750655 /nfs/dbraw/zinc/75/06/55/870750655.db2.gz FNUYYICETMBXMV-HOTGVXAUSA-N 0 0 388.512 3.698 10 0 GHAERN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)Nc2ccc(F)c(C)c2)cc1OC ZINC000103099834 871272266 /nfs/dbraw/zinc/27/22/66/871272266.db2.gz LNAARGHYHBSERQ-FZMZJTMJSA-N 0 0 386.423 3.998 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000248515086 871445016 /nfs/dbraw/zinc/44/50/16/871445016.db2.gz FOYQAZAJHFZYCS-OLMNPRSZSA-N 0 0 382.863 3.520 10 0 GHAERN O=C([C@H]1C[C@@]12CCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035242 882518936 /nfs/dbraw/zinc/51/89/36/882518936.db2.gz NGDBMYZTCLUVOD-ZJSXRUAMSA-N 0 0 380.532 3.532 10 0 GHAERN Fc1cccc(C[C@@H]2CCCN2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264065 871558557 /nfs/dbraw/zinc/55/85/57/871558557.db2.gz KLGYWMVEZFRWDB-FQEVSTJZSA-N 0 0 397.523 3.855 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000175416984 882555227 /nfs/dbraw/zinc/55/52/27/882555227.db2.gz HYMSHPZPFVFAJL-QHCPKHFHSA-N 0 0 391.471 3.935 10 0 GHAERN COc1ccc(CC2CCN(S(=O)(=O)Cc3ccc(Cl)nc3)CC2)cc1 ZINC000101576489 872113318 /nfs/dbraw/zinc/11/33/18/872113318.db2.gz LQMYVWGSRMNXKA-UHFFFAOYSA-N 0 0 394.924 3.528 10 0 GHAERN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)NCC(=O)N1CCc2ccccc21 ZINC000101844698 872321268 /nfs/dbraw/zinc/32/12/68/872321268.db2.gz GHOVJNKFDMGRSE-MDZDMXLPSA-N 0 0 391.858 3.607 10 0 GHAERN Cc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c2cnn(C)c2n1 ZINC000175628743 882606625 /nfs/dbraw/zinc/60/66/25/882606625.db2.gz CUCGPVOEDBDHMC-ACJLOTCBSA-N 0 0 384.867 3.532 10 0 GHAERN O=C(Nc1cc(-c2ccccc2)on1)C1CCN(C(=O)c2cccs2)CC1 ZINC000175869890 882608138 /nfs/dbraw/zinc/60/81/38/882608138.db2.gz VSPQPSOYEIPDNZ-UHFFFAOYSA-N 0 0 381.457 3.894 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Nc3cccc(-c4cccs4)c3)CC2)no1 ZINC000175882427 882610175 /nfs/dbraw/zinc/61/01/75/882610175.db2.gz NMSHNKAUXHNBJO-UHFFFAOYSA-N 0 0 397.504 3.846 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)Cc1cccs1 ZINC000175755973 882622921 /nfs/dbraw/zinc/62/29/21/882622921.db2.gz JWGWQYWWWWMQGJ-CVEARBPZSA-N 0 0 383.521 3.559 10 0 GHAERN O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cnccc1-c1cccc(F)c1 ZINC000176109612 882666659 /nfs/dbraw/zinc/66/66/59/882666659.db2.gz CNNAQDSDEODXRG-UHFFFAOYSA-N 0 0 385.345 3.534 10 0 GHAERN COC(=O)c1c(C)c(C)sc1NC(=O)Cc1c(C)nn(CC(C)C)c1C ZINC000105042285 873016989 /nfs/dbraw/zinc/01/69/89/873016989.db2.gz RVQVSOFTEHVIBD-UHFFFAOYSA-N 0 0 377.510 3.802 10 0 GHAERN CN(C(=O)c1cccc(CN2CCCC2=O)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000115148196 873047785 /nfs/dbraw/zinc/04/77/85/873047785.db2.gz ZWUMXAUIXHJANA-QFIPXVFZSA-N 0 0 391.515 3.550 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000176421127 882691550 /nfs/dbraw/zinc/69/15/50/882691550.db2.gz PJMXBXWSGQCJTN-CLHDZIPGSA-N 0 0 380.492 3.780 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc4c(c3)CCCN4C)C2)c1 ZINC000102534599 873255369 /nfs/dbraw/zinc/25/53/69/873255369.db2.gz HTLVIRXVXNFHJA-QGZVFWFLSA-N 0 0 394.519 3.726 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000116569533 873567260 /nfs/dbraw/zinc/56/72/60/873567260.db2.gz KVTMUFJGXXUWFO-XXBNENTESA-N 0 0 390.531 3.791 10 0 GHAERN O=C(NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1ccccc1F ZINC000117053498 873853517 /nfs/dbraw/zinc/85/35/17/873853517.db2.gz JDKSJTNUULHFJL-UHFFFAOYSA-N 0 0 384.495 3.763 10 0 GHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000117611443 874074506 /nfs/dbraw/zinc/07/45/06/874074506.db2.gz VPJQQMAJMJTWMW-PJSUUKDQSA-N 0 0 379.460 3.712 10 0 GHAERN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177508763 882809415 /nfs/dbraw/zinc/80/94/15/882809415.db2.gz QZNWINOCQDEINE-AWEZNQCLSA-N 0 0 398.513 3.611 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)Nc2cnccc2-c2cccc(F)c2)cc1 ZINC000177540998 882811998 /nfs/dbraw/zinc/81/19/98/882811998.db2.gz INGZDVLSYDMVQH-JXMROGBWSA-N 0 0 375.403 3.899 10 0 GHAERN CCOCCC1(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)CCCC1 ZINC000177620018 882837438 /nfs/dbraw/zinc/83/74/38/882837438.db2.gz USAWSROIHZYZEX-SFHVURJKSA-N 0 0 399.539 3.605 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)cc1C(=O)N(C)C ZINC000177948689 882851415 /nfs/dbraw/zinc/85/14/15/882851415.db2.gz KNSBUKJNHGESIO-UHFFFAOYSA-N 0 0 398.482 3.944 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NCc1cccnc1-n1cccn1)CCC2 ZINC000177845462 882867398 /nfs/dbraw/zinc/86/73/98/882867398.db2.gz ITKKQJKDVOLPJV-INIZCTEOSA-N 0 0 396.520 3.505 10 0 GHAERN O=C1Nc2ccccc2S[C@@H]1Cc1nc(-c2ccc(Br)o2)no1 ZINC000178278863 882881349 /nfs/dbraw/zinc/88/13/49/882881349.db2.gz OJGBSJXOKSTWAF-LLVKDONJSA-N 0 0 392.234 3.748 10 0 GHAERN O=C(CNC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1)Nc1ccccc1 ZINC000178108428 882886493 /nfs/dbraw/zinc/88/64/93/882886493.db2.gz TUWLNNUXGMDKNA-FQEVSTJZSA-N 0 0 394.862 3.762 10 0 GHAERN CC1(C)C[C@H](NC(=O)NCc2ccccc2N2CCOCC2)c2ccccc2O1 ZINC000178128438 882887565 /nfs/dbraw/zinc/88/75/65/882887565.db2.gz KAKLTJNUMLQDLN-IBGZPJMESA-N 0 0 395.503 3.625 10 0 GHAERN CC(=O)c1ccc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000119510004 875310942 /nfs/dbraw/zinc/31/09/42/875310942.db2.gz UIPHDMVERAIJOB-UHFFFAOYSA-N 0 0 385.508 3.844 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)[C@H]2CCc3ccccc32)c2ccccc2F)no1 ZINC000178890980 882961531 /nfs/dbraw/zinc/96/15/31/882961531.db2.gz AMILZHKMZKHBOV-OALUTQOASA-N 0 0 380.423 3.935 10 0 GHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000179301910 882987379 /nfs/dbraw/zinc/98/73/79/882987379.db2.gz DSGCGIUCQGBRPX-KSSFIOAISA-N 0 0 383.879 3.504 10 0 GHAERN CC[C@@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cc(C)ccc1OC ZINC000179526914 883007195 /nfs/dbraw/zinc/00/71/95/883007195.db2.gz XPQSOHKSPUCIPY-HXUWFJFHSA-N 0 0 396.487 3.945 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)Nc1nnc(/C=C/c2ccco2)s1 ZINC000179612502 883014166 /nfs/dbraw/zinc/01/41/66/883014166.db2.gz SYXHXIDRXWCKOU-HSBSLETESA-N 0 0 395.444 3.549 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000180143922 883062569 /nfs/dbraw/zinc/06/25/69/883062569.db2.gz NTNPWTWMHWAQDR-HUUCEWRRSA-N 0 0 397.306 3.783 10 0 GHAERN CCCOCCOC(=O)c1ccnc(N2CCC[C@@H](c3nccs3)C2)c1 ZINC000180227047 883068453 /nfs/dbraw/zinc/06/84/53/883068453.db2.gz FFSGCHWKWZEYBL-MRXNPFEDSA-N 0 0 375.494 3.506 10 0 GHAERN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000180292189 883073347 /nfs/dbraw/zinc/07/33/47/883073347.db2.gz DFBNFZZXHINJJV-UHFFFAOYSA-N 0 0 383.513 3.727 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CC[C@@H]3OCCC[C@H]3C2)ccc1OC(F)F ZINC000121464390 877097165 /nfs/dbraw/zinc/09/71/65/877097165.db2.gz OAFZPONKWYGJQQ-OHOWAWRESA-N 0 0 381.419 3.727 10 0 GHAERN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ncncc1Cl)OCCO3 ZINC000175116490 878228936 /nfs/dbraw/zinc/22/89/36/878228936.db2.gz IBFSRAOLZPBZNN-ZDUSSCGKSA-N 0 0 399.878 3.930 10 0 GHAERN CCc1ccc(-n2c(SCC(=O)NC(C)(C)C)nc3ccccc3c2=O)cc1 ZINC000003487681 879027712 /nfs/dbraw/zinc/02/77/12/879027712.db2.gz SYEVBUDPWFNNSU-UHFFFAOYSA-N 0 0 395.528 3.955 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H]4[C@H]4COCC[C@@]4(C)O)cc3c2C1 ZINC000285448471 879306794 /nfs/dbraw/zinc/30/67/94/879306794.db2.gz PXZXROSVWMWIGZ-IKHIKYAMSA-N 0 0 396.531 3.685 10 0 GHAERN Cc1nn(C)c(Cl)c1S(=O)(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000103498966 881232135 /nfs/dbraw/zinc/23/21/35/881232135.db2.gz KQCIRYJDXZDJGP-UHFFFAOYSA-N 0 0 389.908 3.624 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000181103503 883122518 /nfs/dbraw/zinc/12/25/18/883122518.db2.gz MXBZPRCIPZWTID-UHFFFAOYSA-N 0 0 388.422 3.721 10 0 GHAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000181738135 883176848 /nfs/dbraw/zinc/17/68/48/883176848.db2.gz ZUYKMPMFAJVOOJ-HNNXBMFYSA-N 0 0 380.391 3.565 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccncc1 ZINC000182404949 883218831 /nfs/dbraw/zinc/21/88/31/883218831.db2.gz PRVLLVKQOCBCJP-DYVFJYSZSA-N 0 0 379.382 3.945 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)NCc3cc4ccccc4o3)C2)c1 ZINC000102449250 883253919 /nfs/dbraw/zinc/25/39/19/883253919.db2.gz XOGKFVDTHOYLJZ-INIZCTEOSA-N 0 0 379.460 3.767 10 0 GHAERN Cc1cnc([C@@H](C)CNC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000183207435 883272758 /nfs/dbraw/zinc/27/27/58/883272758.db2.gz HIYIKDWTAKJMHC-ZDUSSCGKSA-N 0 0 376.501 3.980 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)CC2CCCCC2)c2ccc(F)cc2C1 ZINC000184011943 883297975 /nfs/dbraw/zinc/29/79/75/883297975.db2.gz QDDIVKDXDHHGAG-HXUWFJFHSA-N 0 0 375.488 3.841 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(Cl)s2)c2ccc(F)cc2C1 ZINC000184040962 883302448 /nfs/dbraw/zinc/30/24/48/883302448.db2.gz FYMJEQRORHOHQE-INIZCTEOSA-N 0 0 395.887 3.833 10 0 GHAERN CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183814359 883303583 /nfs/dbraw/zinc/30/35/83/883303583.db2.gz HRMJKNZDIMIRNP-GOSISDBHSA-N 0 0 380.536 3.746 10 0 GHAERN CC(C)CC(=O)N1CCC(CSCc2cc(-c3cnn(C)c3)no2)CC1 ZINC000184098416 883316479 /nfs/dbraw/zinc/31/64/79/883316479.db2.gz HZKVCVIJIZESNL-UHFFFAOYSA-N 0 0 376.526 3.593 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)c2ccc(F)cc2C1 ZINC000184112910 883320227 /nfs/dbraw/zinc/32/02/27/883320227.db2.gz LFBSLUVGZAZTOW-FQEVSTJZSA-N 0 0 397.425 3.598 10 0 GHAERN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184053114 883331197 /nfs/dbraw/zinc/33/11/97/883331197.db2.gz FJFYFNJKVOZBFL-UHFFFAOYSA-N 0 0 380.370 3.724 10 0 GHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184058549 883331813 /nfs/dbraw/zinc/33/18/13/883331813.db2.gz GTPYZYGJNUUCEW-YADHBBJMSA-N 0 0 397.490 3.890 10 0 GHAERN O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184058592 883331905 /nfs/dbraw/zinc/33/19/05/883331905.db2.gz GTPYZYGJNUUCEW-VXKWHMMOSA-N 0 0 397.490 3.890 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000184060372 883332614 /nfs/dbraw/zinc/33/26/14/883332614.db2.gz UGRWRJVNMLRQCS-MLGOLLRUSA-N 0 0 390.871 3.747 10 0 GHAERN CC(C)n1ncc2cc(CN3CCCN(c4ccccn4)CC3)c(Cl)nc21 ZINC000184804531 883382699 /nfs/dbraw/zinc/38/26/99/883382699.db2.gz RDVHGHFITMZNOJ-UHFFFAOYSA-N 0 0 384.915 3.773 10 0 GHAERN COc1ccc(C)cc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184831756 883384969 /nfs/dbraw/zinc/38/49/69/883384969.db2.gz MGEGXOLKQODDNW-GOSISDBHSA-N 0 0 385.439 3.758 10 0 GHAERN COc1ccc(-c2nc(C[S@](=O)CCC(Cl)(Cl)Cl)no2)cc1 ZINC000185091152 883417940 /nfs/dbraw/zinc/41/79/40/883417940.db2.gz SFEGHGQSELKWCG-JOCHJYFZSA-N 0 0 383.684 3.754 10 0 GHAERN CC(=O)N1CC[C@H](Nc2cc(C)nc(-c3ccncc3)n2)c2ccc(F)cc2C1 ZINC000185248739 883429564 /nfs/dbraw/zinc/42/95/64/883429564.db2.gz BFCMPUSKOKOXDN-FQEVSTJZSA-N 0 0 391.450 3.892 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2C1 ZINC000185516295 883548701 /nfs/dbraw/zinc/54/87/01/883548701.db2.gz WMCRMRCFALGJPA-LJQANCHMSA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCC(=O)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185519507 883550277 /nfs/dbraw/zinc/55/02/77/883550277.db2.gz CGPIMWZCBQUNQZ-OAQYLSRUSA-N 0 0 396.462 3.707 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)c2ccc(F)cc2C1 ZINC000185518576 883550522 /nfs/dbraw/zinc/55/05/22/883550522.db2.gz CJMOCKRAWWSHID-JOCHJYFZSA-N 0 0 391.446 3.840 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185540565 883552958 /nfs/dbraw/zinc/55/29/58/883552958.db2.gz RLFVZFDYTWUNHZ-VFNWGFHPSA-N 0 0 384.451 3.511 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)NCCc1cc(F)cc(F)c1 ZINC000102564489 883561027 /nfs/dbraw/zinc/56/10/27/883561027.db2.gz MQQVKACOFMBKHP-UHFFFAOYSA-N 0 0 389.377 3.843 10 0 GHAERN O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000185676524 883571979 /nfs/dbraw/zinc/57/19/79/883571979.db2.gz SZFVKPWLDVEQMY-LJQANCHMSA-N 0 0 398.470 3.882 10 0 GHAERN Cc1nc([C@H](NC(=O)N2Cc3ccccc3C3(CC3)C2)c2ccccc2F)no1 ZINC000185697792 883573814 /nfs/dbraw/zinc/57/38/14/883573814.db2.gz MJBBFXCQBFSFQT-LJQANCHMSA-N 0 0 392.434 3.864 10 0 GHAERN Cn1cc([C@H](NC(=O)N2CCC[C@@H](c3nccs3)C2)c2ccc(F)cc2)cn1 ZINC000185984182 883612431 /nfs/dbraw/zinc/61/24/31/883612431.db2.gz BBBIYMWJDBGXBM-CRAIPNDOSA-N 0 0 399.495 3.694 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186190591 883618879 /nfs/dbraw/zinc/61/88/79/883618879.db2.gz IAQCJOSDWYTDBE-XLIONFOSSA-N 0 0 399.560 3.655 10 0 GHAERN Cc1nccn1-c1ccc([C@@H](C)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000186243902 883625088 /nfs/dbraw/zinc/62/50/88/883625088.db2.gz XVWKXGVPFLXDDZ-FOIQADDNSA-N 0 0 381.501 3.750 10 0 GHAERN O=C(CCc1ccccc1Br)N1CCCN(c2ccccn2)CC1 ZINC000186432092 883644876 /nfs/dbraw/zinc/64/48/76/883644876.db2.gz ZPHKUPJOTKSPDQ-UHFFFAOYSA-N 0 0 388.309 3.516 10 0 GHAERN O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCCN(c2ccccn2)CC1 ZINC000186393697 883654787 /nfs/dbraw/zinc/65/47/87/883654787.db2.gz DWKPTGRHDWCAHZ-UHFFFAOYSA-N 0 0 386.402 3.517 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)ccc2NC1=O ZINC000186609505 883673347 /nfs/dbraw/zinc/67/33/47/883673347.db2.gz GQJTZDPMRALIBJ-OXJNMPFZSA-N 0 0 394.475 3.953 10 0 GHAERN COc1ccc(CC[C@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000186620564 883677706 /nfs/dbraw/zinc/67/77/06/883677706.db2.gz UFSMUECGFUXYND-HNNXBMFYSA-N 0 0 388.537 3.759 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3coc(-c4cccs4)n3)ccc2NC1=O ZINC000186644472 883680334 /nfs/dbraw/zinc/68/03/34/883680334.db2.gz YLQAKRIIGGAUAD-UHFFFAOYSA-N 0 0 383.433 3.702 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000186822584 883708429 /nfs/dbraw/zinc/70/84/29/883708429.db2.gz MUZWMWSWKFYJPD-QWHCGFSZSA-N 0 0 378.450 3.556 10 0 GHAERN Cc1csc([C@@H](C)CNC(=O)N2CCC(Nc3ccccc3F)CC2)n1 ZINC000186822056 883708680 /nfs/dbraw/zinc/70/86/80/883708680.db2.gz VTMWWPFPQZFEIU-ZDUSSCGKSA-N 0 0 376.501 3.980 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000186835520 883721419 /nfs/dbraw/zinc/72/14/19/883721419.db2.gz MNCSBCXSMNTTGW-NSHDSACASA-N 0 0 378.454 3.719 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000186851659 883723476 /nfs/dbraw/zinc/72/34/76/883723476.db2.gz SGAOYVRAZSVUTF-HXUWFJFHSA-N 0 0 386.473 3.549 10 0 GHAERN Cc1nnc([C@H](N[C@H](C)c2ncc(Br)cc2F)c2ccccc2)[nH]1 ZINC000187149708 883753558 /nfs/dbraw/zinc/75/35/58/883753558.db2.gz UMHJDOUFYZUTEF-QLJPJBMISA-N 0 0 390.260 3.850 10 0 GHAERN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000187239323 883774242 /nfs/dbraw/zinc/77/42/42/883774242.db2.gz QICCGBDPRDVNIB-SJORKVTESA-N 0 0 379.382 3.590 10 0 GHAERN CC(C)(C)c1csc(C2CCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)n1 ZINC000188387499 883838889 /nfs/dbraw/zinc/83/88/89/883838889.db2.gz RKWZWLBYKWHVPD-UHFFFAOYSA-N 0 0 383.517 3.955 10 0 GHAERN CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000188462947 883852347 /nfs/dbraw/zinc/85/23/47/883852347.db2.gz IHSGNEPUSGITSE-QAPCUYQASA-N 0 0 375.900 3.783 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188669930 883868653 /nfs/dbraw/zinc/86/86/53/883868653.db2.gz AZJRYCXENKSCRD-UHFFFAOYSA-N 0 0 393.900 3.863 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000188690589 883870343 /nfs/dbraw/zinc/87/03/43/883870343.db2.gz CRYWOQQRXLMOSA-SFHVURJKSA-N 0 0 392.459 3.504 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Br)[C@@H]2C ZINC000188820571 883887023 /nfs/dbraw/zinc/88/70/23/883887023.db2.gz JDVSSNKDXJPJHX-MMQHEFTJSA-N 0 0 389.297 3.781 10 0 GHAERN CCOC(=O)c1c(C)csc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000189222773 883914692 /nfs/dbraw/zinc/91/46/92/883914692.db2.gz IMTNWANEJSNETN-UHFFFAOYSA-N 0 0 394.522 3.798 10 0 GHAERN O=C(N[C@H]1CCO[C@H]1c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189438305 883954360 /nfs/dbraw/zinc/95/43/60/883954360.db2.gz NXWQMRZFUKXKRX-FPOVZHCZSA-N 0 0 378.472 3.795 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccc1F)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000189588137 883965697 /nfs/dbraw/zinc/96/56/97/883965697.db2.gz UBYJQKOIVWIMTC-QFIPXVFZSA-N 0 0 392.434 3.734 10 0 GHAERN CCOc1cc(Br)ccc1NC(=O)N1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000189769625 883993137 /nfs/dbraw/zinc/99/31/37/883993137.db2.gz XRPWPAHUACKLGO-DGCLKSJQSA-N 0 0 399.285 3.511 10 0 GHAERN CC1=NN(c2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2)CC1 ZINC000189784782 883994975 /nfs/dbraw/zinc/99/49/75/883994975.db2.gz ZBFJWNSYWBBRIN-UHFFFAOYSA-N 0 0 375.472 3.981 10 0 GHAERN CCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCOc4c(C)cccc43)ccc21 ZINC000189887590 884005345 /nfs/dbraw/zinc/00/53/45/884005345.db2.gz TWZHSHZTJOQNFW-SFHVURJKSA-N 0 0 379.460 3.939 10 0 GHAERN O=C(c1ccc(C2N=NC(=S)O2)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189811595 884011694 /nfs/dbraw/zinc/01/16/94/884011694.db2.gz ISMNGGIKCQYSIV-UHFFFAOYSA-N 0 0 393.468 3.734 10 0 GHAERN O=C(c1ccn(-c2ccc(F)cc2F)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189865151 884018953 /nfs/dbraw/zinc/01/89/53/884018953.db2.gz CNKNPXJHVIPYKZ-UHFFFAOYSA-N 0 0 395.409 3.859 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl ZINC000189938966 884024609 /nfs/dbraw/zinc/02/46/09/884024609.db2.gz XNVBATKAFRUPRV-KRWDZBQOSA-N 0 0 387.867 3.996 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1ccc2c(c1)NC(=O)C2 ZINC000190031292 884045428 /nfs/dbraw/zinc/04/54/28/884045428.db2.gz SCONMQFKEYOGJQ-JOCHJYFZSA-N 0 0 382.423 3.577 10 0 GHAERN O=C(c1ccc(N2CCCCCC2)nc1)N1CCC(Nc2nccs2)CC1 ZINC000190392869 884074636 /nfs/dbraw/zinc/07/46/36/884074636.db2.gz YUSKEEZADZQBAO-UHFFFAOYSA-N 0 0 385.537 3.635 10 0 GHAERN Cc1c(Br)cccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190445438 884082856 /nfs/dbraw/zinc/08/28/56/884082856.db2.gz QPXQIXNVHSXUEJ-UHFFFAOYSA-N 0 0 380.311 3.931 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2cnc3ccccc3c2)c2ccc(F)cc2C1 ZINC000190771579 884121114 /nfs/dbraw/zinc/12/11/14/884121114.db2.gz XHJJYIFHSLKUMG-QFIPXVFZSA-N 0 0 391.446 3.526 10 0 GHAERN CN(C)c1noc(C2CCN(Cc3csc(COc4ccccc4)n3)CC2)n1 ZINC000191909713 884219971 /nfs/dbraw/zinc/21/99/71/884219971.db2.gz QJDCWGILHREMDJ-UHFFFAOYSA-N 0 0 399.520 3.551 10 0 GHAERN CC(C)c1c(NC(=O)Nc2ccc(OCC(N)=O)cc2)cnn1-c1ccccc1 ZINC000192198202 884246027 /nfs/dbraw/zinc/24/60/27/884246027.db2.gz ZTKQILLMPLTAEW-UHFFFAOYSA-N 0 0 393.447 3.504 10 0 GHAERN CC(C)c1c(NC(=O)Nc2ccc(C(N)=O)c(F)c2)cnn1-c1ccccc1 ZINC000192213063 884258981 /nfs/dbraw/zinc/25/89/81/884258981.db2.gz HFVISCASTLRVLK-UHFFFAOYSA-N 0 0 381.411 3.878 10 0 GHAERN COc1ccc(Cl)c2c1N(C(=O)Cn1ccc(=O)c3ccccc31)CCC2 ZINC000102737459 884396209 /nfs/dbraw/zinc/39/62/09/884396209.db2.gz PNAYMZMMKAOTMM-UHFFFAOYSA-N 0 0 382.847 3.643 10 0 GHAERN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cc(F)ccc3Cl)cn2)C[C@H](C)O1 ZINC000102801352 884466376 /nfs/dbraw/zinc/46/63/76/884466376.db2.gz DKEYWUPSESSTPV-BETUJISGSA-N 0 0 392.862 3.809 10 0 GHAERN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc(-c4ccoc4)no3)C2=O)cc1 ZINC000105571243 884813357 /nfs/dbraw/zinc/81/33/57/884813357.db2.gz DZBKMWPTRGKZNS-NRFANRHFSA-N 0 0 394.431 3.594 10 0 GHAERN C[C@@H](C(=O)N(C)C1CCCCC1)[S@@](=O)Cc1csc(Br)c1 ZINC000105692195 884834175 /nfs/dbraw/zinc/83/41/75/884834175.db2.gz REXXEJUTMKUCSP-WIUDPPPLSA-N 0 0 392.384 3.939 10 0 GHAERN Cc1cc(=O)oc2cc(OC(=O)C3CCN(C(=O)c4cccs4)CC3)ccc12 ZINC000018115194 885803794 /nfs/dbraw/zinc/80/37/94/885803794.db2.gz HTGGCFSRYNINJH-UHFFFAOYSA-N 0 0 397.452 3.621 10 0 GHAERN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000101526305 885943897 /nfs/dbraw/zinc/94/38/97/885943897.db2.gz XBCYQCWGNJJIGR-KRWDZBQOSA-N 0 0 398.850 3.783 10 0 GHAERN O=C(c1cc(Br)cnc1Cl)N1CC[C@@H](Nc2ccccc2)C1 ZINC000102899601 885978546 /nfs/dbraw/zinc/97/85/46/885978546.db2.gz UOSOZSNSMQSBPW-CYBMUJFWSA-N 0 0 380.673 3.824 10 0 GHAERN O=C(NCc1nc2ccccc2s1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104230388 886000657 /nfs/dbraw/zinc/00/06/57/886000657.db2.gz HMMMTAFDINCYEN-MRXNPFEDSA-N 0 0 380.473 3.609 10 0 GHAERN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1cc(-c2ccncc2)[nH]n1 ZINC000104876703 886006410 /nfs/dbraw/zinc/00/64/10/886006410.db2.gz OKYGQRHMTKWAIT-UHFFFAOYSA-N 0 0 379.807 3.961 10 0 GHAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCC(N2CCCC2=O)CC1 ZINC000105086744 886010985 /nfs/dbraw/zinc/01/09/85/886010985.db2.gz SDEBOGQSNTVSGA-LJQANCHMSA-N 0 0 375.900 3.588 10 0 GHAERN CC[C@H](NC(=O)N1CCC(c2nnc3ccccn32)CC1)c1nc(C)cs1 ZINC000105307437 886014790 /nfs/dbraw/zinc/01/47/90/886014790.db2.gz VHGDRXRPNWYXGT-HNNXBMFYSA-N 0 0 384.509 3.535 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2ccc(N3CCCC3)cc2C)c2ccccc2)[nH]1 ZINC000109380708 886118262 /nfs/dbraw/zinc/11/82/62/886118262.db2.gz DITVDTTYCTVUMN-HXUWFJFHSA-N 0 0 390.491 3.933 10 0 GHAERN Cn1c(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccccc2c1=O ZINC000114481446 886313463 /nfs/dbraw/zinc/31/34/63/886313463.db2.gz KUSRFKQLENVTAL-GOSISDBHSA-N 0 0 399.498 3.703 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000114590622 886316251 /nfs/dbraw/zinc/31/62/51/886316251.db2.gz OMFFBRFWEAQTDG-PXNSSMCTSA-N 0 0 381.524 3.507 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2CCN2CCC[C@@H]2c2noc(C(C)C)n2)no1 ZINC000114717040 886323958 /nfs/dbraw/zinc/32/39/58/886323958.db2.gz PQRQSIFGLIADEG-HZPDHXFCSA-N 0 0 388.516 3.673 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000114722642 886324151 /nfs/dbraw/zinc/32/41/51/886324151.db2.gz LZUMAEGOZMULME-OAHLLOKOSA-N 0 0 382.489 3.707 10 0 GHAERN COCC[S@@](=O)Cc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000117019304 886377274 /nfs/dbraw/zinc/37/72/74/886377274.db2.gz ABAIFMSEIDRQRA-NDEPHWFRSA-N 0 0 398.528 3.903 10 0 GHAERN CC1(C)CC(=O)c2cc(C(=O)N3CC=C(c4cccs4)CC3)c(=O)[nH]c2C1 ZINC000117856201 886394849 /nfs/dbraw/zinc/39/48/49/886394849.db2.gz RAMODVKDSYHWIU-UHFFFAOYSA-N 0 0 382.485 3.521 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c2cnn(C)c2n1 ZINC000119833940 886481388 /nfs/dbraw/zinc/48/13/88/886481388.db2.gz YKJZOBBATOTCOB-CQSZACIVSA-N 0 0 395.532 3.632 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N[C@@H]2CCOC3(CCCCC3)C2)c2ccccc21 ZINC000332861155 886554792 /nfs/dbraw/zinc/55/47/92/886554792.db2.gz DFJALEBMSMWTOS-RTBURBONSA-N 0 0 384.520 3.915 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000122011921 886574952 /nfs/dbraw/zinc/57/49/52/886574952.db2.gz PIHACHJICIVDBO-UZLBHIALSA-N 0 0 378.472 3.516 10 0 GHAERN O=C(COc1ccc(Cl)cc1)NCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000041136477 886663191 /nfs/dbraw/zinc/66/31/91/886663191.db2.gz OISCEXNLUARYOK-UHFFFAOYSA-N 0 0 378.215 3.739 10 0 GHAERN C[C@@H]1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)C[C@H](C)O1 ZINC000041885266 886728067 /nfs/dbraw/zinc/72/80/67/886728067.db2.gz BPMMDCBJUYIZJD-HDICACEKSA-N 0 0 378.557 3.611 10 0 GHAERN CCN(C(=O)N[C@H](c1noc(C)n1)c1ccccc1F)[C@@H](C)c1cccnc1 ZINC000124352237 886735224 /nfs/dbraw/zinc/73/52/24/886735224.db2.gz VTXCGEMBPAHNAP-UGSOOPFHSA-N 0 0 383.427 3.794 10 0 GHAERN CS[C@H]1CCCCN(C(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1 ZINC000124425154 886746188 /nfs/dbraw/zinc/74/61/88/886746188.db2.gz MTJDWKPPJOALBP-XJKSGUPXSA-N 0 0 378.473 3.534 10 0 GHAERN CCSCC[C@H](C)N(C)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124657829 886780105 /nfs/dbraw/zinc/78/01/05/886780105.db2.gz QMHCJPAKKQSCNT-LRDDRELGSA-N 0 0 380.489 3.780 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCc3ccc(F)cc3C2)c2ccccc2F)no1 ZINC000124671261 886781686 /nfs/dbraw/zinc/78/16/86/886781686.db2.gz HYUOFFVNSHFCBB-SFHVURJKSA-N 0 0 384.386 3.514 10 0 GHAERN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000042628231 886796492 /nfs/dbraw/zinc/79/64/92/886796492.db2.gz NYLPTTCCILZWIR-QGZVFWFLSA-N 0 0 389.515 3.576 10 0 GHAERN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC(n4cncn4)CC3)cc2)cc1 ZINC000125125721 886830960 /nfs/dbraw/zinc/83/09/60/886830960.db2.gz QWSHBKKMBZQQMU-UHFFFAOYSA-N 0 0 390.443 3.750 10 0 GHAERN C[C@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@@H]1COc2ccccc21 ZINC000126290282 886953137 /nfs/dbraw/zinc/95/31/37/886953137.db2.gz NZMXDGCDAGAYAG-BBRMVZONSA-N 0 0 393.468 3.690 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCC[C@H]3c3ccc(C)cc3)CC2)n1 ZINC000126794735 887007065 /nfs/dbraw/zinc/00/70/65/887007065.db2.gz GRVAEHLSIKOWTN-FQEVSTJZSA-N 0 0 394.519 3.764 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000045398301 887049109 /nfs/dbraw/zinc/04/91/09/887049109.db2.gz FDRDNCNGFOHNNI-UHFFFAOYSA-N 0 0 386.517 3.658 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCCc3nc(-c4cccs4)no3)CCO2)o1 ZINC000127392997 887057666 /nfs/dbraw/zinc/05/76/66/887057666.db2.gz ZXLXOBCWTZWTMM-HNNXBMFYSA-N 0 0 387.461 3.622 10 0 GHAERN Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC000129257104 887275010 /nfs/dbraw/zinc/27/50/10/887275010.db2.gz WZMTZXGAOHFMLQ-MRXNPFEDSA-N 0 0 391.427 3.571 10 0 GHAERN CC(C)Oc1ccc(F)cc1NC(=O)N(C)C[C@@H](O)COCc1ccccc1 ZINC000105033620 887304849 /nfs/dbraw/zinc/30/48/49/887304849.db2.gz CFBIADYEYHNEAB-GOSISDBHSA-N 0 0 390.455 3.654 10 0 GHAERN O=C(NCC1([C@@H](O)c2ccccc2)CC1)NC1CCN(c2cccs2)CC1 ZINC000130551469 887446536 /nfs/dbraw/zinc/44/65/36/887446536.db2.gz CZRHLWBDBFBMML-IBGZPJMESA-N 0 0 385.533 3.530 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000130559196 887448113 /nfs/dbraw/zinc/44/81/13/887448113.db2.gz HQQSXOFHNDQLAD-LMKMVOKYSA-N 0 0 378.881 3.763 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000131391331 887539169 /nfs/dbraw/zinc/53/91/69/887539169.db2.gz VKHAFGJJIRTBKT-KQPPXVQYSA-N 0 0 397.479 3.634 10 0 GHAERN C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C(=O)c2cccnc2)CC1 ZINC000132577451 887670881 /nfs/dbraw/zinc/67/08/81/887670881.db2.gz CYGONLXSPTVOEA-OAHLLOKOSA-N 0 0 396.878 3.909 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)cc1 ZINC000133379508 887755969 /nfs/dbraw/zinc/75/59/69/887755969.db2.gz NONCSXMDDOWMPG-NRMKIYEFSA-N 0 0 390.443 3.628 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000134326342 887860419 /nfs/dbraw/zinc/86/04/19/887860419.db2.gz AUEFXQJIZXFJRR-IFMALSPDSA-N 0 0 389.499 3.524 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134383699 887865527 /nfs/dbraw/zinc/86/55/27/887865527.db2.gz VAQZRSDWABMYEE-DYVFJYSZSA-N 0 0 387.480 3.668 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2Cl)C1 ZINC000134376135 887866006 /nfs/dbraw/zinc/86/60/06/887866006.db2.gz NVRVGJVCDWRTQQ-KBXCAEBGSA-N 0 0 396.318 3.632 10 0 GHAERN Cc1nc(C(C)(C)NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc1C ZINC000135627175 888252835 /nfs/dbraw/zinc/25/28/35/888252835.db2.gz QTNSIFIKILOUIY-CQSZACIVSA-N 0 0 375.519 3.614 10 0 GHAERN O=C(NCCc1cccc(Cl)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000053975665 888256903 /nfs/dbraw/zinc/25/69/03/888256903.db2.gz XCCZTKCLAYUCHV-MRXNPFEDSA-N 0 0 383.883 3.514 10 0 GHAERN C[C@@]1(C(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)CC1(Cl)Cl ZINC000055655233 888326824 /nfs/dbraw/zinc/32/68/24/888326824.db2.gz RSGBUJUSKAAOAH-INIZCTEOSA-N 0 0 389.710 3.598 10 0 GHAERN Cc1c(Br)cccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137326078 888348559 /nfs/dbraw/zinc/34/85/59/888348559.db2.gz TUJJJUQMEHRZEA-CQSZACIVSA-N 0 0 376.254 3.838 10 0 GHAERN COc1ccc(CN(C)C(=O)C2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000056107943 888349933 /nfs/dbraw/zinc/34/99/33/888349933.db2.gz NSDUAGAWHCVSQU-UHFFFAOYSA-N 0 0 395.503 3.906 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1)c1ccsc1 ZINC000056469322 888362113 /nfs/dbraw/zinc/36/21/13/888362113.db2.gz CDYHXKXHTGQNLJ-PMACEKPBSA-N 0 0 398.528 3.637 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H]2CCN(C)c3ccccc32)c1 ZINC000056488645 888363710 /nfs/dbraw/zinc/36/37/10/888363710.db2.gz ODTPSGACGBOUHC-MAUKXSAKSA-N 0 0 380.492 3.629 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000057392414 888401823 /nfs/dbraw/zinc/40/18/23/888401823.db2.gz KYTMDYFUSPFZDR-AWEZNQCLSA-N 0 0 382.363 3.869 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CC(=O)N2CCCC2)CC1 ZINC000057636739 888410370 /nfs/dbraw/zinc/41/03/70/888410370.db2.gz OXMRZSJCTCFDEP-VOTSOKGWSA-N 0 0 394.437 3.970 10 0 GHAERN COc1ccc(Cl)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000064831169 888537412 /nfs/dbraw/zinc/53/74/12/888537412.db2.gz OSSYPARINAYKOO-UHFFFAOYSA-N 0 0 390.842 3.979 10 0 GHAERN CCC[C@]1(COC)CCCN1C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000194114434 888558722 /nfs/dbraw/zinc/55/87/22/888558722.db2.gz BOZGOSRKLSTFKL-FXAWDEMLSA-N 0 0 390.459 3.597 10 0 GHAERN CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)CC1 ZINC000194729723 888616090 /nfs/dbraw/zinc/61/60/90/888616090.db2.gz HDYHGKZXEXWSHF-FCHUYYIVSA-N 0 0 398.547 3.651 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000194851787 888625829 /nfs/dbraw/zinc/62/58/29/888625829.db2.gz FDNGCYOWQSYZIM-UYAOXDASSA-N 0 0 383.492 3.783 10 0 GHAERN Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)nc3n4CCCCC3)C2)n1 ZINC000195137819 888649823 /nfs/dbraw/zinc/64/98/23/888649823.db2.gz PVJCRYBYLNUILK-OAHLLOKOSA-N 0 0 394.479 3.866 10 0 GHAERN Cc1ccc(N2CCC(C(=O)NCc3cccc(OC(F)F)c3)CC2)nc1 ZINC000195131505 888649864 /nfs/dbraw/zinc/64/98/64/888649864.db2.gz PWADKTSYNWKROY-UHFFFAOYSA-N 0 0 375.419 3.524 10 0 GHAERN CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245684001 889221511 /nfs/dbraw/zinc/22/15/11/889221511.db2.gz MBNOADYGGBVZQF-PWRODBHTSA-N 0 0 398.551 3.677 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1cc2ccccc2s1 ZINC000245704289 889320303 /nfs/dbraw/zinc/32/03/03/889320303.db2.gz WTFCIEVRSNJIFI-URLQWDBASA-N 0 0 398.532 3.851 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)N[C@H](C)c2nc(C)cs2)C1 ZINC000245927676 890030328 /nfs/dbraw/zinc/03/03/28/890030328.db2.gz IFJXTCRDSQUJCK-DJIMGWMZSA-N 0 0 387.505 3.501 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccccc1OC(F)(F)F ZINC000246080571 890320204 /nfs/dbraw/zinc/32/02/04/890320204.db2.gz UYADZWNDASFUJK-RHSMWYFYSA-N 0 0 393.409 3.621 10 0 GHAERN C[C@H](NC(=O)[C@H]1COc2ccccc21)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000246093467 890352338 /nfs/dbraw/zinc/35/23/38/890352338.db2.gz JIIJTQAMCMWBGU-XUEUYAKLSA-N 0 0 381.472 3.604 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)cc1C ZINC000246212868 890743563 /nfs/dbraw/zinc/74/35/63/890743563.db2.gz OFUWIFIYLSICOS-DFQSSKMNSA-N 0 0 399.516 3.607 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC000246243314 890815615 /nfs/dbraw/zinc/81/56/15/890815615.db2.gz XPHQBCSSXDNYEL-GDIGMMSISA-N 0 0 384.476 3.590 10 0 GHAERN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246272674 890908587 /nfs/dbraw/zinc/90/85/87/890908587.db2.gz ZYPVIOQRYXGIFR-BMGDILEWSA-N 0 0 399.516 3.666 10 0 GHAERN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC[C@H](c3nccs3)C2)CC1 ZINC000067047072 891140779 /nfs/dbraw/zinc/14/07/79/891140779.db2.gz YZFDGVWMOSYXAT-INIZCTEOSA-N 0 0 393.553 3.886 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CCC[C@@H](c2nccs2)C1 ZINC000067048845 891140794 /nfs/dbraw/zinc/14/07/94/891140794.db2.gz IFUJKBWFLMTASY-PGLGOXFNSA-N 0 0 378.910 3.925 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C[C@H](C)Cc1ccc(Cl)cc1)CC2 ZINC000246534969 891284040 /nfs/dbraw/zinc/28/40/40/891284040.db2.gz VNWHRRGXEFLLQS-ATZDWAIDSA-N 0 0 379.928 3.687 10 0 GHAERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)s1 ZINC000246570376 891286674 /nfs/dbraw/zinc/28/66/74/891286674.db2.gz YKZUBAVXBBVEBN-RRQGHBQHSA-N 0 0 377.485 3.949 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247078427 891342961 /nfs/dbraw/zinc/34/29/61/891342961.db2.gz QQDIPKNUBJUQNE-UXLLHSPISA-N 0 0 377.282 3.547 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000247087006 891343078 /nfs/dbraw/zinc/34/30/78/891343078.db2.gz DMGBTGDRCFULJL-TXPKVOOTSA-N 0 0 387.911 3.529 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cs2)cc1 ZINC000247353388 891371447 /nfs/dbraw/zinc/37/14/47/891371447.db2.gz JYPBYJYHKUOJAY-IPMKNSEASA-N 0 0 386.517 3.647 10 0 GHAERN COc1cc(Br)c(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OC ZINC000247450656 891376983 /nfs/dbraw/zinc/37/69/83/891376983.db2.gz OWEKBMBLGODKKA-ZKYQVNSYSA-N 0 0 399.285 3.545 10 0 GHAERN COCc1noc([C@@H](C)N2CCC[C@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000248478931 891439589 /nfs/dbraw/zinc/43/95/89/891439589.db2.gz ZOHGQPLQLXSNOV-KGLIPLIRSA-N 0 0 381.908 3.928 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)CCC[C@H]2C)c2ccc(F)cc2C1 ZINC000248617545 891446660 /nfs/dbraw/zinc/44/66/60/891446660.db2.gz JNPMPOSXYZNLMD-SXGZJXTBSA-N 0 0 375.488 3.839 10 0 GHAERN CS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000248633383 891448609 /nfs/dbraw/zinc/44/86/09/891448609.db2.gz SJDPVNPHMAHDOD-YQVWRLOYSA-N 0 0 393.528 3.592 10 0 GHAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000248636324 891449876 /nfs/dbraw/zinc/44/98/76/891449876.db2.gz KJRGYKXICVHRAE-BHDDXSALSA-N 0 0 396.462 3.548 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248693683 891458160 /nfs/dbraw/zinc/45/81/60/891458160.db2.gz BYUIKHYQLQDZIC-WNYOCNMUSA-N 0 0 375.488 3.839 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2CCC3(CC2)[C@H](OCC)C[C@@H]3O)cc1 ZINC000248573755 891463330 /nfs/dbraw/zinc/46/33/30/891463330.db2.gz SFUGLTJMQAHEOV-VQTJNVASSA-N 0 0 389.540 3.707 10 0 GHAERN COc1ccccc1-c1nc(C2CCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)no1 ZINC000248852048 891475156 /nfs/dbraw/zinc/47/51/56/891475156.db2.gz CAIMWJGWLCLAAK-MNZLEMJZSA-N 0 0 381.476 3.887 10 0 GHAERN CCc1cccc2c(C3CCN(C(=O)NCCc4nc(C)no4)CC3)c[nH]c21 ZINC000101618296 897950657 /nfs/dbraw/zinc/95/06/57/897950657.db2.gz SHTPNXBFOJLCDV-UHFFFAOYSA-N 0 0 381.480 3.553 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000102035385 897990817 /nfs/dbraw/zinc/99/08/17/897990817.db2.gz IUEHSWOTBXLZCL-UHFFFAOYSA-N 0 0 393.163 3.524 10 0 GHAERN O=C(N[C@@H]1CCSc2ccc(F)cc21)N1CCO[C@H](c2nccs2)C1 ZINC000111808319 898830875 /nfs/dbraw/zinc/83/08/75/898830875.db2.gz OZWNEXJMJMFPNT-KGLIPLIRSA-N 0 0 379.482 3.602 10 0 GHAERN O=C(NC1CCC2(CC2)CC1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000333157761 900002373 /nfs/dbraw/zinc/00/23/73/900002373.db2.gz MVFGESYUNGYQIF-GOSISDBHSA-N 0 0 384.524 3.567 10 0 GHAERN O=C(NC1CCC2(CC2)CC1)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000333157763 900002800 /nfs/dbraw/zinc/00/28/00/900002800.db2.gz MVFGESYUNGYQIF-SFHVURJKSA-N 0 0 384.524 3.567 10 0 GHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC000333324501 902008116 /nfs/dbraw/zinc/00/81/16/902008116.db2.gz QJQCMVSOZHZGDT-WOJBJXKFSA-N 0 0 389.561 3.873 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1ncc(C2CCCCC2)s1 ZINC000333466475 902112204 /nfs/dbraw/zinc/11/22/04/902112204.db2.gz FGRLMTQAGXWIEX-UKRRQHHQSA-N 0 0 385.555 3.668 10 0 GHAERN Cc1cc(CCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)ccc1Br ZINC000179359528 906481566 /nfs/dbraw/zinc/48/15/66/906481566.db2.gz VGOPSUPVPIQSHO-OAHLLOKOSA-N 0 0 377.286 3.562 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179356455 906482146 /nfs/dbraw/zinc/48/21/46/906482146.db2.gz UQUVLIXMZNLGBR-OAHLLOKOSA-N 0 0 385.855 3.800 10 0 GHAERN O=C(CCCc1ccccc1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181394859 906991440 /nfs/dbraw/zinc/99/14/40/906991440.db2.gz MUZBCQMTHYRUTI-HNNXBMFYSA-N 0 0 377.286 3.644 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183071125 907322766 /nfs/dbraw/zinc/32/27/66/907322766.db2.gz NUWIZQVFHFCZNG-SFHVURJKSA-N 0 0 393.495 3.932 10 0 GHAERN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183359991 907375365 /nfs/dbraw/zinc/37/53/65/907375365.db2.gz MFGQPFUYFPDAAX-MRXNPFEDSA-N 0 0 398.854 3.776 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183923214 907478323 /nfs/dbraw/zinc/47/83/23/907478323.db2.gz CBOJHQYJXMFTGW-LBEHMCEESA-N 0 0 382.501 3.510 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](C)N2CCc3sccc3C2)cs1 ZINC000186162644 907885668 /nfs/dbraw/zinc/88/56/68/907885668.db2.gz XYAPJNFXVVTUCY-DYVFJYSZSA-N 0 0 390.578 3.806 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC000187095832 908036483 /nfs/dbraw/zinc/03/64/83/908036483.db2.gz JHHTUYUZKPMHMI-INIZCTEOSA-N 0 0 398.937 3.632 10 0 GHAERN COC(=O)c1cc(NC(=O)N2CCC[C@H]2c2csc(C)n2)c(F)cc1F ZINC000188566151 908225112 /nfs/dbraw/zinc/22/51/12/908225112.db2.gz GGMPZLRHECQFKK-HNNXBMFYSA-N 0 0 381.404 3.885 10 0 GHAERN COCCOc1ccc(F)cc1NC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000188847360 908257415 /nfs/dbraw/zinc/25/74/15/908257415.db2.gz QNAAGPSVVABMDB-INIZCTEOSA-N 0 0 379.457 3.985 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000190054507 908414568 /nfs/dbraw/zinc/41/45/68/908414568.db2.gz RSCMTBHEYQHHCY-UAFMIMERSA-N 0 0 377.444 3.623 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000190077807 908420409 /nfs/dbraw/zinc/42/04/09/908420409.db2.gz IXQWWDFADQAUAD-FPOVZHCZSA-N 0 0 391.471 3.889 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C1 ZINC000190130734 908434204 /nfs/dbraw/zinc/43/42/04/908434204.db2.gz WNRCKMWVZZTYEH-RTBURBONSA-N 0 0 399.495 3.608 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)cc2Cl)C1 ZINC000190141053 908436953 /nfs/dbraw/zinc/43/69/53/908436953.db2.gz ZYJZYKKSYDICBD-BBRMVZONSA-N 0 0 394.859 3.813 10 0 GHAERN CCCCOc1ccc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1OC ZINC000190162247 908442964 /nfs/dbraw/zinc/44/29/64/908442964.db2.gz SUQRCCGLYLUFTB-IAGOWNOFSA-N 0 0 375.469 3.528 10 0 GHAERN COc1cccc([C@H](NC(=O)N(C)Cc2ccccc2C)c2nccn2C)c1 ZINC000361582729 916805158 /nfs/dbraw/zinc/80/51/58/916805158.db2.gz NDKSYACGQMWJMO-FQEVSTJZSA-N 0 0 378.476 3.668 10 0 GHAERN CCOCc1cccc(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)c1 ZINC000102537081 1014583408 /nfs/dbraw/zinc/58/34/08/1014583408.db2.gz DVVDLSJACSDDFW-SFHVURJKSA-N 0 0 383.492 3.880 10 0 GHAERN CCO[C@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185527472 1014585084 /nfs/dbraw/zinc/58/50/84/1014585084.db2.gz KULRPNCXGQSCOR-RTWAWAEBSA-N 0 0 384.451 3.513 10 0 GHAERN CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185531295 1014585678 /nfs/dbraw/zinc/58/56/78/1014585678.db2.gz SDKCYUFKYMNDAV-HXUWFJFHSA-N 0 0 383.423 3.643 10 0 GHAERN COc1ccc(OCCCCC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)cc1 ZINC000504398526 231317386 /nfs/dbraw/zinc/31/73/86/231317386.db2.gz JEMQXSATDVOKQF-SFHVURJKSA-N 0 0 383.444 3.834 10 0 GHAERN C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C1 ZINC000022131217 212106199 /nfs/dbraw/zinc/10/61/99/212106199.db2.gz RHCHGCXVVXXXMJ-YPMHNXCESA-N 0 0 375.519 3.573 10 0 GHAERN Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc(Cl)nc(Cl)c1 ZINC000002570642 220543135 /nfs/dbraw/zinc/54/31/35/220543135.db2.gz KRXGQXVBBFAHEL-UHFFFAOYSA-N 0 0 394.287 3.915 10 0 GHAERN CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000002925086 220585847 /nfs/dbraw/zinc/58/58/47/220585847.db2.gz MWEBTZKZUKTVDP-UHFFFAOYSA-N 0 0 381.567 3.759 10 0 GHAERN CC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Br)cc1 ZINC000007306140 220993512 /nfs/dbraw/zinc/99/35/12/220993512.db2.gz OQMVKBPNPLIIJY-LLVKDONJSA-N 0 0 382.279 3.691 10 0 GHAERN Cc1ccc(N[C@@H]2CCCN(C(=O)COc3ncnc4ccccc43)C2)cc1C ZINC000011873719 221133571 /nfs/dbraw/zinc/13/35/71/221133571.db2.gz CEUDMLYIORIMOB-LJQANCHMSA-N 0 0 390.487 3.729 10 0 GHAERN C/C=C(\C)C(=O)NCCN1Cc2ccccc2O[C@H](c2ccccc2OC)C1 ZINC000012131450 221157131 /nfs/dbraw/zinc/15/71/31/221157131.db2.gz KPIPPRSOWAJMEQ-JXGOEDKJSA-N 0 0 380.488 3.713 10 0 GHAERN C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1cccc(C(F)(F)F)c1 ZINC000014574845 221312238 /nfs/dbraw/zinc/31/22/38/221312238.db2.gz PIINNBWTOKSJJR-RYUDHWBXSA-N 0 0 390.361 3.567 10 0 GHAERN Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1ccccc1Cl)C2 ZINC000014745788 221315559 /nfs/dbraw/zinc/31/55/59/221315559.db2.gz GXRQRTSSTWGCFD-UHFFFAOYSA-N 0 0 394.906 3.562 10 0 GHAERN Cc1noc2nc(CCC(=O)N3CCCCCC3)nc(N3C[C@@H](C)C[C@H](C)C3)c12 ZINC000065056655 136158957 /nfs/dbraw/zinc/15/89/57/136158957.db2.gz ZRJIOGNCHNNEQS-HOTGVXAUSA-N 0 0 399.539 3.744 10 0 GHAERN O=C(CN1CCN(c2cccc(Cl)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000069593485 136165177 /nfs/dbraw/zinc/16/51/77/136165177.db2.gz JTLRCTRJKSLMRQ-UHFFFAOYSA-N 0 0 387.955 3.547 10 0 GHAERN CSc1cccc(NC(=O)N2CCN(Cc3ccc4nccnc4c3)CC2)c1 ZINC000021648974 221536171 /nfs/dbraw/zinc/53/61/71/221536171.db2.gz ZWAZWEOVYKQUAC-UHFFFAOYSA-N 0 0 393.516 3.701 10 0 GHAERN COc1ccc(-c2c(C)c3ccc(OC(C)=O)c(COC(C)=O)c3oc2=O)cc1 ZINC000045919443 221964441 /nfs/dbraw/zinc/96/44/41/221964441.db2.gz GBVSSAOZCYASPN-UHFFFAOYSA-N 0 0 396.395 3.765 10 0 GHAERN COc1ccc(OC)c(-c2cn3ccn(-c4cc(C)cc(C)c4)c(=O)c3n2)c1 ZINC000065060514 222097726 /nfs/dbraw/zinc/09/77/26/222097726.db2.gz HEZFSDROBWKOEW-UHFFFAOYSA-N 0 0 375.428 3.786 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000064892476 222086009 /nfs/dbraw/zinc/08/60/09/222086009.db2.gz UNBIUOBJIQGRAR-UHFFFAOYSA-N 0 0 384.910 3.747 10 0 GHAERN [NH3+][C@H](c1ccccc1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071610565 222184666 /nfs/dbraw/zinc/18/46/66/222184666.db2.gz WJWPTEDHXBVAGO-FCHUYYIVSA-N 0 0 387.435 3.743 10 0 GHAERN COc1ccc(CN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)C2CC2)cc1 ZINC000095076298 222328584 /nfs/dbraw/zinc/32/85/84/222328584.db2.gz HXZWYEYQMBSGGV-LJQANCHMSA-N 0 0 388.508 3.976 10 0 GHAERN CC(C)c1ccc(CNC(=O)[C@@H]2CCc3nc(N4CCCC4)ncc3C2)cc1 ZINC000075877223 222273256 /nfs/dbraw/zinc/27/32/56/222273256.db2.gz MRBCNJWNUOSWDZ-LJQANCHMSA-N 0 0 378.520 3.622 10 0 GHAERN CC(C)(C)OC(=O)n1nc(I)c2c1cc(F)cc2F ZINC000095757025 222359642 /nfs/dbraw/zinc/35/96/42/222359642.db2.gz CZBBECBTSDDJRN-UHFFFAOYSA-N 0 0 380.132 3.702 10 0 GHAERN CC(C)OCCCn1c2nnc(-c3ccc(F)c(F)c3)n2c2ccccc2c1=O ZINC000006781285 570284015 /nfs/dbraw/zinc/28/40/15/570284015.db2.gz VWHTXPAAJIKJSA-UHFFFAOYSA-N 0 0 398.413 3.805 10 0 GHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(-c3cn[nH]c3)nc3ccc(F)cc32)cn1 ZINC000020994532 570286466 /nfs/dbraw/zinc/28/64/66/570286466.db2.gz VVNIXOLJMHUPOB-CYBMUJFWSA-N 0 0 375.407 3.958 10 0 GHAERN COc1ccc2nc(NC(=O)c3ccc(NC(=O)[C@H]4CCCO4)cc3)sc2c1 ZINC000004875514 570353079 /nfs/dbraw/zinc/35/30/79/570353079.db2.gz NOGIZBRUZCXETN-MRXNPFEDSA-N 0 0 397.456 3.675 10 0 GHAERN COCCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000004909622 570362096 /nfs/dbraw/zinc/36/20/96/570362096.db2.gz MDBSEQFHSFRFHM-UHFFFAOYSA-N 0 0 395.459 3.762 10 0 GHAERN CC[C@@H](C)N(Cc1nc(C(=O)N(C)CC)co1)Cc1ccc(OC)cc1OC ZINC000036082593 570528849 /nfs/dbraw/zinc/52/88/49/570528849.db2.gz NNLGLPLDSJGAOE-OAHLLOKOSA-N 0 0 389.496 3.584 10 0 GHAERN CCOc1ccc(CCNC(=O)NCc2noc3ccc(C)cc23)cc1OCC ZINC000006866074 570655258 /nfs/dbraw/zinc/65/52/58/570655258.db2.gz YVYMUQBZILZNQO-UHFFFAOYSA-N 0 0 397.475 3.976 10 0 GHAERN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3F)C(=O)NC(C)C)C2)cc1 ZINC000006873134 570664783 /nfs/dbraw/zinc/66/47/83/570664783.db2.gz DZUOZSXIYUWERQ-IBGZPJMESA-N 0 0 399.466 3.948 10 0 GHAERN CCc1ncnc(N2CCC3(C[C@H]3N(Cc3ccsc3)C(C)=O)CC2)c1F ZINC000275737530 570698887 /nfs/dbraw/zinc/69/88/87/570698887.db2.gz PKKXNIDAPQWNNJ-QGZVFWFLSA-N 0 0 388.512 3.647 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCCc4cc(OC(F)F)ccc43)C2)cn1 ZINC000116539852 834359271 /nfs/dbraw/zinc/35/92/71/834359271.db2.gz QUYPZDPDPGARFX-RDTXWAMCSA-N 0 0 390.434 3.598 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000156604021 834464514 /nfs/dbraw/zinc/46/45/14/834464514.db2.gz LSDIQTDFYILPJA-RSDUVYJRSA-N 0 0 378.472 3.701 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3c(C)cc(N(C)C)cc3C)CC2)n1 ZINC000156618303 834474336 /nfs/dbraw/zinc/47/43/36/834474336.db2.gz DIIIAADDEZLSAE-UHFFFAOYSA-N 0 0 381.524 3.863 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000156681159 834500562 /nfs/dbraw/zinc/50/05/62/834500562.db2.gz QGTHPELOMOZJRJ-CQSZACIVSA-N 0 0 386.521 3.617 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)no1 ZINC000329355522 834902385 /nfs/dbraw/zinc/90/23/85/834902385.db2.gz FOKTWCPMJZZULO-KRWDZBQOSA-N 0 0 380.452 3.558 10 0 GHAERN O=C1NC2(CCCCC2)C(=O)N1[C@@H]1CCOc2ccc(Br)cc21 ZINC000329368197 834920157 /nfs/dbraw/zinc/92/01/57/834920157.db2.gz LFVMHWFGKWTPET-CYBMUJFWSA-N 0 0 379.254 3.732 10 0 GHAERN CC(=O)c1cccc(OCCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)c1 ZINC000157783903 835092157 /nfs/dbraw/zinc/09/21/57/835092157.db2.gz KPKCGFWGJHWXMZ-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN CCc1nnc(C2CCN(C(=O)C=Cc3ccccc3O[C@H](C)CC)CC2)[nH]1 ZINC000588583883 835105383 /nfs/dbraw/zinc/10/53/83/835105383.db2.gz JXNNBAJCHIVRJP-BLIJAFNYSA-N 0 0 382.508 3.964 10 0 GHAERN CCc1nnc(C2CCN(C(=O)C=Cc3ccc4ccc(Cl)cc4n3)CC2)[nH]1 ZINC000588584090 835114233 /nfs/dbraw/zinc/11/42/33/835114233.db2.gz XNLYNFKDSYEZQS-FPLPWBNLSA-N 0 0 395.894 3.988 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937819 835142380 /nfs/dbraw/zinc/14/23/80/835142380.db2.gz AYGJKXXTEGDCPM-HIFRSBDPSA-N 0 0 387.484 3.604 10 0 GHAERN O=S(=O)(Cc1noc2ccccc12)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000329603431 835338869 /nfs/dbraw/zinc/33/88/69/835338869.db2.gz YMOSHEVRPGENNF-YPMHNXCESA-N 0 0 376.400 3.616 10 0 GHAERN O=C([C@H]1C[C@@H]1c1cc(F)ccc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000158968312 835665758 /nfs/dbraw/zinc/66/57/58/835665758.db2.gz IBAXVNPMLDCAAB-MJGOQNOKSA-N 0 0 390.474 3.710 10 0 GHAERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246069629 835966876 /nfs/dbraw/zinc/96/68/76/835966876.db2.gz ZWLAMLXNDXQSIQ-YESZJQIVSA-N 0 0 391.585 3.915 10 0 GHAERN O=C(c1cccc2ncccc21)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000102310042 836668979 /nfs/dbraw/zinc/66/89/79/836668979.db2.gz DDCRGZNTRZDCRE-UHFFFAOYSA-N 0 0 385.427 3.700 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)c3csc4c3CC[C@H](C)C4)CCO2)o1 ZINC000275483571 837117124 /nfs/dbraw/zinc/11/71/24/837117124.db2.gz VSMAKBYRDSGSSZ-SWLSCSKDSA-N 0 0 375.494 3.593 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)c3csc4c3CC[C@H](C)C4)CCO2)o1 ZINC000275483574 837117236 /nfs/dbraw/zinc/11/72/36/837117236.db2.gz VSMAKBYRDSGSSZ-WFASDCNBSA-N 0 0 375.494 3.593 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCO[C@H](c4cccs4)C3)CCO2)n1 ZINC000333202911 844264168 /nfs/dbraw/zinc/26/41/68/844264168.db2.gz RUCBLMFUAPPVPH-KKUMJFAQSA-N 0 0 393.534 3.516 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1)C1CCCCC1 ZINC000177328334 837894205 /nfs/dbraw/zinc/89/42/05/837894205.db2.gz PKWZAPOJZMERSK-HXUWFJFHSA-N 0 0 384.524 3.907 10 0 GHAERN CCNC(=O)N1CCc2ccc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc21 ZINC000333212831 844293168 /nfs/dbraw/zinc/29/31/68/844293168.db2.gz KIJHZWXWTYGSSP-NTPFDHPUSA-N 0 0 382.508 3.679 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(Cl)c1)CCCC2 ZINC000407953276 838238588 /nfs/dbraw/zinc/23/85/88/838238588.db2.gz BMMNMXDQRHMEJA-KRWDZBQOSA-N 0 0 397.903 3.617 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc(C)c1F ZINC000407955474 838243009 /nfs/dbraw/zinc/24/30/09/838243009.db2.gz IJQCLMWBLPCYHR-GOSISDBHSA-N 0 0 391.512 3.581 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)N4CCC(C)CC4)CC3)cc2c1 ZINC000108554668 838340593 /nfs/dbraw/zinc/34/05/93/838340593.db2.gz WJPYKMFENUYRKY-UHFFFAOYSA-N 0 0 393.531 3.962 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(Br)cc2Cl)[nH]1 ZINC000407979508 838368834 /nfs/dbraw/zinc/36/88/34/838368834.db2.gz AYTCNEVLWAUGBY-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)c1 ZINC000588468984 844348179 /nfs/dbraw/zinc/34/81/79/844348179.db2.gz PUEXANXOVJFZBD-XQOXVSIASA-N 0 0 377.488 3.530 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCc3cc(Br)ccc32)cn1 ZINC000408032818 838928258 /nfs/dbraw/zinc/92/82/58/838928258.db2.gz CKSYZZLKWGUFFU-IRXDYDNUSA-N 0 0 389.297 3.717 10 0 GHAERN COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116776711 839414582 /nfs/dbraw/zinc/41/45/82/839414582.db2.gz DMMBYTKVVOMSCK-ICSRJNTNSA-N 0 0 396.535 3.652 10 0 GHAERN C[C@H](C(=O)N1CCO[C@H](c2ccccc2Br)C1)c1cccnc1 ZINC000174461888 839529889 /nfs/dbraw/zinc/52/98/89/839529889.db2.gz RXNJZIVVEUINOC-GUYCJALGSA-N 0 0 375.266 3.548 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223101 840805163 /nfs/dbraw/zinc/80/51/63/840805163.db2.gz WVMNZTBAUWQJFM-HOTGVXAUSA-N 0 0 390.915 3.826 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@H]1CCN(c2ccccc2)C1 ZINC000332838122 844587926 /nfs/dbraw/zinc/58/79/26/844587926.db2.gz MXDMDTSCVKSZQO-AZUAARDMSA-N 0 0 381.524 3.932 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000106368797 840929015 /nfs/dbraw/zinc/92/90/15/840929015.db2.gz JHLQHIGMTUQUHB-AWEZNQCLSA-N 0 0 388.320 3.870 10 0 GHAERN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1 ZINC000332859926 844595800 /nfs/dbraw/zinc/59/58/00/844595800.db2.gz MCLIZYWQYJKQCG-WMZOPIPTSA-N 0 0 392.425 3.880 10 0 GHAERN Cc1cnn([C@@H]2CCCN(c3ccc(C(=O)N4CCc5ccccc54)cn3)C2)c1 ZINC000301413213 841179028 /nfs/dbraw/zinc/17/90/28/841179028.db2.gz ZHHBRVRANYCXLB-HXUWFJFHSA-N 0 0 387.487 3.631 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000332895314 844627857 /nfs/dbraw/zinc/62/78/57/844627857.db2.gz YXIGIWIPCFOHCZ-WXGPCXSOSA-N 0 0 396.457 3.851 10 0 GHAERN Cc1nc([C@H]2CN(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)CCO2)no1 ZINC000408155858 841303054 /nfs/dbraw/zinc/30/30/54/841303054.db2.gz XBFODQQYSPYGLL-GOSISDBHSA-N 0 0 383.492 3.941 10 0 GHAERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000109208738 841405064 /nfs/dbraw/zinc/40/50/64/841405064.db2.gz PZKBATMWQYHHFI-INIZCTEOSA-N 0 0 378.476 3.937 10 0 GHAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000153201044 842272330 /nfs/dbraw/zinc/27/23/30/842272330.db2.gz TVPPWAWCFKDAGZ-OPAMFIHVSA-N 0 0 395.551 3.503 10 0 GHAERN C/C(=C/C(=O)NCc1nnc(C2CCC2)n1C)c1cccc(C(F)(F)F)c1 ZINC000588433283 842412533 /nfs/dbraw/zinc/41/25/33/842412533.db2.gz NMHBWDJLRFRNLU-XFXZXTDPSA-N 0 0 378.398 3.821 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)CCc1ccccc1Br ZINC000588434264 842465918 /nfs/dbraw/zinc/46/59/18/842465918.db2.gz ATTBKFBMUXIGBT-SREVYHEPSA-N 0 0 397.313 3.579 10 0 GHAERN Cc1ccc(CN(C(=O)/C=C\c2ccncn2)c2ccc3c(c2)OCCO3)s1 ZINC000588436586 842586344 /nfs/dbraw/zinc/58/63/44/842586344.db2.gz HXIRTLYDQUMOLZ-CLTKARDFSA-N 0 0 393.468 3.864 10 0 GHAERN COc1ccc(C2(CNC(=O)/C=C\c3ccncn3)CCCCC2)cc1OC ZINC000588439159 842735778 /nfs/dbraw/zinc/73/57/78/842735778.db2.gz OGWKYSFLKDMZEU-CLFYSBASSA-N 0 0 381.476 3.525 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1Br ZINC000408210310 842855397 /nfs/dbraw/zinc/85/53/97/842855397.db2.gz ZSLMXCWQQGCRIE-ZACQAIPSSA-N 0 0 395.341 3.983 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)CN(C)c3nc4ccccc4s3)C2)no1 ZINC000328900820 842855414 /nfs/dbraw/zinc/85/54/14/842855414.db2.gz YHVIOJNKWFUTFT-CQSZACIVSA-N 0 0 399.520 3.645 10 0 GHAERN CC(C)c1nc([C@H]2CCCN(C(=O)CN(C)c3nc4ccccc4s3)C2)no1 ZINC000328900819 842855824 /nfs/dbraw/zinc/85/58/24/842855824.db2.gz YHVIOJNKWFUTFT-AWEZNQCLSA-N 0 0 399.520 3.645 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CCO1 ZINC000161731661 843131692 /nfs/dbraw/zinc/13/16/92/843131692.db2.gz FDCZUQCYWCOEPF-QZTJIDSGSA-N 0 0 382.508 3.923 10 0 GHAERN Cc1nc(CCC(=O)N2CCC(Cc3nccn3C)CC2)oc1-c1ccccc1 ZINC000162564722 843275443 /nfs/dbraw/zinc/27/54/43/843275443.db2.gz UYFUKOPSZBBRME-UHFFFAOYSA-N 0 0 392.503 3.797 10 0 GHAERN COC(=O)COc1ccc(NC(=O)/C=C\c2ncccc2C)c2ccccc12 ZINC000588453710 843327896 /nfs/dbraw/zinc/32/78/96/843327896.db2.gz FQYBQDXTCZZPFV-BENRWUELSA-N 0 0 376.412 3.747 10 0 GHAERN C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C[C@@H](C)C1 ZINC000121316439 843333244 /nfs/dbraw/zinc/33/32/44/843333244.db2.gz KNYWRSRKUADZTR-HOTGVXAUSA-N 0 0 375.488 3.508 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112306812 843351470 /nfs/dbraw/zinc/35/14/70/843351470.db2.gz KNQWLDKMOHNTRF-MRXNPFEDSA-N 0 0 386.517 3.625 10 0 GHAERN O=C(/C=C/c1nc2ccccc2s1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307056 843352216 /nfs/dbraw/zinc/35/22/16/843352216.db2.gz QSJJEFRGBQFHMY-CMDGGOBGSA-N 0 0 397.525 3.746 10 0 GHAERN O=C(NCc1csc(CCc2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332963845 845002964 /nfs/dbraw/zinc/00/29/64/845002964.db2.gz KDGVUDYCNBFUGW-GCJKJVERSA-N 0 0 399.560 3.765 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3cccc(OC(C)(C)C)n3)CC2)nc1 ZINC000150842834 845032368 /nfs/dbraw/zinc/03/23/68/845032368.db2.gz YGODKXFXEXLGCN-UHFFFAOYSA-N 0 0 396.535 3.680 10 0 GHAERN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000329514380 861571978 /nfs/dbraw/zinc/57/19/78/861571978.db2.gz CUHNZRZHGSQZOS-NMSZZDKCSA-N 0 0 378.472 3.675 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000248988871 845486691 /nfs/dbraw/zinc/48/66/91/845486691.db2.gz WHBQHUBMBYFITO-GEALJGNFSA-N 0 0 377.444 3.623 10 0 GHAERN C[C@@H](NC(=O)N[C@H]1CCOC2(CCOCC2)C1)c1ccccc1Br ZINC000333006437 845488759 /nfs/dbraw/zinc/48/87/59/845488759.db2.gz ZSYKCVDCPOUYSY-KGLIPLIRSA-N 0 0 397.313 3.538 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccccc3SCc3nc(C)no3)CCO2)o1 ZINC000151828697 845830934 /nfs/dbraw/zinc/83/09/34/845830934.db2.gz KYIKITJSPAQISA-QGZVFWFLSA-N 0 0 399.472 3.785 10 0 GHAERN O=C(Nc1cc(F)ccc1Br)N1CC[C@H](Oc2cccnc2)C1 ZINC000119611765 846083356 /nfs/dbraw/zinc/08/33/56/846083356.db2.gz QGTCFHFGYZVTTN-ZDUSSCGKSA-N 0 0 380.217 3.668 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)NC[C@@H]2CCN(C)c3ccccc32)cc1 ZINC000151982639 846101424 /nfs/dbraw/zinc/10/14/24/846101424.db2.gz ZDVNVSQACJBHLI-FQEVSTJZSA-N 0 0 393.531 3.655 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000329568720 861674518 /nfs/dbraw/zinc/67/45/18/861674518.db2.gz IDHHEWRRVSJDFP-OAHLLOKOSA-N 0 0 384.480 3.846 10 0 GHAERN O=C(OC/C=C\c1cccc(C(F)(F)F)c1)c1cc2c(=O)[nH]cnc2cn1 ZINC000588528094 847662767 /nfs/dbraw/zinc/66/27/67/847662767.db2.gz MFPVMMCYIVMUJI-RQOWECAXSA-N 0 0 375.306 3.619 10 0 GHAERN CCN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@H](C)Cc1ccsc1 ZINC000588531322 847730905 /nfs/dbraw/zinc/73/09/05/847730905.db2.gz SLEBUBNROSWPEP-YYRKOSNBSA-N 0 0 392.546 3.613 10 0 GHAERN CCn1c(-c2cc3c(s2)CCCCCC3)nnc1N1CCn2cnnc2[C@@H]1C ZINC000329634669 861854796 /nfs/dbraw/zinc/85/47/96/861854796.db2.gz XGBJIJFRTRDDJS-AWEZNQCLSA-N 0 0 397.552 3.858 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCCCC[C@H]2c2noc(C)n2)c2ccccc21 ZINC000329637582 861859137 /nfs/dbraw/zinc/85/91/37/861859137.db2.gz AJQNPKCDXOLMNE-XLIONFOSSA-N 0 0 396.491 3.752 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)CCO2)o1 ZINC000153381096 848422023 /nfs/dbraw/zinc/42/20/23/848422023.db2.gz YIHLIJQEYBBADV-ICSRJNTNSA-N 0 0 386.448 3.751 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cc(NC(=O)C4CC4)ccc3C)CCO2)o1 ZINC000153478975 848544533 /nfs/dbraw/zinc/54/45/33/848544533.db2.gz GGDDZVVHNCLHKZ-LJQANCHMSA-N 0 0 383.448 3.850 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@H](NC(N)=O)c3cccs3)C2)sc1C ZINC000329657801 861920674 /nfs/dbraw/zinc/92/06/74/861920674.db2.gz NCEBQDHRRVUNLI-KBPBESRZSA-N 0 0 392.550 3.741 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000153727239 848957650 /nfs/dbraw/zinc/95/76/50/848957650.db2.gz ILBZWRGMZVSZGD-PZJWPPBQSA-N 0 0 396.535 3.552 10 0 GHAERN CCOc1ccccc1C(F)(F)C(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000153996327 849157737 /nfs/dbraw/zinc/15/77/37/849157737.db2.gz WEHQSEGJHUJRBN-AWEZNQCLSA-N 0 0 378.423 3.543 10 0 GHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000155881889 849675927 /nfs/dbraw/zinc/67/59/27/849675927.db2.gz LCPOYNLULWNDGI-LJQANCHMSA-N 0 0 381.476 3.852 10 0 GHAERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000329699380 862104334 /nfs/dbraw/zinc/10/43/34/862104334.db2.gz ZBQCHMLGZSESNG-SFHLNBCPSA-N 0 0 396.535 3.938 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)n1 ZINC000101618435 851756613 /nfs/dbraw/zinc/75/66/13/851756613.db2.gz JBEZFEZXCAVXOX-FQEVSTJZSA-N 0 0 378.476 3.984 10 0 GHAERN CC(C)(C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1)c1ccccc1 ZINC000043146504 851803942 /nfs/dbraw/zinc/80/39/42/851803942.db2.gz ODCLFVYRTAMBLV-UHFFFAOYSA-N 0 0 385.895 3.994 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3nnn(-c4ccc(C)cc4)c3C)C2)n1 ZINC000329772972 862313789 /nfs/dbraw/zinc/31/37/89/862313789.db2.gz LCOMZYREZKDIKF-KRWDZBQOSA-N 0 0 395.532 3.598 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)[C@@H]1O ZINC000333701223 852523923 /nfs/dbraw/zinc/52/39/23/852523923.db2.gz DWVVBTWIFSIUKH-XVMOGABASA-N 0 0 377.428 3.806 10 0 GHAERN Cc1nc2cc(Br)cc(NC(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)c2o1 ZINC000333946616 853252542 /nfs/dbraw/zinc/25/25/42/853252542.db2.gz UVHKIEAJMAMWKG-DMDPSCGWSA-N 0 0 394.269 3.523 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246824351 853253237 /nfs/dbraw/zinc/25/32/37/853253237.db2.gz STEHWRXKCUKBFD-IXDOHACOSA-N 0 0 391.302 3.672 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC000334007201 853321097 /nfs/dbraw/zinc/32/10/97/853321097.db2.gz UPRJIPMQQZYYDJ-UHFFFAOYSA-N 0 0 381.881 3.578 10 0 GHAERN Cc1nc(CN2CCN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)CC2)oc1C ZINC000152995972 854017344 /nfs/dbraw/zinc/01/73/44/854017344.db2.gz KZUIZOVAQWKUGK-NRFANRHFSA-N 0 0 396.535 3.832 10 0 GHAERN O=S(=O)(Nc1ccc(F)cc1Br)c1cccc2ncccc21 ZINC000102319955 854300562 /nfs/dbraw/zinc/30/05/62/854300562.db2.gz INIKHQUKNHTTIG-UHFFFAOYSA-N 0 0 381.226 3.937 10 0 GHAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968177 854636278 /nfs/dbraw/zinc/63/62/78/854636278.db2.gz UBXGSIOKBKKNCT-VQTJNVASSA-N 0 0 385.439 3.555 10 0 GHAERN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)N[C@@H]1CCCc2ccccc21 ZINC000125895987 854771563 /nfs/dbraw/zinc/77/15/63/854771563.db2.gz JCXJECUXTUGVOY-GOSISDBHSA-N 0 0 392.459 3.864 10 0 GHAERN Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162826892 855226025 /nfs/dbraw/zinc/22/60/25/855226025.db2.gz VLACMABTQQBRRH-ZDUSSCGKSA-N 0 0 388.320 3.660 10 0 GHAERN C[C@@H]1C[C@H](c2nc(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)no2)CCC1=O ZINC000330204885 862660182 /nfs/dbraw/zinc/66/01/82/862660182.db2.gz CZLLZKPBFYCHJC-GHMZBOCLSA-N 0 0 398.488 3.722 10 0 GHAERN C[C@@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(F)c(Cl)c1 ZINC000056941958 855416124 /nfs/dbraw/zinc/41/61/24/855416124.db2.gz JZBMMWJEGFBOSL-GFCCVEGCSA-N 0 0 395.887 3.769 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)c2ccc(F)cc2Cl)C[C@H]1C ZINC000190685402 855499380 /nfs/dbraw/zinc/49/93/80/855499380.db2.gz YSDCQEKCPPOUHD-OCCSQVGLSA-N 0 0 384.879 3.597 10 0 GHAERN CCc1nnc(C2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)CC2)[nH]1 ZINC000191481951 855664875 /nfs/dbraw/zinc/66/48/75/855664875.db2.gz CTNOBQGNJAHUMP-LLVKDONJSA-N 0 0 397.306 3.847 10 0 GHAERN C[C@H](CC1CCCCC1)NC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000194465653 856008099 /nfs/dbraw/zinc/00/80/99/856008099.db2.gz ZFZFOSSCWKTASD-ZIAGYGMSSA-N 0 0 384.517 3.948 10 0 GHAERN COc1ccccc1CCN(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000104711323 856374404 /nfs/dbraw/zinc/37/44/04/856374404.db2.gz YBPHAPBPRSVSMK-UHFFFAOYSA-N 0 0 381.501 3.592 10 0 GHAERN O=C(/C=C/c1cccc2cccnc12)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000042663941 856411277 /nfs/dbraw/zinc/41/12/77/856411277.db2.gz NBZPYZOPYNMARJ-TZZQJPOUSA-N 0 0 383.455 3.697 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000172226182 856466403 /nfs/dbraw/zinc/46/64/03/856466403.db2.gz WJANPVRDJTYGQQ-HZPDHXFCSA-N 0 0 387.505 3.955 10 0 GHAERN NC(=O)Nc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000113217574 856994839 /nfs/dbraw/zinc/99/48/39/856994839.db2.gz MPDUEQOHUUAZIU-KRWDZBQOSA-N 0 0 389.459 3.587 10 0 GHAERN Cc1ccc(C)c(OCCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000061546897 857528514 /nfs/dbraw/zinc/52/85/14/857528514.db2.gz ORCGBWNRTQSTIM-UHFFFAOYSA-N 0 0 386.536 3.714 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cc2c([nH]c1=O)CCCC2 ZINC000129830229 857901289 /nfs/dbraw/zinc/90/12/89/857901289.db2.gz YXHQHVLXSWHPON-LJQANCHMSA-N 0 0 378.472 3.820 10 0 GHAERN Cc1ccn2c(c1)ncc(C(=O)N[C@@H]1CC3(CCCC3)Oc3ccccc31)c2=O ZINC000129853713 858011452 /nfs/dbraw/zinc/01/14/52/858011452.db2.gz NALCSMQIILLTHP-GOSISDBHSA-N 0 0 389.455 3.569 10 0 GHAERN COc1cc(C2(C(=O)N[C@@H]3CCc4nc(C(C)C)nn4C3)CCCC2)ccc1C ZINC000133857198 858820060 /nfs/dbraw/zinc/82/00/60/858820060.db2.gz MFWUNFFSZXHPRQ-GOSISDBHSA-N 0 0 396.535 3.662 10 0 GHAERN Brc1ccc(Cc2nc(CN3CCO[C@H]4CCCC[C@H]43)no2)cc1 ZINC000247601904 859405154 /nfs/dbraw/zinc/40/51/54/859405154.db2.gz UUQLLWYUUJBLHU-CVEARBPZSA-N 0 0 392.297 3.566 10 0 GHAERN CCOc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1 ZINC000105378601 859819579 /nfs/dbraw/zinc/81/95/79/859819579.db2.gz COVAAGOTQOTCSN-FUHWJXTLSA-N 0 0 396.487 3.633 10 0 GHAERN O=C(NCCCOC1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000011355696 860068782 /nfs/dbraw/zinc/06/87/82/860068782.db2.gz VWTLAZDUUMWRQK-UHFFFAOYSA-N 0 0 390.499 3.534 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2NC1=O ZINC000021449085 860235160 /nfs/dbraw/zinc/23/51/60/860235160.db2.gz IDPGKVXJHDLNGD-GFCCVEGCSA-N 0 0 395.390 3.771 10 0 GHAERN COc1ccccc1CC1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000102410582 860262569 /nfs/dbraw/zinc/26/25/69/860262569.db2.gz MQZDWQLQFYUMMN-UHFFFAOYSA-N 0 0 398.503 3.606 10 0 GHAERN Cc1cc(-c2cc(C(=O)N3CCN4CCCC[C@H]4C3)c3c(C)noc3n2)c(C)o1 ZINC000195073269 860423002 /nfs/dbraw/zinc/42/30/02/860423002.db2.gz LBOGUAQFXAYMRE-INIZCTEOSA-N 0 0 394.475 3.718 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC3(c4ccc(Cl)cc4)CC3)C2)no1 ZINC000171369899 860424880 /nfs/dbraw/zinc/42/48/80/860424880.db2.gz MXTGOQMALBQJGV-OAHLLOKOSA-N 0 0 388.899 3.727 10 0 GHAERN CC(C)(CNC(=O)N1CCN(c2nc3ccccc3o2)CC1)c1cccs1 ZINC000172380473 860432819 /nfs/dbraw/zinc/43/28/19/860432819.db2.gz RYYLXDWVGKJENA-UHFFFAOYSA-N 0 0 384.505 3.699 10 0 GHAERN O=C(Nc1nc2c(s1)CCCC2)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172639947 860434890 /nfs/dbraw/zinc/43/48/90/860434890.db2.gz WTIWQEKPMWXUPQ-UHFFFAOYSA-N 0 0 383.477 3.517 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)COc3cccc4c3OC(C)(C)C4)C2)n1 ZINC000173069366 860435968 /nfs/dbraw/zinc/43/59/68/860435968.db2.gz ZRUWCMUPVKAPAQ-MRXNPFEDSA-N 0 0 386.517 3.950 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@H](N2CCOCC2)C1)C(C)C ZINC000173909472 860444349 /nfs/dbraw/zinc/44/43/49/860444349.db2.gz AJCBCTAUEGEMAS-PXNSSMCTSA-N 0 0 385.508 3.554 10 0 GHAERN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000102905032 860620942 /nfs/dbraw/zinc/62/09/42/860620942.db2.gz NRUZMRYPQXKTOG-NHCUHLMSSA-N 0 0 386.467 3.939 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)N(C)CCOc3ccccc3C)C2)c1 ZINC000102464164 860694411 /nfs/dbraw/zinc/69/44/11/860694411.db2.gz PJCFFHIVZIALGO-LJQANCHMSA-N 0 0 397.519 3.550 10 0 GHAERN C[C@H](NC(=O)C(C)(C)c1cccc(Br)c1)C(=O)N1CCCC[C@H]1C ZINC000102492287 860704014 /nfs/dbraw/zinc/70/40/14/860704014.db2.gz BNHFVJIDLSFPQH-KGLIPLIRSA-N 0 0 395.341 3.632 10 0 GHAERN CCc1nnc([C@@H]2CN(C(=O)Cc3coc4cc(C)c(C(C)C)cc34)CCO2)[nH]1 ZINC000173093118 860795968 /nfs/dbraw/zinc/79/59/68/860795968.db2.gz HWMIXBPXMXRQJF-IBGZPJMESA-N 0 0 396.491 3.688 10 0 GHAERN Cc1cccc(OC[C@H](O)CNC(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000102954505 860917414 /nfs/dbraw/zinc/91/74/14/860917414.db2.gz PWMLXZOTWMJGQF-CYBMUJFWSA-N 0 0 386.345 3.714 10 0 GHAERN Cc1cc(-c2noc([C@@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060956 860985301 /nfs/dbraw/zinc/98/53/01/860985301.db2.gz USISTBDTERIXDY-DOMZBBRYSA-N 0 0 383.427 3.995 10 0 GHAERN CC(C)c1noc(CCCNC(=O)N[C@H](c2ccccc2)c2ccncc2)n1 ZINC000103181522 863903423 /nfs/dbraw/zinc/90/34/23/863903423.db2.gz DOQZIXFVOOUWAI-LJQANCHMSA-N 0 0 379.464 3.609 10 0 GHAERN CC(=O)N(CCC(=O)NCCc1c[nH]c2cccc(C)c12)Cc1ccccc1 ZINC000103127993 863926550 /nfs/dbraw/zinc/92/65/50/863926550.db2.gz XCPQSVJTJXHAGV-UHFFFAOYSA-N 0 0 377.488 3.574 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)c21 ZINC000103129840 863927608 /nfs/dbraw/zinc/92/76/08/863927608.db2.gz ZBESOUAUSKOMLH-CYBMUJFWSA-N 0 0 379.485 3.882 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Cc3csc(-c4cccnc4)n3)c21 ZINC000103129419 863927660 /nfs/dbraw/zinc/92/76/60/863927660.db2.gz MQKQKKVNPOUJFH-UHFFFAOYSA-N 0 0 376.485 3.896 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000103291421 863940499 /nfs/dbraw/zinc/94/04/99/863940499.db2.gz NMKWYFQMGXGAPM-UHFFFAOYSA-N 0 0 382.468 3.575 10 0 GHAERN O=C(CCc1nc(-c2ccncc2)no1)Nc1nnc(CC2CCCCC2)s1 ZINC000103420933 863977555 /nfs/dbraw/zinc/97/75/55/863977555.db2.gz RKUMWPDZCCGVNK-UHFFFAOYSA-N 0 0 398.492 3.677 10 0 GHAERN O=S(=O)(c1cccc2ncccc21)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103496980 864038057 /nfs/dbraw/zinc/03/80/57/864038057.db2.gz VIIMBHFAWGBLAI-GOSISDBHSA-N 0 0 388.876 3.650 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000103868398 864101147 /nfs/dbraw/zinc/10/11/47/864101147.db2.gz ZBRKDTQTDYRTCQ-UHFFFAOYSA-N 0 0 387.549 3.847 10 0 GHAERN O=C(NCCc1csc(-c2ccccc2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178103963 864502841 /nfs/dbraw/zinc/50/28/41/864502841.db2.gz QBJAQOJFIWZQKY-UTKZUKDTSA-N 0 0 385.533 3.689 10 0 GHAERN C[C@H]1SCCN(C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)[C@@H]1C ZINC000128867712 864502998 /nfs/dbraw/zinc/50/29/98/864502998.db2.gz RXBXTGQVIXYZRO-NXEZZACHSA-N 0 0 386.308 3.932 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)C3(c4cccc(C)c4)CCCCC3)CC2)n1 ZINC000110893323 866661342 /nfs/dbraw/zinc/66/13/42/866661342.db2.gz IGTGJWKBEYLHKI-GOSISDBHSA-N 0 0 396.535 3.794 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCC1(c3ccc(Cl)cc3)CC1)C2 ZINC000112748354 866739021 /nfs/dbraw/zinc/73/90/21/866739021.db2.gz UZKQDJNORQPHON-UHFFFAOYSA-N 0 0 386.927 3.996 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NCCc3csc(CC)n3)C2)n1 ZINC000113611796 866759463 /nfs/dbraw/zinc/75/94/63/866759463.db2.gz LPWNRLHRBOKCPJ-CYBMUJFWSA-N 0 0 378.567 3.856 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000114569796 866768924 /nfs/dbraw/zinc/76/89/24/866768924.db2.gz WRXHQDQAQKCHGK-VQTJNVASSA-N 0 0 398.507 3.964 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000114567191 866768959 /nfs/dbraw/zinc/76/89/59/866768959.db2.gz MJPVSAZHHQHHSM-SFHVURJKSA-N 0 0 381.480 3.533 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)nn1-c1ccccc1Cl ZINC000180146274 866814944 /nfs/dbraw/zinc/81/49/44/866814944.db2.gz QMQGJMKHFQYAIV-MGPUTAFESA-N 0 0 388.899 3.993 10 0 GHAERN Cc1ccccc1OCCCC(=O)N1CCC(NC(=O)c2cccs2)CC1 ZINC000169871328 882030385 /nfs/dbraw/zinc/03/03/85/882030385.db2.gz HYRAQRZBGRFPGJ-UHFFFAOYSA-N 0 0 386.517 3.637 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(Br)cnc1Cl ZINC000171308591 882098025 /nfs/dbraw/zinc/09/80/25/882098025.db2.gz NKONSPPRVVRROR-UHFFFAOYSA-N 0 0 379.601 3.800 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)C3CCN(C(=O)c4cccs4)CC3)c21 ZINC000171346573 882100510 /nfs/dbraw/zinc/10/05/10/882100510.db2.gz QCCQRISVWFTDHR-UHFFFAOYSA-N 0 0 395.528 3.749 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151501490 867679762 /nfs/dbraw/zinc/67/97/62/867679762.db2.gz ACSABQCLJKOYLL-ORAYPTAESA-N 0 0 394.302 3.946 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCCN(Cc2cscn2)CC1 ZINC000171023187 882108838 /nfs/dbraw/zinc/10/88/38/882108838.db2.gz SLTDPUVNKIUPQX-UHFFFAOYSA-N 0 0 390.559 3.676 10 0 GHAERN Cc1c(C(=O)Nc2cccc(-c3ncon3)c2)nnn1-c1ccccc1Cl ZINC000171538386 882139688 /nfs/dbraw/zinc/13/96/88/882139688.db2.gz ARGKKADHFSXGQF-UHFFFAOYSA-N 0 0 380.795 3.531 10 0 GHAERN Cc1cccnc1[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)C(C)C ZINC000172083089 882167595 /nfs/dbraw/zinc/16/75/95/882167595.db2.gz BOCCIQXWBMTDOO-SFHVURJKSA-N 0 0 385.533 3.817 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000172222256 882188649 /nfs/dbraw/zinc/18/86/49/882188649.db2.gz PINHMKGSNHZDPJ-KGLIPLIRSA-N 0 0 375.494 3.811 10 0 GHAERN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000172290759 882194363 /nfs/dbraw/zinc/19/43/63/882194363.db2.gz YKBRREFCRPILRK-OAHLLOKOSA-N 0 0 378.480 3.897 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1C ZINC000248453591 869226495 /nfs/dbraw/zinc/22/64/95/869226495.db2.gz ZCDNNGUREBEOOM-QILLFSRXSA-N 0 0 379.526 3.799 10 0 GHAERN NC(=O)c1ccc(NCC(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)cc1 ZINC000172700166 882286630 /nfs/dbraw/zinc/28/66/30/882286630.db2.gz FZAYRKYNPHWEFJ-LJQANCHMSA-N 0 0 399.903 3.818 10 0 GHAERN Cc1cccc(NC2CCN(C(=O)NC[C@H](CCO)c3ccccc3)CC2)c1 ZINC000172660088 882283709 /nfs/dbraw/zinc/28/37/09/882283709.db2.gz JRCUIJHTLKPCLM-FQEVSTJZSA-N 0 0 381.520 3.747 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000172503647 882291293 /nfs/dbraw/zinc/29/12/93/882291293.db2.gz OCFXNSILLIBVLK-CQSZACIVSA-N 0 0 378.432 3.676 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000172784686 882307210 /nfs/dbraw/zinc/30/72/10/882307210.db2.gz CWMNDUJXIUMDBM-HXUWFJFHSA-N 0 0 379.504 3.837 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)c(Cl)c1 ZINC000172881417 882316627 /nfs/dbraw/zinc/31/66/27/882316627.db2.gz KCHQUQLKVNENTP-ZDUSSCGKSA-N 0 0 389.858 3.604 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)n1 ZINC000173164365 882337157 /nfs/dbraw/zinc/33/71/57/882337157.db2.gz DFCYIQIIDMKPED-AWEZNQCLSA-N 0 0 398.488 3.516 10 0 GHAERN CCCCN(Cc1ncc(-c2ccccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000173355888 882355516 /nfs/dbraw/zinc/35/55/16/882355516.db2.gz MCQMAGZCEKMCCM-CQSZACIVSA-N 0 0 382.913 3.784 10 0 GHAERN CCC(CC)(CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000173390604 882359108 /nfs/dbraw/zinc/35/91/08/882359108.db2.gz DSYCGPGGFVUIOB-UHFFFAOYSA-N 0 0 393.531 3.808 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3CCC(c4ccnn4CCO)CC3)cc21 ZINC000173470770 882363966 /nfs/dbraw/zinc/36/39/66/882363966.db2.gz WEIZWHUPXRNQPR-UHFFFAOYSA-N 0 0 395.507 3.652 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cc(NC(C)=O)ccc2F)CC1 ZINC000102379098 882366171 /nfs/dbraw/zinc/36/61/71/882366171.db2.gz OMLHSRBQTYAAJE-UHFFFAOYSA-N 0 0 384.451 3.888 10 0 GHAERN O=C(N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21)N[C@@H]1CCCC[C@@H]1O ZINC000185371589 870208250 /nfs/dbraw/zinc/20/82/50/870208250.db2.gz YBFKKHAAASQIDI-OAGGEKHMSA-N 0 0 389.496 3.929 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000187001997 870245059 /nfs/dbraw/zinc/24/50/59/870245059.db2.gz TUNKIJANJSFXBU-RBZFPXEDSA-N 0 0 391.418 3.995 10 0 GHAERN O=C(Nc1ccc(COCc2ccccc2)cc1)N1CCC(n2cncn2)CC1 ZINC000173700600 882393342 /nfs/dbraw/zinc/39/33/42/882393342.db2.gz JCVPVHWEROXKNM-UHFFFAOYSA-N 0 0 391.475 3.864 10 0 GHAERN CCc1c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cnn1-c1ccccc1C ZINC000191650614 870385411 /nfs/dbraw/zinc/38/54/11/870385411.db2.gz AYDGLQTYOQXSDT-VGOFRKELSA-N 0 0 382.508 3.902 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCC(Nc2ccccc2F)CC1 ZINC000174071854 882421188 /nfs/dbraw/zinc/42/11/88/882421188.db2.gz CJYZWXCRRAVQGF-UHFFFAOYSA-N 0 0 385.464 3.587 10 0 GHAERN O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000106569070 870618277 /nfs/dbraw/zinc/61/82/77/870618277.db2.gz IBTAHMCGNBZADL-SFHVURJKSA-N 0 0 389.503 3.731 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000106368557 870618717 /nfs/dbraw/zinc/61/87/17/870618717.db2.gz MROVYDHOWPMROX-SNVBAGLBSA-N 0 0 394.349 3.931 10 0 GHAERN COC(=O)c1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(F)cc1F ZINC000114809233 870629794 /nfs/dbraw/zinc/62/97/94/870629794.db2.gz YMOXGFFHCJFPRN-SNVBAGLBSA-N 0 0 381.404 3.619 10 0 GHAERN CCc1cccc(C)c1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174220042 882437127 /nfs/dbraw/zinc/43/71/27/882437127.db2.gz MKURHOSIKSATEC-UHFFFAOYSA-N 0 0 383.496 3.558 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)CCO2)n1 ZINC000153187454 870735336 /nfs/dbraw/zinc/73/53/36/870735336.db2.gz QZLITLBSNVFOFC-UQASEVPWSA-N 0 0 382.508 3.549 10 0 GHAERN O=C(Nc1ccc2ccccc2c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174230338 882439281 /nfs/dbraw/zinc/43/92/81/882439281.db2.gz QZSAUGLNCWDRNM-UHFFFAOYSA-N 0 0 391.475 3.840 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)CC2)nc1 ZINC000174587461 882484405 /nfs/dbraw/zinc/48/44/05/882484405.db2.gz PKMWNVWYUVCOBI-UNMCSNQZSA-N 0 0 394.519 3.578 10 0 GHAERN CCOC(=O)c1cc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)ccc1F ZINC000103155809 871366390 /nfs/dbraw/zinc/36/63/90/871366390.db2.gz UMRFEBJPOHRLGD-UHFFFAOYSA-N 0 0 395.452 3.729 10 0 GHAERN CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000103187621 871422214 /nfs/dbraw/zinc/42/22/14/871422214.db2.gz PTOQTNLCQVLVHK-UHFFFAOYSA-N 0 0 384.867 3.982 10 0 GHAERN O=C(CCc1nnc(-c2ccsc2)o1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174965160 882510899 /nfs/dbraw/zinc/51/08/99/882510899.db2.gz MOPCHAVTWFIHLP-UHFFFAOYSA-N 0 0 399.476 3.577 10 0 GHAERN O=C(OCc1nccn1CC(F)(F)F)c1ccn(-c2cccc(Cl)c2)n1 ZINC000103219801 871494988 /nfs/dbraw/zinc/49/49/88/871494988.db2.gz SHRVJHGJZKFSHJ-UHFFFAOYSA-N 0 0 384.745 3.642 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)nc21 ZINC000175056072 882520193 /nfs/dbraw/zinc/52/01/93/882520193.db2.gz LAROFPJIWCFTIV-UHFFFAOYSA-N 0 0 390.487 3.681 10 0 GHAERN COc1c(C)cc(CN(C)Cn2ncn(CCc3ccccn3)c2=S)cc1C ZINC000103264941 871559570 /nfs/dbraw/zinc/55/95/70/871559570.db2.gz JGMUIAMKLLTISM-UHFFFAOYSA-N 0 0 397.548 3.767 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(N4CCCNC4=O)c3)C2)cc1 ZINC000175348618 882544614 /nfs/dbraw/zinc/54/46/14/882544614.db2.gz KDDXMYKRLNTYJA-QFBILLFUSA-N 0 0 393.487 3.633 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3csc(-c4ccccn4)n3)C2)c1 ZINC000175392732 882550024 /nfs/dbraw/zinc/55/00/24/882550024.db2.gz TWAPWQGIFVXQCN-CQSZACIVSA-N 0 0 395.484 3.852 10 0 GHAERN O=C(c1cc(F)c(Cl)nc1Cl)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000103374558 871855350 /nfs/dbraw/zinc/85/53/50/871855350.db2.gz WZRQVBQHALVQNI-UWVGGRQHSA-N 0 0 379.284 3.654 10 0 GHAERN C[C@H](Cc1ccc(Br)cc1)NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000163725018 871861763 /nfs/dbraw/zinc/86/17/63/871861763.db2.gz YRBJHDLWDYJZNH-OGWOLHLISA-N 0 0 395.341 3.717 10 0 GHAERN COc1ccccc1[C@H](CC(C)C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000175246170 882561344 /nfs/dbraw/zinc/56/13/44/882561344.db2.gz GEESCLKNFZXZFU-IBGZPJMESA-N 0 0 397.523 3.541 10 0 GHAERN CCS[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175263452 882562532 /nfs/dbraw/zinc/56/25/32/882562532.db2.gz JTRJWGZQFVALOA-RTBURBONSA-N 0 0 392.540 3.858 10 0 GHAERN COCCOc1ccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)c(C)c1 ZINC000175269400 882562957 /nfs/dbraw/zinc/56/29/57/882562957.db2.gz HYDHADLOSKWVMP-UHFFFAOYSA-N 0 0 398.507 3.514 10 0 GHAERN COc1ccc2cc([C@H](C)C(=O)NCCCNC(=O)OC(C)(C)C)ccc2c1 ZINC000103444620 872000032 /nfs/dbraw/zinc/00/00/32/872000032.db2.gz OZAFIIMPRJFQFA-HNNXBMFYSA-N 0 0 386.492 3.983 10 0 GHAERN COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N(C)c2ccc(C)cc2)cc1OC ZINC000101526991 872066861 /nfs/dbraw/zinc/06/68/61/872066861.db2.gz JDSZKXSTGRIMQE-HOCLYGCPSA-N 0 0 382.460 3.883 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CCC2(C1)CCCCC2 ZINC000175442217 882581652 /nfs/dbraw/zinc/58/16/52/882581652.db2.gz ICCDNXQBKCVPDK-UHFFFAOYSA-N 0 0 379.460 3.769 10 0 GHAERN CCc1cc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)ncn1 ZINC000175475029 882584588 /nfs/dbraw/zinc/58/45/88/882584588.db2.gz GXZZBRYNAYXDJX-UHFFFAOYSA-N 0 0 397.548 3.568 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000175592632 882600293 /nfs/dbraw/zinc/60/02/93/882600293.db2.gz QUAPIQRMXFBXGC-UHFFFAOYSA-N 0 0 384.505 3.841 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000102027844 872491985 /nfs/dbraw/zinc/49/19/85/872491985.db2.gz PFFCDQUJADKXIC-UHFFFAOYSA-N 0 0 396.919 3.524 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NC[C@@H]3CCN(c4ccc(F)cc4)C3)nc21 ZINC000175804481 882632570 /nfs/dbraw/zinc/63/25/70/882632570.db2.gz VPFIGGBOCMTOPJ-INIZCTEOSA-N 0 0 380.467 3.586 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3coc(Br)c3)C2)o1 ZINC000102142211 872639196 /nfs/dbraw/zinc/63/91/96/872639196.db2.gz SKJMOHWLHVQKEP-GFCCVEGCSA-N 0 0 396.237 3.653 10 0 GHAERN CCOc1ccccc1Oc1ccccc1C(=O)N1CCC(n2cncn2)CC1 ZINC000176220070 882647150 /nfs/dbraw/zinc/64/71/50/882647150.db2.gz QWVAALRFVRRZOG-UHFFFAOYSA-N 0 0 392.459 3.946 10 0 GHAERN CCOc1ccc(C(=O)NCC(=O)Nc2cnccc2-c2cccc(F)c2)cc1 ZINC000176109674 882668119 /nfs/dbraw/zinc/66/81/19/882668119.db2.gz JOGWHAWZYJVYCC-UHFFFAOYSA-N 0 0 393.418 3.655 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)/C=C/c3nc4ccccc4s3)C2)c1 ZINC000102383309 872987009 /nfs/dbraw/zinc/98/70/09/872987009.db2.gz IYWJUVSAEQLVQM-SCOAYWHSSA-N 0 0 393.512 3.961 10 0 GHAERN COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1Cn1ccnc1 ZINC000176340440 882680841 /nfs/dbraw/zinc/68/08/41/882680841.db2.gz UHMOKTPFKQEMTH-AWEZNQCLSA-N 0 0 393.285 3.659 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3nc4c(cccc4C)[nH]3)C2)c1 ZINC000176389334 882687559 /nfs/dbraw/zinc/68/75/59/882687559.db2.gz JBKLEEKNSCXIPG-MRXNPFEDSA-N 0 0 393.487 3.837 10 0 GHAERN O=C(Nc1ccccc1C(=O)N1CCCC1)NC1CCN(c2cccs2)CC1 ZINC000176503949 882699920 /nfs/dbraw/zinc/69/99/20/882699920.db2.gz DWKUKIRMTYTPBG-UHFFFAOYSA-N 0 0 398.532 3.775 10 0 GHAERN CCS[C@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000176736413 882708566 /nfs/dbraw/zinc/70/85/66/882708566.db2.gz CWWGOGHAQCWGRY-MOPGFXCFSA-N 0 0 392.540 3.858 10 0 GHAERN O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161564470 873379478 /nfs/dbraw/zinc/37/94/78/873379478.db2.gz MIMIQEGJHDAXLQ-WOJBJXKFSA-N 0 0 375.557 3.826 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)NCc3nc(-c4cccc(Cl)c4)no3)nc21 ZINC000176585965 882716215 /nfs/dbraw/zinc/71/62/15/882716215.db2.gz CSSHESBDKBACMH-UHFFFAOYSA-N 0 0 395.850 3.824 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)c3ccncc3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744518 873526180 /nfs/dbraw/zinc/52/61/80/873526180.db2.gz MVIFLOKMZSKHLN-STQMWFEESA-N 0 0 379.382 3.966 10 0 GHAERN Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)cnn1C ZINC000102744388 873526481 /nfs/dbraw/zinc/52/64/81/873526481.db2.gz XEZHKUYOQXVHBS-VXGBXAGGSA-N 0 0 396.413 3.613 10 0 GHAERN Cc1cc(N2CCC(NC(=O)N3CC=C(c4cccs4)CC3)CC2)nc(C)n1 ZINC000176888830 882747136 /nfs/dbraw/zinc/74/71/36/882747136.db2.gz VKSAOMGTVYKDFN-UHFFFAOYSA-N 0 0 397.548 3.623 10 0 GHAERN O=C1C[C@H](c2cccc(F)c2)CN1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000102885172 873791476 /nfs/dbraw/zinc/79/14/76/873791476.db2.gz ZWNVPMMABDQNFL-PXNSSMCTSA-N 0 0 388.870 3.826 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)NC3CCN(c4cccc(C)n4)CC3)c2)no1 ZINC000117003636 873846636 /nfs/dbraw/zinc/84/66/36/873846636.db2.gz QKXSPIMEBYNISV-UHFFFAOYSA-N 0 0 392.463 3.539 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCN(C)c3ccccc32)no1 ZINC000177436092 882798160 /nfs/dbraw/zinc/79/81/60/882798160.db2.gz SOPBAUVDTASHAK-YJBOKZPZSA-N 0 0 383.496 3.663 10 0 GHAERN CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117724245 874149638 /nfs/dbraw/zinc/14/96/38/874149638.db2.gz YVNQOAIXLBFOOH-UHFFFAOYSA-N 0 0 375.515 3.860 10 0 GHAERN COc1cc(F)c(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1F ZINC000177349073 882821067 /nfs/dbraw/zinc/82/10/67/882821067.db2.gz XAHUWXKUTVIQFQ-UHFFFAOYSA-N 0 0 395.450 3.620 10 0 GHAERN O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000177749993 882823713 /nfs/dbraw/zinc/82/37/13/882823713.db2.gz MIBRVBNQHRBRCS-JHTBKMLMSA-N 0 0 392.434 3.914 10 0 GHAERN CCOCCC1(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)CCCC1 ZINC000177778489 882824461 /nfs/dbraw/zinc/82/44/61/882824461.db2.gz CLSKGIIECMJITJ-UHFFFAOYSA-N 0 0 392.565 3.704 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)Nc3nnc(C(F)F)s3)C2)c1 ZINC000177802832 882827882 /nfs/dbraw/zinc/82/78/82/882827882.db2.gz FZRPLEBUKPJQQN-VIFPVBQESA-N 0 0 384.408 3.514 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccc(-c2ccncc2)cc1 ZINC000177586158 882835148 /nfs/dbraw/zinc/83/51/48/882835148.db2.gz LHKUGLIXZJRLAB-UTKZUKDTSA-N 0 0 375.476 3.880 10 0 GHAERN CCn1c(-c2ccncc2)nn(CN(C)CCc2ccccc2OC)c1=S ZINC000104653723 874610301 /nfs/dbraw/zinc/61/03/01/874610301.db2.gz CBENYNMDLKNZTL-UHFFFAOYSA-N 0 0 383.521 3.637 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(F)c1 ZINC000178133070 882888063 /nfs/dbraw/zinc/88/80/63/882888063.db2.gz BHTLZUUHVNSBNV-FQEVSTJZSA-N 0 0 397.494 3.977 10 0 GHAERN O=C(Nc1ccc(-c2ccccc2)nn1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000178463212 882894152 /nfs/dbraw/zinc/89/41/52/882894152.db2.gz FPVSBXKZKXSKTL-KRWDZBQOSA-N 0 0 399.458 3.598 10 0 GHAERN O=C(c1ccccc1COC1CCOCC1)N1CCC[C@H](c2nccs2)C1 ZINC000178733740 882916616 /nfs/dbraw/zinc/91/66/16/882916616.db2.gz MKLHRNQODULTCD-INIZCTEOSA-N 0 0 386.517 3.859 10 0 GHAERN Cc1nc(COC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)oc1C ZINC000105513736 875314310 /nfs/dbraw/zinc/31/43/10/875314310.db2.gz PFAVKUNBGBUBQC-JYJNAYRXSA-N 0 0 378.469 3.903 10 0 GHAERN O=C(Nc1n[nH]c2c1cccc2Cl)C1CCN(C(=O)c2cccs2)CC1 ZINC000178593188 882924485 /nfs/dbraw/zinc/92/44/85/882924485.db2.gz NGPRTAXCEJUBKV-UHFFFAOYSA-N 0 0 388.880 3.769 10 0 GHAERN Cc1cc(=O)oc2cc(OC(=O)c3ccc(-n4cnnc4)cc3)c(Cl)cc12 ZINC000105758999 875419070 /nfs/dbraw/zinc/41/90/70/875419070.db2.gz SEONFUVNYSACLD-UHFFFAOYSA-N 0 0 381.775 3.555 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(c2nc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000178930749 882937417 /nfs/dbraw/zinc/93/74/17/882937417.db2.gz BVMCUPHOSJQDHO-UHFFFAOYSA-N 0 0 393.418 3.830 10 0 GHAERN Cc1cccc(C)c1-n1nnnc1SCC(=O)N1CCC[C@H]1c1cccs1 ZINC000021851706 876074658 /nfs/dbraw/zinc/07/46/58/876074658.db2.gz BIVOPLWEVBYMQS-HNNXBMFYSA-N 0 0 399.545 3.796 10 0 GHAERN O=C(c1ccc2noc(-c3ccc(F)cc3)c2c1)N1CCC(n2cncn2)CC1 ZINC000121165024 876572716 /nfs/dbraw/zinc/57/27/16/876572716.db2.gz JUHOIZGQLPKMIQ-UHFFFAOYSA-N 0 0 391.406 3.703 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(C(=O)C[C@H](O)c2ccccc2)CC1 ZINC000180278865 883072492 /nfs/dbraw/zinc/07/24/92/883072492.db2.gz DOUUKOJMZOXIFG-NRFANRHFSA-N 0 0 377.488 3.886 10 0 GHAERN CCC(CC)n1nc(C)cc1C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000180695347 883094400 /nfs/dbraw/zinc/09/44/00/883094400.db2.gz HGQLVIWWEJDCFC-UHFFFAOYSA-N 0 0 388.537 3.602 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000180733248 883097299 /nfs/dbraw/zinc/09/72/99/883097299.db2.gz YYKCOJFVXNUKSN-IBGZPJMESA-N 0 0 390.443 3.723 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1)c1cccs1 ZINC000180893557 883106501 /nfs/dbraw/zinc/10/65/01/883106501.db2.gz YANCSAFKTYCXDX-OAHLLOKOSA-N 0 0 386.452 3.587 10 0 GHAERN CC(C)Cc1ccc([C@H](C)NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cc1 ZINC000004308992 877672640 /nfs/dbraw/zinc/67/26/40/877672640.db2.gz ZMSJANXUONKOAW-SAHWJRBASA-N 0 0 399.535 3.563 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000023879935 877916866 /nfs/dbraw/zinc/91/68/66/877916866.db2.gz ZDXBWNLWHDXTMX-FIIODCPWSA-N 0 0 394.519 3.823 10 0 GHAERN COc1ccc([C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2nccn2C)cc1 ZINC000024026299 878058680 /nfs/dbraw/zinc/05/86/80/878058680.db2.gz VGDRTPUTAOTBAK-AWEZNQCLSA-N 0 0 379.247 3.583 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000122330351 878753997 /nfs/dbraw/zinc/75/39/97/878753997.db2.gz OHUQWNAMLVTVNP-CRAIPNDOSA-N 0 0 387.501 3.507 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000122643371 879237344 /nfs/dbraw/zinc/23/73/44/879237344.db2.gz VBKWQOHAGBSRKV-GDBMZVCRSA-N 0 0 380.391 3.679 10 0 GHAERN Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)/C=C/c2c(F)cccc2F)o1 ZINC000122871417 879592171 /nfs/dbraw/zinc/59/21/71/879592171.db2.gz LSZTWCHLYWFDIG-JBVUFVISSA-N 0 0 381.382 3.996 10 0 GHAERN O=C(/C=C/c1c(F)cccc1F)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000123392763 880306473 /nfs/dbraw/zinc/30/64/73/880306473.db2.gz GLPOOGJPRNDKIT-AUECHBEKSA-N 0 0 386.446 3.702 10 0 GHAERN COCc1nnc(-c2cccc(C(=O)N3CCC(c4nc(C)cs4)CC3)c2)o1 ZINC000182029199 883200064 /nfs/dbraw/zinc/20/00/64/883200064.db2.gz CVOARRLFLOCTNT-UHFFFAOYSA-N 0 0 398.488 3.668 10 0 GHAERN CSCCCCCCNC(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000182025974 883200481 /nfs/dbraw/zinc/20/04/81/883200481.db2.gz VKOIYWGSFDDPCF-MRXNPFEDSA-N 0 0 380.489 3.829 10 0 GHAERN CSCCCCCCNC(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000182025994 883200883 /nfs/dbraw/zinc/20/08/83/883200883.db2.gz VKOIYWGSFDDPCF-INIZCTEOSA-N 0 0 380.489 3.829 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000182625515 883229049 /nfs/dbraw/zinc/22/90/49/883229049.db2.gz MQQHWIASYFSTGL-HXUWFJFHSA-N 0 0 389.459 3.816 10 0 GHAERN CC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(C(F)(F)F)c1 ZINC000183065759 883259266 /nfs/dbraw/zinc/25/92/66/883259266.db2.gz KTECXQXTRSUKID-CQSZACIVSA-N 0 0 396.373 3.541 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000183727591 883283541 /nfs/dbraw/zinc/28/35/41/883283541.db2.gz STNDNOBJENFBJC-UHFFFAOYSA-N 0 0 390.491 3.675 10 0 GHAERN CCC1(CNC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000184013164 883298208 /nfs/dbraw/zinc/29/82/08/883298208.db2.gz HWVZFLFQBZBOGK-LJQANCHMSA-N 0 0 375.488 3.889 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@H](C)c3nc(C)cs3)C2)c1 ZINC000183918464 883310618 /nfs/dbraw/zinc/31/06/18/883310618.db2.gz RVMVHIUXAJZEGJ-DZGCQCFKSA-N 0 0 389.521 3.771 10 0 GHAERN CCCN(C)c1ccc(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000184164261 883325849 /nfs/dbraw/zinc/32/58/49/883325849.db2.gz OIRLMAHOYMUHPR-QFIPXVFZSA-N 0 0 397.494 3.895 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000184662885 883371692 /nfs/dbraw/zinc/37/16/92/883371692.db2.gz SLBBATBAQNVSAV-JOCHJYFZSA-N 0 0 397.494 3.778 10 0 GHAERN CCc1onc(C)c1C(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000184704595 883379592 /nfs/dbraw/zinc/37/95/92/883379592.db2.gz UZIHHZQXOYOXAL-HNNXBMFYSA-N 0 0 379.254 3.522 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CCC2)c2ccc(F)cc2C1 ZINC000185502394 883546471 /nfs/dbraw/zinc/54/64/71/883546471.db2.gz NVTWFKXAWCGUCV-OAQYLSRUSA-N 0 0 398.453 3.996 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)c1cc(COc2ccccc2F)on1 ZINC000185972676 883610684 /nfs/dbraw/zinc/61/06/84/883610684.db2.gz XKOQYNALZROVIJ-UHFFFAOYSA-N 0 0 380.335 3.695 10 0 GHAERN COc1ccccc1[C@@H](N[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccco1 ZINC000186289637 883636013 /nfs/dbraw/zinc/63/60/13/883636013.db2.gz FGRCMKVUWDLBEN-DYESRHJHSA-N 0 0 383.469 3.886 10 0 GHAERN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCCN(c2ccccn2)CC1 ZINC000186505935 883659718 /nfs/dbraw/zinc/65/97/18/883659718.db2.gz CEYGCTDYWJBKGH-UHFFFAOYSA-N 0 0 395.434 3.745 10 0 GHAERN Cc1c([C@H](C)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)cnn1-c1ccccn1 ZINC000186652404 883683140 /nfs/dbraw/zinc/68/31/40/883683140.db2.gz AUXOFEIIYPREME-OYHNWAKOSA-N 0 0 390.466 3.889 10 0 GHAERN CN1Cc2cc(NC(=O)N3CCC(Oc4ccc(F)cc4)CC3)ccc2NC1=O ZINC000186671643 883684045 /nfs/dbraw/zinc/68/40/45/883684045.db2.gz CGBKVVXACUYBMQ-UHFFFAOYSA-N 0 0 398.438 3.878 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@@H](O)c3ccc4ccccc4c3)ccc2NC1=O ZINC000186693124 883687858 /nfs/dbraw/zinc/68/78/58/883687858.db2.gz NAMKAYZVYMGLEH-HXUWFJFHSA-N 0 0 390.443 3.672 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)n1 ZINC000186760974 883700355 /nfs/dbraw/zinc/70/03/55/883700355.db2.gz DXLCHYXJTKJNMS-UHFFFAOYSA-N 0 0 391.475 3.581 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000186842573 883722242 /nfs/dbraw/zinc/72/22/42/883722242.db2.gz GAVOWIYZXIQTAU-ZDUSSCGKSA-N 0 0 376.482 3.562 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000187201721 883766245 /nfs/dbraw/zinc/76/62/45/883766245.db2.gz URKQLKOBZOYFKI-KRWDZBQOSA-N 0 0 394.441 3.730 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC(Nc2nccs2)CC1 ZINC000187779290 883807115 /nfs/dbraw/zinc/80/71/15/883807115.db2.gz RQULHRCRHNCSHD-MRXNPFEDSA-N 0 0 390.484 3.782 10 0 GHAERN Cc1cc(N2CCN(C(=O)Nc3ccccc3COc3ccccc3)CC2)n[nH]1 ZINC000187796718 883807769 /nfs/dbraw/zinc/80/77/69/883807769.db2.gz JKADPPLMFITGLN-UHFFFAOYSA-N 0 0 391.475 3.651 10 0 GHAERN O=C(NCc1c(F)cc(Br)cc1F)N1CCC(c2cc[nH]n2)CC1 ZINC000187831600 883809239 /nfs/dbraw/zinc/80/92/39/883809239.db2.gz OAPNIIAIIMIMLB-UHFFFAOYSA-N 0 0 399.239 3.540 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000188423438 883849166 /nfs/dbraw/zinc/84/91/66/883849166.db2.gz ZZEJLMRMEXHMOK-TZIWHRDSSA-N 0 0 380.488 3.684 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000188605439 883866851 /nfs/dbraw/zinc/86/68/51/883866851.db2.gz OSNYYASUMUFMLM-IBGZPJMESA-N 0 0 379.460 3.763 10 0 GHAERN COc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c2cccnc12 ZINC000188760642 883880561 /nfs/dbraw/zinc/88/05/61/883880561.db2.gz DRDDUZFQODDZBV-UHFFFAOYSA-N 0 0 383.477 3.808 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cs1 ZINC000189239371 883916313 /nfs/dbraw/zinc/91/63/13/883916313.db2.gz LORGZKGQDUJTEU-HNNXBMFYSA-N 0 0 379.507 3.532 10 0 GHAERN CC(C)Oc1cc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)ccn1 ZINC000189654669 883983673 /nfs/dbraw/zinc/98/36/73/883983673.db2.gz XIZCJPTZOQHJDU-UHFFFAOYSA-N 0 0 381.476 3.647 10 0 GHAERN Cc1nn(C)cc1NC(=O)N[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000189694320 883985813 /nfs/dbraw/zinc/98/58/13/883985813.db2.gz QLNULFNXGQXGGO-NRFANRHFSA-N 0 0 376.460 3.965 10 0 GHAERN O=C(CSCC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189796796 883996621 /nfs/dbraw/zinc/99/66/21/883996621.db2.gz LFDZMBGHIVCAHW-UHFFFAOYSA-N 0 0 381.497 3.698 10 0 GHAERN COc1ccc(Cn2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)n2)cc1 ZINC000189889189 884006848 /nfs/dbraw/zinc/00/68/48/884006848.db2.gz IOWGKKJVFDNUHZ-MRXNPFEDSA-N 0 0 397.504 3.808 10 0 GHAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CC2(CCOCC2)c2ccccc21 ZINC000189817097 884013808 /nfs/dbraw/zinc/01/38/08/884013808.db2.gz GFYRFIBDBWWSAH-UHFFFAOYSA-N 0 0 390.483 3.599 10 0 GHAERN O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000189966176 884027151 /nfs/dbraw/zinc/02/71/51/884027151.db2.gz WWHUKCIMYSYULP-CABCVRRESA-N 0 0 390.434 3.609 10 0 GHAERN Cn1ccc2cccc(NC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c21 ZINC000190010278 884042221 /nfs/dbraw/zinc/04/22/21/884042221.db2.gz RLFHDVZTUTZNLO-UHFFFAOYSA-N 0 0 382.508 3.825 10 0 GHAERN CCCCc1ccc(C(=O)CCC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000190047277 884045194 /nfs/dbraw/zinc/04/51/94/884045194.db2.gz HBKJHZFBZOKXDG-MOPGFXCFSA-N 0 0 399.491 3.672 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000190134297 884047894 /nfs/dbraw/zinc/04/78/94/884047894.db2.gz QFDAOZBNBARPNY-UKRRQHHQSA-N 0 0 376.482 3.872 10 0 GHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000190234116 884060726 /nfs/dbraw/zinc/06/07/26/884060726.db2.gz GMLBXIFPAFVNKJ-LPHOPBHVSA-N 0 0 379.485 3.669 10 0 GHAERN O=C(NCCc1ccccc1OC(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000190254331 884061360 /nfs/dbraw/zinc/06/13/60/884061360.db2.gz VNULDODGCOZBMD-CQSZACIVSA-N 0 0 381.448 3.876 10 0 GHAERN O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCC(Nc2nccs2)CC1 ZINC000190368980 884072793 /nfs/dbraw/zinc/07/27/93/884072793.db2.gz FKVBHKXASFTVRF-UHFFFAOYSA-N 0 0 387.896 3.903 10 0 GHAERN O=C(Cc1cccc(OC(F)(F)F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190378278 884073428 /nfs/dbraw/zinc/07/34/28/884073428.db2.gz BUYFGTOKAAJPBB-UHFFFAOYSA-N 0 0 385.411 3.687 10 0 GHAERN CC(=O)c1ccc(OCCCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190386951 884074791 /nfs/dbraw/zinc/07/47/91/884074791.db2.gz QCKYNXUFQIBKSV-UHFFFAOYSA-N 0 0 387.505 3.608 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000190889826 884119057 /nfs/dbraw/zinc/11/90/57/884119057.db2.gz QFCAKMTUEGUUPW-HXUWFJFHSA-N 0 0 386.448 3.689 10 0 GHAERN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000190947047 884133334 /nfs/dbraw/zinc/13/33/34/884133334.db2.gz GAFYMPMWHJJBBC-ODGPQVTHSA-N 0 0 392.499 3.648 10 0 GHAERN O=C(CCCc1nc(C2CC2)no1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191210661 884164077 /nfs/dbraw/zinc/16/40/77/884164077.db2.gz XJVKCXZJBBCSMC-CQSZACIVSA-N 0 0 375.419 3.954 10 0 GHAERN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)N[C@H](c1ccco1)c1ccccc1 ZINC000105092686 884167483 /nfs/dbraw/zinc/16/74/83/884167483.db2.gz YUUHNRKMCGVFOK-GCJKJVERSA-N 0 0 389.455 3.753 10 0 GHAERN O=C(CC1CCC2(CC1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000191874269 884224594 /nfs/dbraw/zinc/22/45/94/884224594.db2.gz LSVWTKFAHWMCQR-UHFFFAOYSA-N 0 0 376.472 3.552 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000192421655 884261305 /nfs/dbraw/zinc/26/13/05/884261305.db2.gz IVXTUUHEWRMKCF-GFCCVEGCSA-N 0 0 390.369 3.555 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000102695941 884281625 /nfs/dbraw/zinc/28/16/25/884281625.db2.gz MXFBYTDNUZDSAG-KGLIPLIRSA-N 0 0 376.884 3.885 10 0 GHAERN O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCC(C(=O)N2CCCC2)CC1 ZINC000102799422 884460076 /nfs/dbraw/zinc/46/00/76/884460076.db2.gz NXAGBUYSZBKUGM-UHFFFAOYSA-N 0 0 387.377 3.711 10 0 GHAERN CC(C)C(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102915128 884632883 /nfs/dbraw/zinc/63/28/83/884632883.db2.gz MHVVXJJEJDLLQG-GOSISDBHSA-N 0 0 380.444 3.987 10 0 GHAERN CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC000104356956 885391960 /nfs/dbraw/zinc/39/19/60/885391960.db2.gz UUHKWBTVZKGMOB-IBGZPJMESA-N 0 0 382.529 3.946 10 0 GHAERN O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000017064623 885801354 /nfs/dbraw/zinc/80/13/54/885801354.db2.gz FGGFGBYRHQBASZ-UHFFFAOYSA-N 0 0 396.434 3.936 10 0 GHAERN Cc1ccccc1COc1cccc(CC(=O)N2CCC(n3cncn3)CC2)c1 ZINC000106020779 886022714 /nfs/dbraw/zinc/02/27/14/886022714.db2.gz PSLVNVOHSOXXLG-UHFFFAOYSA-N 0 0 390.487 3.572 10 0 GHAERN COc1cc(-c2nc(CN3CCC(Cc4nccn4C)CC3)cs2)ccc1O ZINC000112345572 886259681 /nfs/dbraw/zinc/25/96/81/886259681.db2.gz IZIBFSNEZPMMLM-UHFFFAOYSA-N 0 0 398.532 3.713 10 0 GHAERN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217349 886286472 /nfs/dbraw/zinc/28/64/72/886286472.db2.gz OUXVFOPRYPQHAH-SFHVURJKSA-N 0 0 377.492 3.755 10 0 GHAERN CC(C)c1noc(CCC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000113219689 886287217 /nfs/dbraw/zinc/28/72/17/886287217.db2.gz SMUCOHIUEYGJMV-KRWDZBQOSA-N 0 0 393.491 3.922 10 0 GHAERN O=C(Nc1cccc(C2SCCS2)c1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032411863 886322791 /nfs/dbraw/zinc/32/27/91/886322791.db2.gz OZJRKLVSYONLNS-OAHLLOKOSA-N 0 0 386.546 3.810 10 0 GHAERN COC(=O)N(C)Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000117462803 886383767 /nfs/dbraw/zinc/38/37/67/886383767.db2.gz LCCACFRKRNSJPY-HNNXBMFYSA-N 0 0 388.493 3.753 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 ZINC000117629191 886388399 /nfs/dbraw/zinc/38/83/99/886388399.db2.gz DZYAUSZCZSBKHL-OPAMFIHVSA-N 0 0 378.472 3.745 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N1CCn2c(nnc2C(F)(F)F)C1)c1cccs1 ZINC000119494006 886466291 /nfs/dbraw/zinc/46/62/91/886466291.db2.gz YEYHYMTZPABRQN-LBPRGKRZSA-N 0 0 387.431 3.671 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)c1nc(-c2ccccc2)no1 ZINC000119830525 886481347 /nfs/dbraw/zinc/48/13/47/886481347.db2.gz VCSJLROIYDZLJW-GOEBONIOSA-N 0 0 397.504 3.886 10 0 GHAERN O=[S@@](Cc1nc(-c2ccsc2)no1)Cc1nnc(-c2ccccc2)s1 ZINC000121073420 886538576 /nfs/dbraw/zinc/53/85/76/886538576.db2.gz XBOLHYHUSBMHRM-RUZDIDTESA-N 0 0 388.499 3.766 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCO[C@H](c3ccccc3Cl)C1)CCC2 ZINC000332692694 886539393 /nfs/dbraw/zinc/53/93/93/886539393.db2.gz UUQWJBRFXVQDJC-QAPCUYQASA-N 0 0 388.899 3.505 10 0 GHAERN CC(C)[C@@H]1C[C@@H](NC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)CCO1 ZINC000332711194 886539857 /nfs/dbraw/zinc/53/98/57/886539857.db2.gz LUYUJTDPBNTBTK-UAGQMJEPSA-N 0 0 389.521 3.583 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CC[C@@H](c3ccccc3)C2)c2ccccc2F)no1 ZINC000124643603 886776383 /nfs/dbraw/zinc/77/63/83/886776383.db2.gz QLUVIIBFQMDERR-VQIMIIECSA-N 0 0 380.423 3.806 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124659610 886780326 /nfs/dbraw/zinc/78/03/26/886780326.db2.gz IKBXYCXFDILGRX-LJQANCHMSA-N 0 0 398.438 3.847 10 0 GHAERN O=C(C=Cc1ccc(OCc2cccnc2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000125453314 886867554 /nfs/dbraw/zinc/86/75/54/886867554.db2.gz LEFCFVZGNRTWJZ-VMPITWQZSA-N 0 0 388.471 3.803 10 0 GHAERN O=C(Nc1cccc(OC2CCCC2)c1)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000125809507 886903600 /nfs/dbraw/zinc/90/36/00/886903600.db2.gz ONKODRFOIMGAOF-UHFFFAOYSA-N 0 0 392.415 3.635 10 0 GHAERN O=C(Nc1cncc(Br)c1)NC1CCN(c2cccs2)CC1 ZINC000126913079 887015390 /nfs/dbraw/zinc/01/53/90/887015390.db2.gz VMSLYGILPSGABF-UHFFFAOYSA-N 0 0 381.299 3.696 10 0 GHAERN COc1ccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1-c1ccccn1 ZINC000127120748 887035174 /nfs/dbraw/zinc/03/51/74/887035174.db2.gz UUTAVUGGTLCKGF-NRFANRHFSA-N 0 0 378.428 3.872 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(-c2ccoc2)c1 ZINC000127936299 887125182 /nfs/dbraw/zinc/12/51/82/887125182.db2.gz YSGWJZFLIVHREZ-VGSWGCGISA-N 0 0 375.472 3.982 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000131103857 887510402 /nfs/dbraw/zinc/51/04/02/887510402.db2.gz BTIGNKVGWPHSBI-HIFRSBDPSA-N 0 0 381.423 3.798 10 0 GHAERN CC[C@@H](C)c1ccc([C@H](NC(=O)N2CCNC(=O)CC2)c2cccs2)cc1 ZINC000105092998 887558351 /nfs/dbraw/zinc/55/83/51/887558351.db2.gz NFNCPRNIJXWRNQ-QRWLVFNGSA-N 0 0 385.533 3.883 10 0 GHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131785871 887575217 /nfs/dbraw/zinc/57/52/17/887575217.db2.gz CGOVXZOYRFSKQS-KSSFIOAISA-N 0 0 377.492 3.926 10 0 GHAERN COc1ccc([C@@H](NC(=O)/C=C/SCc2ccco2)c2nccn2C)cc1 ZINC000131918711 887590492 /nfs/dbraw/zinc/59/04/92/887590492.db2.gz QJSNKFZWUZESDB-XWGMLZDCSA-N 0 0 383.473 3.674 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CCO2)o1 ZINC000133394516 887757457 /nfs/dbraw/zinc/75/74/57/887757457.db2.gz YVLMQYLPFSRMCD-GOSISDBHSA-N 0 0 392.496 3.525 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(CN3CCCC3=O)c2)C12CCCC2 ZINC000134049156 887830415 /nfs/dbraw/zinc/83/04/15/887830415.db2.gz UYLWYCGWRBTAFI-PMACEKPBSA-N 0 0 384.520 3.619 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccc(OC(F)F)c1 ZINC000134644112 887894573 /nfs/dbraw/zinc/89/45/73/887894573.db2.gz ORULPBUOLRSHKV-GUYCJALGSA-N 0 0 377.391 3.607 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000135134468 887945780 /nfs/dbraw/zinc/94/57/80/887945780.db2.gz KICUHMINNJIFNE-YJBOKZPZSA-N 0 0 387.501 3.507 10 0 GHAERN COc1ccc([C@H](NC(=O)/C=C/c2cccc3cccnc23)c2nccn2C)cc1 ZINC000055386685 888151665 /nfs/dbraw/zinc/15/16/65/888151665.db2.gz MSKWOMMAKKFXMY-YYVWFHOOSA-N 0 0 398.466 3.896 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCCC3)ccc1OCC(C)C ZINC000135372986 888233477 /nfs/dbraw/zinc/23/34/77/888233477.db2.gz UHSIWKPALBFCDR-SOGBHIHOSA-N 0 0 398.507 3.548 10 0 GHAERN C[C@H](NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(F)c(F)c1 ZINC000054062937 888261939 /nfs/dbraw/zinc/26/19/39/888261939.db2.gz VZBYHOHPIQKUPP-HNNXBMFYSA-N 0 0 393.478 3.850 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137121138 888334345 /nfs/dbraw/zinc/33/43/45/888334345.db2.gz MNIJYXOAVBEMMV-OAQYLSRUSA-N 0 0 390.443 3.741 10 0 GHAERN COc1c(F)cc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1F ZINC000056716190 888374330 /nfs/dbraw/zinc/37/43/30/888374330.db2.gz QGZHOUKKIOSUJX-UHFFFAOYSA-N 0 0 395.450 3.620 10 0 GHAERN O=C(NCc1ccc2ncccc2c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000193937941 888543446 /nfs/dbraw/zinc/54/34/46/888543446.db2.gz KAIGYOFGHSWXQW-UHFFFAOYSA-N 0 0 391.446 3.543 10 0 GHAERN CCn1ncc2ccc(NC(=O)N3CCC[C@@H](c4nnc5ccccn54)C3)cc21 ZINC000194763707 888617728 /nfs/dbraw/zinc/61/77/28/888617728.db2.gz DLQQHSJXECXGML-MRXNPFEDSA-N 0 0 389.463 3.510 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000245562221 888954001 /nfs/dbraw/zinc/95/40/01/888954001.db2.gz OQIYLCRDYIMGKJ-IFXJQAMLSA-N 0 0 383.496 3.621 10 0 GHAERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000245639405 889131050 /nfs/dbraw/zinc/13/10/50/889131050.db2.gz KFWNESXUNGIADD-SYYKKAFVSA-N 0 0 391.515 3.623 10 0 GHAERN CCOC[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000245650910 889165181 /nfs/dbraw/zinc/16/51/81/889165181.db2.gz CHLJEBVAQWRZGR-ALKREAHSSA-N 0 0 397.922 3.540 10 0 GHAERN CC(C)C[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)c1ccccc1 ZINC000245686663 889226756 /nfs/dbraw/zinc/22/67/56/889226756.db2.gz NJJXAJIMEPBLNM-SLFFLAALSA-N 0 0 384.524 3.663 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)C(C)C ZINC000245701611 889292385 /nfs/dbraw/zinc/29/23/85/889292385.db2.gz VLXFGPJXJSCHEL-DFQSSKMNSA-N 0 0 384.524 3.581 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245728839 889521276 /nfs/dbraw/zinc/52/12/76/889521276.db2.gz ALWCRTSXXYSEMN-JSNMRZPZSA-N 0 0 388.414 3.626 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C1CCN(c2nc3ccccc3o2)CC1 ZINC000246070261 890308543 /nfs/dbraw/zinc/30/85/43/890308543.db2.gz BQDVJUCBSGFCDG-PWIZWCRZSA-N 0 0 395.503 3.508 10 0 GHAERN CSCCc1ccc(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000069325282 891197999 /nfs/dbraw/zinc/19/79/99/891197999.db2.gz DYQBERSMCGPJLS-SFHVURJKSA-N 0 0 381.505 3.930 10 0 GHAERN C[C@H](NC(=O)N1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000246670886 891298066 /nfs/dbraw/zinc/29/80/66/891298066.db2.gz VBBRWSZFKPJIKH-ZLIFDBKOSA-N 0 0 379.382 3.679 10 0 GHAERN Cc1c(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)cccc1N1CCNC1=O ZINC000246711081 891300290 /nfs/dbraw/zinc/30/02/90/891300290.db2.gz KRRHMVQMCKEXPE-CEQIKUNHSA-N 0 0 393.487 3.515 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246751600 891303914 /nfs/dbraw/zinc/30/39/14/891303914.db2.gz OOGWPPHQOSYEPY-MORSLUCNSA-N 0 0 387.505 3.585 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246777694 891305337 /nfs/dbraw/zinc/30/53/37/891305337.db2.gz ZCOJAIVUWPEXHK-BHDDXSALSA-N 0 0 391.515 3.648 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1C(=O)NC(C)C ZINC000246774128 891305943 /nfs/dbraw/zinc/30/59/43/891305943.db2.gz PCECDZQDZOLTEP-IPMKNSEASA-N 0 0 385.508 3.602 10 0 GHAERN c1c(CN2CCS[C@@H]3COCC[C@H]32)c(-c2ccncc2)nn1-c1ccccc1 ZINC000246817702 891310650 /nfs/dbraw/zinc/31/06/50/891310650.db2.gz RFYAUTCOFHZSNE-NHCUHLMSSA-N 0 0 392.528 3.641 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000246853608 891316029 /nfs/dbraw/zinc/31/60/29/891316029.db2.gz DNBPGSRCMVXHBQ-XJKSGUPXSA-N 0 0 376.863 3.906 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)cc1 ZINC000246888057 891320692 /nfs/dbraw/zinc/32/06/92/891320692.db2.gz BKBHLPCZKONTHF-NBQZKYEYSA-N 0 0 396.512 3.903 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CCCc1c[nH]c2ccccc12 ZINC000246906591 891323286 /nfs/dbraw/zinc/32/32/86/891323286.db2.gz HGXWIRYCSAIENX-XMSQKQJNSA-N 0 0 390.531 3.912 10 0 GHAERN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000247562878 891386054 /nfs/dbraw/zinc/38/60/54/891386054.db2.gz RUMHSHWRFIFEGP-UHOSZYNNSA-N 0 0 385.439 3.770 10 0 GHAERN C[C@@H]1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)[C@@H](c2ccco2)C1 ZINC000248071567 891409352 /nfs/dbraw/zinc/40/93/52/891409352.db2.gz QNZFFLBBJRPHJA-MISYRCLQSA-N 0 0 395.503 3.811 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@]23CCc2ccccc23)c2ccc(F)cc2C1 ZINC000248637714 891449926 /nfs/dbraw/zinc/44/99/26/891449926.db2.gz LBDVVLAMARADHZ-GPXNEJASSA-N 0 0 392.474 3.639 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(-c4csc(C)n4)c[nH]3)C2)c1 ZINC000102382939 898007544 /nfs/dbraw/zinc/00/75/44/898007544.db2.gz IMYPOLQNFBUOGO-HNNXBMFYSA-N 0 0 396.516 3.712 10 0 GHAERN CC(C)c1ccccc1OC[C@@H](O)CSc1nnc(-c2ccncc2)n1C ZINC000102651180 898022135 /nfs/dbraw/zinc/02/21/35/898022135.db2.gz ZQWQCQXLVUATSB-MRXNPFEDSA-N 0 0 384.505 3.533 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000102898062 898045835 /nfs/dbraw/zinc/04/58/35/898045835.db2.gz QFNKGZQSEKRIPP-LJQANCHMSA-N 0 0 392.455 3.865 10 0 GHAERN CC[C@H](NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)c1nc(C)cs1 ZINC000104795629 898165354 /nfs/dbraw/zinc/16/53/54/898165354.db2.gz XJJZOHVGQYWISS-YJBOKZPZSA-N 0 0 388.537 3.737 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000104988006 898175590 /nfs/dbraw/zinc/17/55/90/898175590.db2.gz MOQBDGSAARYNQV-UHFFFAOYSA-N 0 0 375.856 3.993 10 0 GHAERN O=C(N[C@H]1CCSc2c(F)cccc21)N1CCO[C@H](c2nccs2)C1 ZINC000111823610 898833540 /nfs/dbraw/zinc/83/35/40/898833540.db2.gz DTPCQFJNCZFEMV-KBPBESRZSA-N 0 0 379.482 3.602 10 0 GHAERN Cn1c2ccccc2nc1[C@@H]1CCCN1CC(=O)Nc1nc2c(s1)CCCC2 ZINC000333068441 899936407 /nfs/dbraw/zinc/93/64/07/899936407.db2.gz OJUDHCGWUBRAJM-KRWDZBQOSA-N 0 0 395.532 3.684 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000333127266 899983973 /nfs/dbraw/zinc/98/39/73/899983973.db2.gz HKGXRBSAVQJNEL-IAISJRAMSA-N 0 0 378.469 3.665 10 0 GHAERN C[S@](=O)c1ccc(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cc1 ZINC000333317078 902001712 /nfs/dbraw/zinc/00/17/12/902001712.db2.gz WGXSZQDEHDZJKQ-WINIVTDRSA-N 0 0 383.513 3.919 10 0 GHAERN CC1(C)CCc2sc(NC(=O)N3C[C@@H](c4ccsc4)[C@H](CO)C3)nc21 ZINC000333519434 902157265 /nfs/dbraw/zinc/15/72/65/902157265.db2.gz KJJOJHXXDXILLH-STQMWFEESA-N 0 0 377.535 3.668 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333600612 902216310 /nfs/dbraw/zinc/21/63/10/902216310.db2.gz BYAUJOGOPMUTQY-ZNMIVQPWSA-N 0 0 379.298 3.563 10 0 GHAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000333810773 902342043 /nfs/dbraw/zinc/34/20/43/902342043.db2.gz GNALPXUAMIENQE-KSSFIOAISA-N 0 0 393.478 3.679 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333886710 902398884 /nfs/dbraw/zinc/39/88/84/902398884.db2.gz FZAVIKDMAADDMZ-OFQRWUPVSA-N 0 0 395.956 3.518 10 0 GHAERN O=C(N[C@H]1CCc2c1cccc2F)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334047331 902524993 /nfs/dbraw/zinc/52/49/93/902524993.db2.gz QNHGPSZXZOHTPB-PGRDOPGGSA-N 0 0 380.419 3.633 10 0 GHAERN O[C@@H]1CC[C@H]2CN(c3nc(-c4cccnc4)nc4sc5c(c43)CCC5)C[C@H]2C1 ZINC000334114795 902562595 /nfs/dbraw/zinc/56/25/95/902562595.db2.gz GHBSGXYNGZTDDN-ARFHVFGLSA-N 0 0 392.528 3.839 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000282774511 904309303 /nfs/dbraw/zinc/30/93/03/904309303.db2.gz MDGITNFEZDRHQR-FPCVCCKLSA-N 0 0 382.430 3.871 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)cs1 ZINC000186568552 907944529 /nfs/dbraw/zinc/94/45/29/907944529.db2.gz XVXBDHCJSPARLA-WFASDCNBSA-N 0 0 382.530 3.601 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CSCC(=O)Nc2ccc(C)cc2)cs1 ZINC000187014574 908018987 /nfs/dbraw/zinc/01/89/87/908018987.db2.gz XFXHYKQRABFDJB-KRWDZBQOSA-N 0 0 389.546 3.795 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2ccc(CC(C)C)cc2)C1 ZINC000189082271 908280321 /nfs/dbraw/zinc/28/03/21/908280321.db2.gz JDYCMLHVGUBBIG-VQTJNVASSA-N 0 0 385.508 3.888 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000189079955 908280679 /nfs/dbraw/zinc/28/06/79/908280679.db2.gz ZPQPRJWLJHMTCT-LSDHHAIUSA-N 0 0 387.436 3.848 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3csc(C)n3)cc2)C1 ZINC000189386631 908313801 /nfs/dbraw/zinc/31/38/01/908313801.db2.gz ISNZJNKDZUSYBA-DOTOQJQBSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)ccc2SC)C1 ZINC000189416280 908318870 /nfs/dbraw/zinc/31/88/70/908318870.db2.gz VANKDOABNDDQFU-WCQYABFASA-N 0 0 382.873 3.747 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N2CCCCCC2)C1 ZINC000190114710 908429795 /nfs/dbraw/zinc/42/97/95/908429795.db2.gz AXJMOCWEOJKOLQ-VQIMIIECSA-N 0 0 399.495 3.752 10 0 GHAERN CN(CC1CC(O)C1)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000190130563 908434111 /nfs/dbraw/zinc/43/41/11/908434111.db2.gz CLQIHBVTINTURO-UHFFFAOYSA-N 0 0 381.192 3.703 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2csc(C)c2)C1 ZINC000190141110 908437098 /nfs/dbraw/zinc/43/70/98/908437098.db2.gz OXCIQECUNDIKSM-GDBMZVCRSA-N 0 0 399.476 3.804 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H](n3cncn3)C2)cc(C)c1Br ZINC000192418323 908784326 /nfs/dbraw/zinc/78/43/26/908784326.db2.gz WJTZMSQNKNHEKQ-AWEZNQCLSA-N 0 0 378.274 3.526 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)O[C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000103809610 911080603 /nfs/dbraw/zinc/08/06/03/911080603.db2.gz XTZFRJNTYTZIMA-DYESRHJHSA-N 0 0 384.451 3.892 10 0 GHAERN Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)CCc1ccc(F)cc1 ZINC000103816019 911181725 /nfs/dbraw/zinc/18/17/25/911181725.db2.gz ULIRRAMRDXMEPZ-LJQANCHMSA-N 0 0 386.467 3.725 10 0 GHAERN COc1ccc2c(CC(=O)OCCCc3cnc4c(C)c(C)nn4c3)coc2c1 ZINC000103818127 911260059 /nfs/dbraw/zinc/26/00/59/911260059.db2.gz DPIHQLJFYHDHAW-UHFFFAOYSA-N 0 0 393.443 3.819 10 0 GHAERN Cc1cc(C(=O)OCCCc2cnc3c(C)c(C)nn3c2)nn1-c1ccccc1 ZINC000103818639 911307721 /nfs/dbraw/zinc/30/77/21/911307721.db2.gz VVTBAHFLJXBWRO-UHFFFAOYSA-N 0 0 389.459 3.630 10 0 GHAERN O=C(c1ccccc1I)N1CCC[C@H]1c1nccs1 ZINC000372129443 925178517 /nfs/dbraw/zinc/17/85/17/925178517.db2.gz XBCBFJTTXWMTQJ-LBPRGKRZSA-N 0 0 384.242 3.725 10 0 GHAERN COc1ccc(-c2c3c(c(O)c4cc5c(cc42)OCO5)COC3=O)cc1OC ZINC000001574725 212250112 /nfs/dbraw/zinc/25/01/12/212250112.db2.gz ZYUVOQCJYNAWNV-UHFFFAOYSA-N 0 0 380.352 3.629 10 0 biogenic,in-vitro GHAERN COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)C)c3N2)cc1 ZINC000000866456 212191718 /nfs/dbraw/zinc/19/17/18/212191718.db2.gz BECNONUWUCDWPU-LSDHHAIUSA-N 0 0 382.386 3.690 10 0 GHAERN Cn1c2ccc(F)cc2c2c1c(=O)n(-c1ccccc1)cc2C(=O)N1CCCC1 ZINC000000602639 212163546 /nfs/dbraw/zinc/16/35/46/212163546.db2.gz QQWHWWDIFGNCLV-UHFFFAOYSA-N 0 0 389.430 3.858 10 0 GHAERN CC(=O)N1CCC(Nc2ccccc2[S@@](=O)c2ccc(Cl)cc2)CC1 ZINC000034806779 212159871 /nfs/dbraw/zinc/15/98/71/212159871.db2.gz FPXJIEWAJCVALH-RUZDIDTESA-N 0 0 376.909 3.930 10 0 GHAERN CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)CCCC(C)(C)[C@H]12 ZINC000255970997 212138415 /nfs/dbraw/zinc/13/84/15/212138415.db2.gz FBWWXAGANVJTLU-UXGNKHCNSA-N 0 0 378.509 3.785 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccc(Br)cc1 ZINC000056825146 212132023 /nfs/dbraw/zinc/13/20/23/212132023.db2.gz AEPRYJSFARPENM-WFASDCNBSA-N 0 0 391.265 3.524 10 0 GHAERN Cc1ccc(S(=O)(=O)Cn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000334161876 212107296 /nfs/dbraw/zinc/10/72/96/212107296.db2.gz GSEURGYKSKXDEQ-UHFFFAOYSA-N 0 0 390.464 3.803 10 0 GHAERN CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCc2ccccc2)[C@@H](C(F)(F)F)C1 ZINC000066351446 212078460 /nfs/dbraw/zinc/07/84/60/212078460.db2.gz JVSKBBNMMVFKKB-KBPBESRZSA-N 0 0 388.386 3.711 10 0 GHAERN Cc1nn(C)c2ncc(C(=O)NC(=S)Nc3ccccc3Cl)c(Cl)c12 ZINC000002380506 220527468 /nfs/dbraw/zinc/52/74/68/220527468.db2.gz SJBZPSDTSLFIAY-UHFFFAOYSA-N 0 0 394.287 3.710 10 0 GHAERN CC[C@H](C)NC(=O)CN1c2ccc(Cl)cc2C(c2ccccc2)=N[C@H](C)C1=O ZINC000004972164 220802478 /nfs/dbraw/zinc/80/24/78/220802478.db2.gz FAJLEFKRPIMSJP-LSDHHAIUSA-N 0 0 397.906 3.827 10 0 GHAERN COCCn1c(CCNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc21 ZINC000008787210 221060347 /nfs/dbraw/zinc/06/03/47/221060347.db2.gz JXICIWCXESQEPN-UHFFFAOYSA-N 0 0 381.520 3.558 10 0 GHAERN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc3ncnc(N)c32)cc1 ZINC000009694484 221089653 /nfs/dbraw/zinc/08/96/53/221089653.db2.gz CMNSGBFCPTYGDX-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN O=C(Cc1ccc(Cl)cc1)NC[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000012181802 221162547 /nfs/dbraw/zinc/16/25/47/221162547.db2.gz PJCALFHYUINQBE-SFHVURJKSA-N 0 0 397.837 3.599 10 0 GHAERN O=C(c1n[nH]c2c1CCC2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000012441195 221194645 /nfs/dbraw/zinc/19/46/45/221194645.db2.gz ZUOIJSXAQUPCMI-QFIPXVFZSA-N 0 0 383.455 3.563 10 0 GHAERN Cc1c2cc(Cl)cc(CNC(=O)[C@@H]3CCC(=O)N3)c2[nH]c1-c1ccccc1 ZINC000012612333 221214568 /nfs/dbraw/zinc/21/45/68/221214568.db2.gz LMHZFMHTOGLYTD-KRWDZBQOSA-N 0 0 381.863 3.692 10 0 GHAERN COc1ccc(C(=O)N2CC[C@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)cc1 ZINC000015672955 221338713 /nfs/dbraw/zinc/33/87/13/221338713.db2.gz OVHAXYSAEXNUMB-OALUTQOASA-N 0 0 378.472 3.601 10 0 biogenic GHAERN Cc1nc(N2CCCCC2)ncc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000015864777 221349684 /nfs/dbraw/zinc/34/96/84/221349684.db2.gz RPYIDDAVCIHXLW-UHFFFAOYSA-N 0 0 380.370 3.926 10 0 GHAERN Cc1noc2nc(CCC(=O)N[C@H](C)c3ccccc3)nc(N3CCCCC3)c12 ZINC000065056316 136158946 /nfs/dbraw/zinc/15/89/46/136158946.db2.gz VRPVVAYFKIVZBQ-OAHLLOKOSA-N 0 0 393.491 3.727 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2nc3ccccc3[nH]c2=O)C1 ZINC000085628263 136175256 /nfs/dbraw/zinc/17/52/56/136175256.db2.gz JJVQZFQLOWFFLR-AWEZNQCLSA-N 0 0 396.878 3.740 10 0 GHAERN O=C(c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1)N1CCCc2ccccc21 ZINC000100812413 136189364 /nfs/dbraw/zinc/18/93/64/136189364.db2.gz IAMCJURGBBJNLV-BGYRXZFFSA-N 0 0 386.451 3.735 10 0 GHAERN CC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000034708717 221800574 /nfs/dbraw/zinc/80/05/74/221800574.db2.gz BVRKMJKFGFKCKD-YYWHXJBOSA-N 0 0 394.515 3.856 10 0 GHAERN CC(C)NC(=O)c1cc(COc2ccc(NC(=O)c3cccs3)cc2)on1 ZINC000065027218 222094596 /nfs/dbraw/zinc/09/45/96/222094596.db2.gz NMVCDILVJYXBPL-UHFFFAOYSA-N 0 0 385.445 3.706 10 0 GHAERN COc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660456 222076054 /nfs/dbraw/zinc/07/60/54/222076054.db2.gz QXHTZDCTNSTZNI-UHFFFAOYSA-N 0 0 386.498 3.566 10 0 GHAERN Cn1c(C[C@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)nc2cccnc21 ZINC000065292518 222120037 /nfs/dbraw/zinc/12/00/37/222120037.db2.gz UFTATKYPGYUDDD-CYBMUJFWSA-N 0 0 388.393 3.692 10 0 GHAERN CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2nc1Cl ZINC000095075461 222329400 /nfs/dbraw/zinc/32/94/00/222329400.db2.gz WNLOWVQNAXSXCS-CYBMUJFWSA-N 0 0 376.888 3.976 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H](C[S@@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084282 222330349 /nfs/dbraw/zinc/33/03/49/222330349.db2.gz QEITVLLVUUXOTD-RYZVSIALSA-N 0 0 395.912 3.648 10 0 GHAERN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087804 222330532 /nfs/dbraw/zinc/33/05/32/222330532.db2.gz PJIMHRPJYNZHJG-AWEZNQCLSA-N 0 0 383.496 3.555 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@@](=O)Cc1cnc(Cl)s1 ZINC000095086868 222330667 /nfs/dbraw/zinc/33/06/67/222330667.db2.gz TUYDEJQYKNTPRS-BGJPBQGDSA-N 0 0 378.947 3.835 10 0 GHAERN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)[C@H]1C[C@@H]1c1cccnc1 ZINC000078714581 222297449 /nfs/dbraw/zinc/29/74/49/222297449.db2.gz NDKQSRBTWJVQTE-CABCVRRESA-N 0 0 379.441 3.719 10 0 GHAERN CN1CCn2c(-c3ccc(F)cc3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096263353 222406630 /nfs/dbraw/zinc/40/66/30/222406630.db2.gz XTRVNTAQFBUOJH-UHFFFAOYSA-N 0 0 397.523 3.582 10 0 GHAERN CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccc(C)cc4)c3[nH]2)C1 ZINC000064611571 535525552 /nfs/dbraw/zinc/52/55/52/535525552.db2.gz DWEFNUQXNYNCRO-OAHLLOKOSA-N 0 0 397.500 3.740 10 0 GHAERN Cn1nc(NC(=O)Cn2nc(-c3ccncc3)c3ccccc32)c2ccccc21 ZINC000048121659 570218621 /nfs/dbraw/zinc/21/86/21/570218621.db2.gz FWQPNBFSJLKVOU-UHFFFAOYSA-N 0 0 382.427 3.624 10 0 GHAERN CCc1cccc(NC(=O)Cn2nc(CC)n3c(cc4cc(C)ccc43)c2=O)c1 ZINC000006803407 570285228 /nfs/dbraw/zinc/28/52/28/570285228.db2.gz QDWJSKUCXLMXAP-UHFFFAOYSA-N 0 0 388.471 3.721 10 0 GHAERN C[C@H]1CC[C@@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000103618515 570295825 /nfs/dbraw/zinc/29/58/25/570295825.db2.gz BFWXVVPJWJZVTH-RYQLBKOJSA-N 0 0 377.440 3.760 10 0 GHAERN CC(=O)N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2cc(C)ccc2C)CC1 ZINC000035836634 570461994 /nfs/dbraw/zinc/46/19/94/570461994.db2.gz OSMZPSPMPGEKID-UHFFFAOYSA-N 0 0 393.487 3.512 10 0 GHAERN CC(C)CNC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000036048920 570521450 /nfs/dbraw/zinc/52/14/50/570521450.db2.gz SZYHHKBWRVPHOG-UXHICEINSA-N 0 0 386.442 3.593 10 0 GHAERN CCOC(=O)N1CCN(c2nc(-c3ccccc3F)nc3ccccc32)CC1 ZINC000006947839 570718111 /nfs/dbraw/zinc/71/81/11/570718111.db2.gz OVBIOEZAEONODP-UHFFFAOYSA-N 0 0 380.423 3.714 10 0 GHAERN CC(=O)N1CCC(C(=O)NCCSc2ccc(C)cc2)(c2ccccc2)CC1 ZINC000104907111 837501374 /nfs/dbraw/zinc/50/13/74/837501374.db2.gz TZPJIAVCQQEWNR-UHFFFAOYSA-N 0 0 396.556 3.784 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000105043741 837510957 /nfs/dbraw/zinc/51/09/57/837510957.db2.gz LNISDJWIEAGIKN-UHFFFAOYSA-N 0 0 395.463 3.548 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000176592709 837689467 /nfs/dbraw/zinc/68/94/67/837689467.db2.gz MSLWFEYMZYCDAF-CQSZACIVSA-N 0 0 381.501 3.602 10 0 GHAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000103313732 837733108 /nfs/dbraw/zinc/73/31/08/837733108.db2.gz YCQDMQWXWQHKAL-CSODTCANSA-N 0 0 395.613 3.635 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000156966840 834668502 /nfs/dbraw/zinc/66/85/02/834668502.db2.gz MIIKPQUYHSOOGS-UHFFFAOYSA-N 0 0 396.413 3.848 10 0 GHAERN CC(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)c1 ZINC000157645285 835013850 /nfs/dbraw/zinc/01/38/50/835013850.db2.gz OYTHMLOETGDXES-GTNSWQLSSA-N 0 0 391.265 3.582 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@H]3CCC(C)(C)C[C@@H]3C)CC2)no1 ZINC000175849949 835065445 /nfs/dbraw/zinc/06/54/45/835065445.db2.gz NUTSZJWFPSAHOV-BBRMVZONSA-N 0 0 376.501 3.558 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000157827533 835113396 /nfs/dbraw/zinc/11/33/96/835113396.db2.gz NNKAHDZGCHAKNU-UHFFFAOYSA-N 0 0 393.409 3.616 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000246912301 835138043 /nfs/dbraw/zinc/13/80/43/835138043.db2.gz URWKCXTVSCKTJX-RNJOBUHISA-N 0 0 398.297 3.601 10 0 GHAERN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]n1 ZINC000158215718 835276872 /nfs/dbraw/zinc/27/68/72/835276872.db2.gz DXKZLVFPTQSDBI-MAUKXSAKSA-N 0 0 392.507 3.628 10 0 GHAERN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)C1=Cc2cc(Cl)ccc2OC1 ZINC000187804834 835696857 /nfs/dbraw/zinc/69/68/57/835696857.db2.gz KOXMDVLLMGLDTJ-CXAGYDPISA-N 0 0 389.801 3.716 10 0 GHAERN CC(C)(c1nc([C@@H]2CN3CCC[C@H]3CO2)no1)c1ccc(Br)cc1 ZINC000329704503 835737995 /nfs/dbraw/zinc/73/79/95/835737995.db2.gz IVHALLQUFRUOJR-GJZGRUSLSA-N 0 0 392.297 3.694 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2OC(C)C)C[C@H]1C ZINC000187956271 835808793 /nfs/dbraw/zinc/80/87/93/835808793.db2.gz YEEBLZVFSQKGRR-OCCSQVGLSA-N 0 0 398.297 3.508 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000332751094 836537076 /nfs/dbraw/zinc/53/70/76/836537076.db2.gz AWGXXNQPTVSARM-AZUAARDMSA-N 0 0 383.513 3.778 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)c3cnc(-c4cnn(C)c4)s3)C2)n1 ZINC000113203159 836607935 /nfs/dbraw/zinc/60/79/35/836607935.db2.gz VPEAKOGTCNJLHH-LBPRGKRZSA-N 0 0 387.534 3.582 10 0 GHAERN Cc1noc([C@H]2CCN(C(=O)N[C@@H]3CC4(CCCC4)Oc4ccccc43)C2)n1 ZINC000332792979 836632244 /nfs/dbraw/zinc/63/22/44/836632244.db2.gz NHLDFBJVDWIXDS-DOTOQJQBSA-N 0 0 382.464 3.714 10 0 GHAERN O=C(Nc1ccc2c3c(cccc31)CC2)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000408416734 844194546 /nfs/dbraw/zinc/19/45/46/844194546.db2.gz VFUXAFUFUCUVFU-LJQANCHMSA-N 0 0 395.528 3.510 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@H]1CCc3c1cccc3F)CC2 ZINC000332911786 836972143 /nfs/dbraw/zinc/97/21/43/836972143.db2.gz KBCQXKAWEPILSR-ZBEGNZNMSA-N 0 0 393.384 3.852 10 0 GHAERN C[C@H]1CCCN(C(=O)Nc2cc(F)c(Br)cc2Cl)[C@H]1CO ZINC000408419355 844225468 /nfs/dbraw/zinc/22/54/68/844225468.db2.gz JPADUIBDOWFIAM-SDBXPKJASA-N 0 0 379.657 3.866 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000247771846 844227162 /nfs/dbraw/zinc/22/71/62/844227162.db2.gz PIOXZRQZDOWNLD-OPAMFIHVSA-N 0 0 394.563 3.930 10 0 GHAERN O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000102985956 837252799 /nfs/dbraw/zinc/25/27/99/837252799.db2.gz JIJFOMQRGGWWLA-ZIAGYGMSSA-N 0 0 397.422 3.809 10 0 GHAERN O=C([C@@H]1CCCN1c1ncnc2sccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067046319 838044554 /nfs/dbraw/zinc/04/45/54/838044554.db2.gz BHYUWQFKPXOFPK-ZFWWWQNUSA-N 0 0 399.545 3.523 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000152962194 838351350 /nfs/dbraw/zinc/35/13/50/838351350.db2.gz ZVWOXOKRXZULEZ-MRXNPFEDSA-N 0 0 391.313 3.755 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2Br)[nH]1 ZINC000407980893 838374319 /nfs/dbraw/zinc/37/43/19/838374319.db2.gz PMMFIZPBNOEPMA-AWEZNQCLSA-N 0 0 377.286 3.860 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N[C@H]3CCC(=O)NC34CCC4)sc2C1 ZINC000407986197 838400406 /nfs/dbraw/zinc/40/04/06/838400406.db2.gz SCJLRXFTYUXYID-DOMZBBRYSA-N 0 0 390.553 3.617 10 0 GHAERN COc1ccc([C@@H](NC(=O)N2Cc3cccc(Cl)c3C2)c2nccn2C)cc1 ZINC000377346509 839348829 /nfs/dbraw/zinc/34/88/29/839348829.db2.gz ONGGMHAWPZPCDS-LJQANCHMSA-N 0 0 396.878 3.897 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)no1 ZINC000174440848 839526173 /nfs/dbraw/zinc/52/61/73/839526173.db2.gz SXOOSXXVNSDYFK-UHFFFAOYSA-N 0 0 391.475 3.785 10 0 GHAERN Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000117032362 839538929 /nfs/dbraw/zinc/53/89/29/839538929.db2.gz ZNGLAYVZKYMHDQ-DYVFJYSZSA-N 0 0 375.542 3.756 10 0 GHAERN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330141366 839921634 /nfs/dbraw/zinc/92/16/34/839921634.db2.gz PYRISFJXTFDOIK-LZJOCLMNSA-N 0 0 391.581 3.824 10 0 GHAERN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4CCC[C@@H]43)c2)c1 ZINC000330227277 840242865 /nfs/dbraw/zinc/24/28/65/840242865.db2.gz BXIFUBBWGCLJIK-JXFKEZNVSA-N 0 0 384.501 3.810 10 0 GHAERN CN(C)C(=O)N1CCC(C(=O)OC/C=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000588391204 840330742 /nfs/dbraw/zinc/33/07/42/840330742.db2.gz CYUAWKIIXBKABT-XQRVVYSFSA-N 0 0 384.398 3.655 10 0 GHAERN COc1ccc([C@@H](CNC(=O)/C=C\c2ccncn2)c2c[nH]c3ccccc32)cc1 ZINC000588393411 840401119 /nfs/dbraw/zinc/40/11/19/840401119.db2.gz NWGIHSKAPZEMTL-ZRKSWWEUSA-N 0 0 398.466 3.928 10 0 GHAERN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(n2cncn2)CC1 ZINC000109699445 840522624 /nfs/dbraw/zinc/52/26/24/840522624.db2.gz FGPVFCBSQYOPSU-LBPRGKRZSA-N 0 0 392.385 3.745 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000106207723 840760484 /nfs/dbraw/zinc/76/04/84/840760484.db2.gz HMRPLUZIQJRENF-PKOBYXMFSA-N 0 0 397.523 3.527 10 0 GHAERN C/C(=C/c1ccc(C)cc1)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000588398558 840787342 /nfs/dbraw/zinc/78/73/42/840787342.db2.gz LJUOENGHQOEGKP-XLTVWXTISA-N 0 0 379.504 3.723 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000106368684 840928941 /nfs/dbraw/zinc/92/89/41/840928941.db2.gz IZYAZBOWUQSVDY-OAHLLOKOSA-N 0 0 388.320 3.870 10 0 GHAERN CC1(C)CN(S(=O)(=O)c2cnc3ccc(F)cc3c2)CC[C@@H]1C(F)(F)F ZINC000408114718 840963539 /nfs/dbraw/zinc/96/35/39/840963539.db2.gz IFHGRTGVZRYKJY-HNNXBMFYSA-N 0 0 390.402 3.973 10 0 GHAERN CN(C)C(=O)Nc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c(Cl)c1 ZINC000333312878 844595013 /nfs/dbraw/zinc/59/50/13/844595013.db2.gz FDSMEGDJSRODNJ-MEGQDDJESA-N 0 0 375.900 3.942 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1ccccc1Cl ZINC000120530771 841335112 /nfs/dbraw/zinc/33/51/12/841335112.db2.gz WMECTEBAXHSXHH-LJQANCHMSA-N 0 0 387.915 3.749 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000123578399 841394705 /nfs/dbraw/zinc/39/47/05/841394705.db2.gz MUIROWDUVHSMIG-FQEVSTJZSA-N 0 0 398.528 3.670 10 0 GHAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N1CCc2c1cccc2Cl ZINC000120279997 841455372 /nfs/dbraw/zinc/45/53/72/841455372.db2.gz GYGQMDLXYKZBFP-OAHLLOKOSA-N 0 0 375.900 3.593 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000588413777 841465147 /nfs/dbraw/zinc/46/51/47/841465147.db2.gz RLMHQRIRRIXZSG-YUQCYMQKSA-N 0 0 380.488 3.916 10 0 GHAERN Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000408180902 841864328 /nfs/dbraw/zinc/86/43/28/841864328.db2.gz XFVCTXHGLIAXIH-CYBMUJFWSA-N 0 0 383.853 3.538 10 0 GHAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)n1 ZINC000329284114 861246517 /nfs/dbraw/zinc/24/65/17/861246517.db2.gz FZBTVSNQMBQUTL-UNJWAJPSSA-N 0 0 388.556 3.612 10 0 GHAERN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000588424249 841993620 /nfs/dbraw/zinc/99/36/20/841993620.db2.gz FIUMYCCQNWYBOR-XKGFZTIGSA-N 0 0 380.897 3.739 10 0 GHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000153865199 842257222 /nfs/dbraw/zinc/25/72/22/842257222.db2.gz KVGBIMXYGPEQKR-VXKWHMMOSA-N 0 0 382.479 3.517 10 0 GHAERN CCOc1cc2c(cc1/C=C\C(=O)N1CCCCC[C@@H]1c1ncon1)O[C@H](C)C2 ZINC000588433406 842417544 /nfs/dbraw/zinc/41/75/44/842417544.db2.gz DADKWQOABBSMNK-KDZRNFMESA-N 0 0 397.475 3.949 10 0 GHAERN Cc1ccc(C(C)C)c(OCC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000588433754 842419183 /nfs/dbraw/zinc/41/91/83/842419183.db2.gz FKMXZQJTADJHTG-FPLPWBNLSA-N 0 0 376.497 3.694 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc(Cc2ccccc2)n1 ZINC000588434101 842442986 /nfs/dbraw/zinc/44/29/86/842442986.db2.gz UQUHHORYBCNWED-FPLPWBNLSA-N 0 0 387.505 3.545 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)n1 ZINC000328856077 842664425 /nfs/dbraw/zinc/66/44/25/842664425.db2.gz XEUDWAHSBJTPMC-INIZCTEOSA-N 0 0 385.468 3.847 10 0 GHAERN CCOc1cc2c(cc1CN1C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3C1=O)O[C@@H](C)C2 ZINC000329368976 861336246 /nfs/dbraw/zinc/33/62/46/861336246.db2.gz LKVBRUMOBZQLHD-ZZCKCESHSA-N 0 0 384.476 3.504 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000162826315 842871575 /nfs/dbraw/zinc/87/15/75/842871575.db2.gz RAVIHGPVYRMBHA-OXQOHEQNSA-N 0 0 377.488 3.689 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000408366472 842899894 /nfs/dbraw/zinc/89/98/94/842899894.db2.gz OQZVDDXZXRJKJV-NVXWUHKLSA-N 0 0 394.512 3.523 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000408366949 842902295 /nfs/dbraw/zinc/90/22/95/842902295.db2.gz QGIZMFLOLFBSBI-BRWVUGGUSA-N 0 0 384.929 3.542 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329412395 861389110 /nfs/dbraw/zinc/38/91/10/861389110.db2.gz CITLUIJWYWGQFF-VERUCKTNSA-N 0 0 382.460 3.504 10 0 GHAERN CN(C)c1nnc(-c2ccc(NC(=O)N3CCC[C@@H](c4nccs4)C3)cc2)o1 ZINC000162395157 843239136 /nfs/dbraw/zinc/23/91/36/843239136.db2.gz XZVRXMHGAUIMAI-CQSZACIVSA-N 0 0 398.492 3.671 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000162440376 843260447 /nfs/dbraw/zinc/26/04/47/843260447.db2.gz RBGWOFDWKXXBDG-LSDHHAIUSA-N 0 0 375.875 3.797 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC1 ZINC000162440502 843260795 /nfs/dbraw/zinc/26/07/95/843260795.db2.gz RBGWOFDWKXXBDG-GJZGRUSLSA-N 0 0 375.875 3.797 10 0 GHAERN Cc1nnc([C@@H](N[C@H](C)c2nnn(-c3ccc(F)cc3)c2C)c2ccccc2)[nH]1 ZINC000162567712 843276435 /nfs/dbraw/zinc/27/64/35/843276435.db2.gz NMOPFKBWKOSLRF-XCLFUZPHSA-N 0 0 391.454 3.582 10 0 GHAERN Cc1c(Br)cccc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162593225 843281560 /nfs/dbraw/zinc/28/15/60/843281560.db2.gz MMGKNMRIUFNNIS-UHFFFAOYSA-N 0 0 376.298 3.586 10 0 GHAERN O=C(Nc1ccc(Cl)cc1F)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112414142 843349584 /nfs/dbraw/zinc/34/95/84/843349584.db2.gz JXIXALWXANASMA-UHFFFAOYSA-N 0 0 381.860 3.921 10 0 GHAERN CSc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112416510 843350127 /nfs/dbraw/zinc/35/01/27/843350127.db2.gz CKVPEGKFRWYODW-UHFFFAOYSA-N 0 0 375.519 3.850 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000112307380 843352027 /nfs/dbraw/zinc/35/20/27/843352027.db2.gz SMPIFGOXEINIEJ-GJZGRUSLSA-N 0 0 390.455 3.505 10 0 GHAERN Cc1ccc(-n2cnnc2SCC(=O)N2CC[C@H]3CCC[C@H]32)cc1Cl ZINC000330295830 843560496 /nfs/dbraw/zinc/56/04/96/843560496.db2.gz FWJGPCLVZYPZGE-CZUORRHYSA-N 0 0 376.913 3.722 10 0 GHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000333063323 843941882 /nfs/dbraw/zinc/94/18/82/843941882.db2.gz DODPQZCWFHZTEE-XWTMOSNGSA-N 0 0 390.549 3.959 10 0 GHAERN COC1(C(F)(F)F)CCN(C(=O)N[C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000333395188 845125462 /nfs/dbraw/zinc/12/54/62/845125462.db2.gz AEQQVOGWSCTUIC-OLZOCXBDSA-N 0 0 392.443 3.721 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1)C1CCOCC1 ZINC000151430406 845205454 /nfs/dbraw/zinc/20/54/54/845205454.db2.gz CCVNPEMDSSWUGK-VQIMIIECSA-N 0 0 382.508 3.781 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000332985110 845284771 /nfs/dbraw/zinc/28/47/71/845284771.db2.gz DITSARSTPJEYFN-PBYMTVQHSA-N 0 0 393.325 3.642 10 0 GHAERN CCC(C)(C)c1ccc(CNC(=O)C2CCN(C(=O)c3cnoc3C)CC2)cc1 ZINC000151773620 845701476 /nfs/dbraw/zinc/70/14/76/845701476.db2.gz MXKVYHYEBBKFEJ-UHFFFAOYSA-N 0 0 397.519 3.839 10 0 GHAERN C[C@@H]1CCCC[C@@H]1OCc1noc([C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329548241 861630897 /nfs/dbraw/zinc/63/08/97/861630897.db2.gz BCLSAOVMSDXBHU-ZACQAIPSSA-N 0 0 376.501 3.560 10 0 GHAERN C[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)C1 ZINC000333598694 846332507 /nfs/dbraw/zinc/33/25/07/846332507.db2.gz MEJPMATUYJDJKO-DAXOMENPSA-N 0 0 389.496 3.739 10 0 GHAERN O=C(c1cc(-c2ccc3ccccc3c2)n[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333611659 846708195 /nfs/dbraw/zinc/70/81/95/846708195.db2.gz SBJZIAOUDCBOQA-AUSIDOKSSA-N 0 0 375.472 3.997 10 0 GHAERN CC(C)Cc1noc(CN2CCO[C@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000152473402 847158752 /nfs/dbraw/zinc/15/87/52/847158752.db2.gz YEYZNPZXCFKINU-UGSOOPFHSA-N 0 0 394.313 3.993 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c2ccccc21 ZINC000329618277 861783559 /nfs/dbraw/zinc/78/35/59/861783559.db2.gz LXPPMZPCMZYJKK-APWZRJJASA-N 0 0 396.491 3.787 10 0 GHAERN Cc1ccc(-c2c[nH]cc2C(=O)NC/C=C\CNC(=O)OC(C)(C)C)s1 ZINC000588528779 847677232 /nfs/dbraw/zinc/67/72/32/847677232.db2.gz UWMTZFKHBCIMTL-WAYWQWQTSA-N 0 0 375.494 3.862 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)n1 ZINC000167032827 861825935 /nfs/dbraw/zinc/82/59/35/861825935.db2.gz CCQQEVSSQFMNGG-PBAKHKOTSA-N 0 0 375.472 3.659 10 0 GHAERN CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3SCCc4sccc43)C2)no1 ZINC000329635260 861855898 /nfs/dbraw/zinc/85/58/98/861855898.db2.gz UJMOYKBBCQMUMV-WFASDCNBSA-N 0 0 377.535 3.991 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)[C@@H]3CCCO[C@H]3c3ccc(C)cc3)C2)no1 ZINC000329637444 861859922 /nfs/dbraw/zinc/85/99/22/861859922.db2.gz VQRRARODTXFEQG-DSKINZAPSA-N 0 0 383.492 3.635 10 0 GHAERN O=C(c1cccc(C(=O)N2CC3(CCCC3)c3c2cccc3F)n1)N1CCCC1 ZINC000153180586 848238456 /nfs/dbraw/zinc/23/84/56/848238456.db2.gz BZLWCMNGJIGESZ-UHFFFAOYSA-N 0 0 393.462 3.929 10 0 GHAERN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000588550919 848456785 /nfs/dbraw/zinc/45/67/85/848456785.db2.gz JGKKUIULCLYVSV-KHPPLWFESA-N 0 0 388.464 3.687 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N(Cc1ccco1)Cc1cccnc1 ZINC000153629958 848800516 /nfs/dbraw/zinc/80/05/16/848800516.db2.gz APXYDWQXBDTRNV-IBGZPJMESA-N 0 0 393.468 3.707 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000154741707 849367616 /nfs/dbraw/zinc/36/76/16/849367616.db2.gz QJYKUZQHUMCDRR-QGZVFWFLSA-N 0 0 399.800 3.797 10 0 GHAERN O=C(c1coc(-c2ccccc2)n1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000155104259 849448409 /nfs/dbraw/zinc/44/84/09/849448409.db2.gz GOLQPCDQOIOKLM-UHFFFAOYSA-N 0 0 381.476 3.596 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc2ccccc2c1 ZINC000155266392 849488613 /nfs/dbraw/zinc/48/86/13/849488613.db2.gz FKFUAOMCZPRGLS-QGZVFWFLSA-N 0 0 392.503 3.679 10 0 GHAERN COc1ccc(OC)c(NC(=O)[C@H](C)N(C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101566420 851665739 /nfs/dbraw/zinc/66/57/39/851665739.db2.gz QKNGQYNFBAIHIX-INIZCTEOSA-N 0 0 386.492 3.788 10 0 GHAERN COc1ccc(NC(=O)[C@H](C)N(C)Cc2cc(C)c(OC)c(C)c2)c(OC)c1 ZINC000101566229 851665909 /nfs/dbraw/zinc/66/59/09/851665909.db2.gz CWYAIQNGGIJRKI-INIZCTEOSA-N 0 0 386.492 3.788 10 0 GHAERN CCO[C@H]1C[C@H](N(C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)C12CCCC2 ZINC000121247986 851801569 /nfs/dbraw/zinc/80/15/69/851801569.db2.gz IPNFERTWFWLRGU-IRXDYDNUSA-N 0 0 381.476 3.839 10 0 GHAERN CC(=O)Nc1cccc(CS(=O)(=O)Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000101726118 851852126 /nfs/dbraw/zinc/85/21/26/851852126.db2.gz CXTSLLGCHSOEIT-UHFFFAOYSA-N 0 0 388.420 3.554 10 0 GHAERN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1 ZINC000101850354 851937007 /nfs/dbraw/zinc/93/70/07/851937007.db2.gz LAXXTAQACLBPDA-UHFFFAOYSA-N 0 0 384.461 3.549 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c2ccccc21 ZINC000329798675 862327884 /nfs/dbraw/zinc/32/78/84/862327884.db2.gz GRKIMECLFUVWGO-CUWPLCDZSA-N 0 0 382.504 3.667 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853919 862374673 /nfs/dbraw/zinc/37/46/73/862374673.db2.gz SHBPTZPOSZXWOF-RHSMWYFYSA-N 0 0 388.899 3.831 10 0 GHAERN O=C(Nc1ccc(CCn2cc(Br)cn2)cc1)N1C[C@@H]2CCC[C@@H]21 ZINC000329919649 862423561 /nfs/dbraw/zinc/42/35/61/862423561.db2.gz GLLUPRZJVUWOBV-YOEHRIQHSA-N 0 0 389.297 3.905 10 0 GHAERN Cc1c(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)cccc1N1CCNC1=O ZINC000164610090 853614062 /nfs/dbraw/zinc/61/40/62/853614062.db2.gz AEPYSHFRQSHBAX-QUCCMNQESA-N 0 0 397.519 3.669 10 0 GHAERN O=C(N[C@H]1CCO[C@@H](c2cccs2)C1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334077633 853961594 /nfs/dbraw/zinc/96/15/94/853961594.db2.gz KFNITKRDDNSWLP-WNRNVDISSA-N 0 0 378.538 3.551 10 0 GHAERN COc1ccsc1S(=O)(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122969983 854317484 /nfs/dbraw/zinc/31/74/84/854317484.db2.gz ZKJCDQFHWZUKRF-AWEZNQCLSA-N 0 0 379.503 3.872 10 0 GHAERN COc1cccc(CS(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000122968756 854317813 /nfs/dbraw/zinc/31/78/13/854317813.db2.gz NRBZEVZWKSHJBJ-LJQANCHMSA-N 0 0 387.501 3.951 10 0 GHAERN COCc1cc(N2Cc3ccccc3C[C@H]2c2nnc(C)o2)nc(C(C)(C)C)n1 ZINC000123960911 854448872 /nfs/dbraw/zinc/44/88/72/854448872.db2.gz MLJGCSVPKFRNME-SFHVURJKSA-N 0 0 393.491 3.916 10 0 GHAERN CO[C@@H](C)c1nc(C)c(C(=O)N2CCN[C@H](c3cccc(Cl)c3)C2)s1 ZINC000328666741 854496820 /nfs/dbraw/zinc/49/68/20/854496820.db2.gz CZZKNSFXHLKWHK-WFASDCNBSA-N 0 0 379.913 3.599 10 0 GHAERN C[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)C(=O)N(c1nccs1)C1CCCCC1 ZINC000328711005 854517788 /nfs/dbraw/zinc/51/77/88/854517788.db2.gz RFRFJJQNFLZXOU-GOEBONIOSA-N 0 0 390.553 3.829 10 0 GHAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248023433 854550064 /nfs/dbraw/zinc/55/00/64/854550064.db2.gz OFKNTODOUPZXNY-BONVTDFDSA-N 0 0 398.739 3.963 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000328935192 854608051 /nfs/dbraw/zinc/60/80/51/854608051.db2.gz JFFRPDDYHSKCOJ-SFHLNBCPSA-N 0 0 382.508 3.645 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCC2 ZINC000328976921 854638454 /nfs/dbraw/zinc/63/84/54/854638454.db2.gz DCBTUKIWBAXDOJ-GSEOLPGOSA-N 0 0 389.540 3.738 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCC2 ZINC000328976923 854638476 /nfs/dbraw/zinc/63/84/76/854638476.db2.gz DCBTUKIWBAXDOJ-VBSBHUPXSA-N 0 0 389.540 3.738 10 0 GHAERN O=C(C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1)Nc1ccc(F)cc1F ZINC000105685473 855131661 /nfs/dbraw/zinc/13/16/61/855131661.db2.gz WVVAHDWPRLVWES-MHZLTWQESA-N 0 0 394.374 3.646 10 0 GHAERN Cc1cccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1Br ZINC000190495572 855327228 /nfs/dbraw/zinc/32/72/28/855327228.db2.gz BADUQSXYOWWHCJ-QAPCUYQASA-N 0 0 381.314 3.594 10 0 GHAERN C[C@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(F)c(Cl)c1 ZINC000056941957 855415958 /nfs/dbraw/zinc/41/59/58/855415958.db2.gz JZBMMWJEGFBOSL-LBPRGKRZSA-N 0 0 395.887 3.769 10 0 GHAERN CC(C)(C)[C@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000172172327 855860818 /nfs/dbraw/zinc/86/08/18/855860818.db2.gz YFPZQRUKEQAMIC-DOTOQJQBSA-N 0 0 378.538 3.763 10 0 GHAERN COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccccc2C)c2nccn2C)c1 ZINC000045595616 856741000 /nfs/dbraw/zinc/74/10/00/856741000.db2.gz DSQRJDCETCUSQK-OXJNMPFZSA-N 0 0 378.476 3.887 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C1(Sc3ccccc3)CCCC1)CC2 ZINC000134070185 858829353 /nfs/dbraw/zinc/82/93/53/858829353.db2.gz WXROUWQKFFJLOD-INIZCTEOSA-N 0 0 384.549 3.938 10 0 GHAERN CC(=O)N(c1nc(CN2CC[C@@H](Oc3cccnc3)C2)cs1)c1ccccc1 ZINC000166724761 859972418 /nfs/dbraw/zinc/97/24/18/859972418.db2.gz MZAPGZRAACXURU-HXUWFJFHSA-N 0 0 394.500 3.876 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)cc2NC1=O ZINC000021449084 860235464 /nfs/dbraw/zinc/23/54/64/860235464.db2.gz IDPGKVXJHDLNGD-LBPRGKRZSA-N 0 0 395.390 3.771 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1ccncc1 ZINC000022753420 860270946 /nfs/dbraw/zinc/27/09/46/860270946.db2.gz UHJHTVZHPNMTIU-YLJYHZDGSA-N 0 0 387.483 3.964 10 0 GHAERN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000023763953 860303500 /nfs/dbraw/zinc/30/35/00/860303500.db2.gz XKZJYUNLZVNHCR-APPDUMDISA-N 0 0 376.428 3.987 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccccc3OC(F)F)C2)c1 ZINC000102524639 860314705 /nfs/dbraw/zinc/31/47/05/860314705.db2.gz YYVQYEYFTACYGE-AWEZNQCLSA-N 0 0 391.418 3.945 10 0 GHAERN Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3c3nccs3)CC2=O)c1C ZINC000171654256 860428234 /nfs/dbraw/zinc/42/82/34/860428234.db2.gz YDAKOJNHAFBOOC-FUHWJXTLSA-N 0 0 383.517 3.867 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)CC2 ZINC000172605971 860434915 /nfs/dbraw/zinc/43/49/15/860434915.db2.gz GLJVBZCDIGWUGB-IRXDYDNUSA-N 0 0 387.915 3.916 10 0 GHAERN Cc1nnc([C@H]2CN(C(=O)C3(c4cccc(Cl)c4)CCCCC3)CCO2)[nH]1 ZINC000173092498 860436862 /nfs/dbraw/zinc/43/68/62/860436862.db2.gz ZYHSBZQPUGWCID-QGZVFWFLSA-N 0 0 388.899 3.569 10 0 GHAERN Cc1cccc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000102751770 860578801 /nfs/dbraw/zinc/57/88/01/860578801.db2.gz VXCPZXVIAYUNIP-IBGZPJMESA-N 0 0 397.544 3.519 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CCO2)n1 ZINC000282399878 860683311 /nfs/dbraw/zinc/68/33/11/860683311.db2.gz KMNREBIDVLILOM-HUUCEWRRSA-N 0 0 393.509 3.911 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)NCCCNC(=O)OC(C)(C)C)c2)oc1C ZINC000103576930 881576050 /nfs/dbraw/zinc/57/60/50/881576050.db2.gz GNPOYPJFPXHCOD-UHFFFAOYSA-N 0 0 388.468 3.995 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000102539846 860755625 /nfs/dbraw/zinc/75/56/25/860755625.db2.gz VYPJDDDTSDHXFX-UHFFFAOYSA-N 0 0 395.503 3.783 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000102749675 860847030 /nfs/dbraw/zinc/84/70/30/860847030.db2.gz JPNZVDLOZIPYBX-CYBMUJFWSA-N 0 0 380.897 3.983 10 0 GHAERN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([C@@H](C)OC)c2)cc1 ZINC000102754711 860849516 /nfs/dbraw/zinc/84/95/16/860849516.db2.gz OZSUHHPFVZXPDH-CQSZACIVSA-N 0 0 376.478 3.798 10 0 GHAERN CC1(C)CCCN1C(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000102920071 860903001 /nfs/dbraw/zinc/90/30/01/860903001.db2.gz JITNOMOJQRXYOU-UHFFFAOYSA-N 0 0 392.565 3.585 10 0 GHAERN CCOCc1ccc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102940806 860910602 /nfs/dbraw/zinc/91/06/02/860910602.db2.gz GGKXYLFGWWHZRO-LJQANCHMSA-N 0 0 382.460 3.999 10 0 GHAERN COc1ccc([C@@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000102979386 860928424 /nfs/dbraw/zinc/92/84/24/860928424.db2.gz BQHXREGSJJIFDN-AUUYWEPGSA-N 0 0 399.528 3.784 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000329009168 860944160 /nfs/dbraw/zinc/94/41/60/860944160.db2.gz ZWWCAFZSWHOHFT-BHIYHBOVSA-N 0 0 389.521 3.593 10 0 GHAERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000332978740 863356039 /nfs/dbraw/zinc/35/60/39/863356039.db2.gz SLQCOGBDCPBYKO-OKYOBFRVSA-N 0 0 377.504 3.536 10 0 GHAERN COc1ccc(-n2cnnc2S[C@H](C)c2nnc(-c3ccccc3)o2)cn1 ZINC000103352893 863970520 /nfs/dbraw/zinc/97/05/20/863970520.db2.gz DLSPYBLHHNYVQI-GFCCVEGCSA-N 0 0 380.433 3.574 10 0 GHAERN CC(C)(C)c1nc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)cs1 ZINC000103258917 863976395 /nfs/dbraw/zinc/97/63/95/863976395.db2.gz HEMVJQKYAFZFPL-UHFFFAOYSA-N 0 0 375.494 3.622 10 0 GHAERN CC(=O)NCc1ccc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)s1 ZINC000151721641 863988711 /nfs/dbraw/zinc/98/87/11/863988711.db2.gz CEDMXBRLSIZSBL-QGZVFWFLSA-N 0 0 384.501 3.951 10 0 GHAERN CO[C@H](C)c1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000103788007 864054377 /nfs/dbraw/zinc/05/43/77/864054377.db2.gz PILSULVSOMAZJM-UONOGXRCSA-N 0 0 379.453 3.724 10 0 GHAERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103737035 864076025 /nfs/dbraw/zinc/07/60/25/864076025.db2.gz NIOLBDYFTPQHMQ-QGZVFWFLSA-N 0 0 388.258 3.850 10 0 GHAERN CC(C)N(C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000103783763 864092588 /nfs/dbraw/zinc/09/25/88/864092588.db2.gz JWJNRZPSEHNZBC-CQSZACIVSA-N 0 0 381.444 3.959 10 0 GHAERN COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c(F)c1 ZINC000103934532 864116514 /nfs/dbraw/zinc/11/65/14/864116514.db2.gz MXTQTFZXZJCSQW-UHFFFAOYSA-N 0 0 381.407 3.726 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)c2)no1 ZINC000104326580 864280365 /nfs/dbraw/zinc/28/03/65/864280365.db2.gz FGCOKDZVMHSYLQ-SFHVURJKSA-N 0 0 391.431 3.680 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000104456429 864325216 /nfs/dbraw/zinc/32/52/16/864325216.db2.gz WJZBMZMNXBNHEJ-UHFFFAOYSA-N 0 0 388.895 3.560 10 0 GHAERN COc1ccccc1CCN(C)C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000104458706 864325939 /nfs/dbraw/zinc/32/59/39/864325939.db2.gz CTWMVJAQMKXOCW-UHFFFAOYSA-N 0 0 392.455 3.962 10 0 GHAERN c1ccc(CSc2cncc(N3CCC(OC4CCOCC4)CC3)n2)cc1 ZINC000301817138 865549789 /nfs/dbraw/zinc/54/97/89/865549789.db2.gz JXNUDAOBXQMDGA-UHFFFAOYSA-N 0 0 385.533 3.933 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3oc4c(c3C)c(C)ccc4C)CCO2)n1 ZINC000110900291 866661782 /nfs/dbraw/zinc/66/17/82/866661782.db2.gz NYXFOKDJEBPTBM-GOSISDBHSA-N 0 0 381.476 3.713 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)c3cc(C(C)C)nc4ccccc43)CC2)n1 ZINC000110893797 866661800 /nfs/dbraw/zinc/66/18/00/866661800.db2.gz FJEWGXUBBTVDGB-HNNXBMFYSA-N 0 0 393.491 3.569 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)CCO2)c1 ZINC000112107524 866716423 /nfs/dbraw/zinc/71/64/23/866716423.db2.gz OYPUPALWDAWVDM-PXNSSMCTSA-N 0 0 384.524 3.661 10 0 GHAERN CC(C)[C@@H](C)CC(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112678827 866736390 /nfs/dbraw/zinc/73/63/90/866736390.db2.gz UYBKZAGFLQITFO-LSDHHAIUSA-N 0 0 376.526 3.686 10 0 GHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)o1 ZINC000173591296 866807768 /nfs/dbraw/zinc/80/77/68/866807768.db2.gz WFKXJEUMRYBKGD-IAGOWNOFSA-N 0 0 388.489 3.743 10 0 GHAERN Cc1cc(-c2noc(CCC(=O)Nc3cccc(-c4ncon4)c3)n2)ccc1F ZINC000170632161 882042191 /nfs/dbraw/zinc/04/21/91/882042191.db2.gz QRPBEQRIFZOYML-UHFFFAOYSA-N 0 0 393.378 3.805 10 0 GHAERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151284763 867252113 /nfs/dbraw/zinc/25/21/13/867252113.db2.gz BWXZLEASQDLSNJ-JLTOFOAXSA-N 0 0 378.538 3.808 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)n1 ZINC000170890448 882067655 /nfs/dbraw/zinc/06/76/55/882067655.db2.gz ZHIHIQDNASOYJS-CQSZACIVSA-N 0 0 376.551 3.611 10 0 GHAERN CCCc1c(C(=O)N2CCC[C@H](c3nccs3)C2)[nH]c(C)c1C(=O)OC ZINC000170891769 882068823 /nfs/dbraw/zinc/06/88/23/882068823.db2.gz RRFXCWNTWKYNFZ-ZDUSSCGKSA-N 0 0 375.494 3.539 10 0 GHAERN CC(C)(C)OC(=O)NCCCC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000171300554 882097646 /nfs/dbraw/zinc/09/76/46/882097646.db2.gz KNXPEFLBLAVIKD-UHFFFAOYSA-N 0 0 379.476 3.534 10 0 GHAERN C[C@@H]1CN(Cc2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2)C[C@H](C)O1 ZINC000171643631 882120443 /nfs/dbraw/zinc/12/04/43/882120443.db2.gz LTUYLJMZSYCAER-QKLQHJQFSA-N 0 0 399.560 3.772 10 0 GHAERN O=C(c1n[nH]c2ccc(Br)cc21)N1CCC[C@H](c2nccs2)C1 ZINC000171777479 882159993 /nfs/dbraw/zinc/15/99/93/882159993.db2.gz OVEFDSGAVHWXSR-JTQLQIEISA-N 0 0 391.294 3.802 10 0 GHAERN Cc1ccc2cccc(NC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)c2n1 ZINC000172062045 882166006 /nfs/dbraw/zinc/16/60/06/882166006.db2.gz AMJPYMPGBZVFMR-KRWDZBQOSA-N 0 0 386.459 3.997 10 0 GHAERN CC(C)(CNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1cccs1 ZINC000172037602 882183948 /nfs/dbraw/zinc/18/39/48/882183948.db2.gz VNJKQQDKEGLNKZ-UHFFFAOYSA-N 0 0 391.581 3.850 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000172222253 882188518 /nfs/dbraw/zinc/18/85/18/882188518.db2.gz PINHMKGSNHZDPJ-KBPBESRZSA-N 0 0 375.494 3.811 10 0 GHAERN Cc1c([C@H](C)NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000172249095 882191502 /nfs/dbraw/zinc/19/15/02/882191502.db2.gz JPXGKLYIVKRGPF-MAUKXSAKSA-N 0 0 392.507 3.769 10 0 GHAERN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248444768 868925137 /nfs/dbraw/zinc/92/51/37/868925137.db2.gz WFGIUGGAUDNVBE-ILZDJORESA-N 0 0 385.508 3.510 10 0 GHAERN Cc1ccc(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)cc1NC(=O)C(C)(C)C ZINC000172495914 882289900 /nfs/dbraw/zinc/28/99/00/882289900.db2.gz JZFHXGOYBZJEJH-OALUTQOASA-N 0 0 381.476 3.759 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000172506386 882291468 /nfs/dbraw/zinc/29/14/68/882291468.db2.gz FIOXDCUVEFRNFQ-KRWDZBQOSA-N 0 0 396.834 3.596 10 0 GHAERN CC(C)C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000172506233 882291623 /nfs/dbraw/zinc/29/16/23/882291623.db2.gz LJOIYOLALAMMEA-GOSISDBHSA-N 0 0 378.432 3.579 10 0 GHAERN CC[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(Cl)cc1 ZINC000172511333 882291723 /nfs/dbraw/zinc/29/17/23/882291723.db2.gz RPETZBHKABOMNB-INIZCTEOSA-N 0 0 384.823 3.596 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(Cl)cc1 ZINC000172511337 882291897 /nfs/dbraw/zinc/29/18/97/882291897.db2.gz RPETZBHKABOMNB-MRXNPFEDSA-N 0 0 384.823 3.596 10 0 GHAERN CC(C)(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(F)cc1 ZINC000172523302 882292987 /nfs/dbraw/zinc/29/29/87/882292987.db2.gz BDWBRLLPDDWIQZ-QGZVFWFLSA-N 0 0 396.422 3.718 10 0 GHAERN O=C(NCCc1cc2ccccc2o1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172556274 882295756 /nfs/dbraw/zinc/29/57/56/882295756.db2.gz QVXMSFXUZVFNAS-UHFFFAOYSA-N 0 0 382.485 3.705 10 0 GHAERN C[C@H](NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000172709414 882301034 /nfs/dbraw/zinc/30/10/34/882301034.db2.gz NIZHPNLQRBVNRW-RYUDHWBXSA-N 0 0 395.521 3.907 10 0 GHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172738898 882305095 /nfs/dbraw/zinc/30/50/95/882305095.db2.gz YJSQGWDBQVNVLP-SFHVURJKSA-N 0 0 391.515 3.761 10 0 GHAERN COc1ccccc1-c1nnc(C[S@](=O)Cc2nc3ccccc3s2)o1 ZINC000172824399 882310430 /nfs/dbraw/zinc/31/04/30/882310430.db2.gz OHKOALZNXDGOIW-SANMLTNESA-N 0 0 385.470 3.804 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)n1 ZINC000173066096 882318568 /nfs/dbraw/zinc/31/85/68/882318568.db2.gz YPPKAGZNLWAERZ-GOSISDBHSA-N 0 0 383.517 3.594 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000172915148 882323228 /nfs/dbraw/zinc/32/32/28/882323228.db2.gz NEUJIEHLQKVSJY-FGZHOGPDSA-N 0 0 396.487 3.639 10 0 GHAERN O=C(NCCc1ccn(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2nccs2)C1 ZINC000173271647 882344975 /nfs/dbraw/zinc/34/49/75/882344975.db2.gz ZPZICGKYOUTMBI-OAHLLOKOSA-N 0 0 399.495 3.600 10 0 GHAERN O=C(OCc1cnc(-c2cccs2)o1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000173102742 882349627 /nfs/dbraw/zinc/34/96/27/882349627.db2.gz JXCLYXWQZJRFIY-MRXNPFEDSA-N 0 0 397.456 3.536 10 0 GHAERN O=C(C1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1)N1CCCCCC1 ZINC000173481306 882364494 /nfs/dbraw/zinc/36/44/94/882364494.db2.gz RNLCEAVDLYCTBO-UHFFFAOYSA-N 0 0 384.499 3.626 10 0 GHAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@@H](c2nccs2)C1 ZINC000114741200 870119866 /nfs/dbraw/zinc/11/98/66/870119866.db2.gz KXHIXXDXEDJRSZ-SNVBAGLBSA-N 0 0 394.415 3.869 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cs1 ZINC000187061664 870246793 /nfs/dbraw/zinc/24/67/93/870246793.db2.gz ZWKOBLJZPYLBQI-GUYCJALGSA-N 0 0 389.908 3.822 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(-n2cccn2)cc1 ZINC000173657098 882389538 /nfs/dbraw/zinc/38/95/38/882389538.db2.gz OTZAZBVTVYYHRE-DOTOQJQBSA-N 0 0 381.505 3.979 10 0 GHAERN CC[C@@]1(C)Oc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)cc2O1 ZINC000188648036 870278544 /nfs/dbraw/zinc/27/85/44/870278544.db2.gz IDZUJSIDUMDFAH-XOBRGWDASA-N 0 0 386.473 3.889 10 0 GHAERN O=C(OCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173674639 882390785 /nfs/dbraw/zinc/39/07/85/882390785.db2.gz XSEDQQSSPQQXKX-UHFFFAOYSA-N 0 0 393.270 3.984 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000043398238 870289714 /nfs/dbraw/zinc/28/97/14/870289714.db2.gz ZNSVDKCYAZXPQG-INIZCTEOSA-N 0 0 387.867 3.822 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cs1 ZINC000190015662 870317443 /nfs/dbraw/zinc/31/74/43/870317443.db2.gz JOILRFMMRBXTBN-RDJZCZTQSA-N 0 0 389.908 3.822 10 0 GHAERN CC(C)Cc1noc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000173914126 882396145 /nfs/dbraw/zinc/39/61/45/882396145.db2.gz VAHOKPIZPUTMFC-UHFFFAOYSA-N 0 0 395.868 3.692 10 0 GHAERN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046494690 870434399 /nfs/dbraw/zinc/43/43/99/870434399.db2.gz HIEHIMREDUCSAO-LEWJYISDSA-N 0 0 392.503 3.602 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000173848479 882409765 /nfs/dbraw/zinc/40/97/65/882409765.db2.gz ABAPOJSGQAHYJX-APWZRJJASA-N 0 0 376.460 3.603 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCNC4=O)c3C)C2)cc1 ZINC000173848524 882410122 /nfs/dbraw/zinc/41/01/22/882410122.db2.gz PZPDNEBIQGBCHO-CRAIPNDOSA-N 0 0 393.487 3.551 10 0 GHAERN O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174080815 882422233 /nfs/dbraw/zinc/42/22/33/882422233.db2.gz OWZYEJYCPYQDKZ-OAQYLSRUSA-N 0 0 395.478 3.533 10 0 GHAERN COc1ccc(-c2nsc(NC(=O)/C=C/c3cnc4ccccc4n3)n2)cc1 ZINC000103035301 871072172 /nfs/dbraw/zinc/07/21/72/871072172.db2.gz ZRSOLIUULDBAKY-DHZHZOJOSA-N 0 0 389.440 3.809 10 0 GHAERN Cc1nc(C)c(CCNC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000174804785 882503550 /nfs/dbraw/zinc/50/35/50/882503550.db2.gz AVAGMKJDRMFOQF-UHFFFAOYSA-N 0 0 376.501 3.728 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103443944 871998501 /nfs/dbraw/zinc/99/85/01/871998501.db2.gz CRZYNFDKTXWRES-UHFFFAOYSA-N 0 0 375.494 3.763 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000175588218 882600872 /nfs/dbraw/zinc/60/08/72/882600872.db2.gz HNHAUGCSZRTPGX-HXUWFJFHSA-N 0 0 398.482 3.836 10 0 GHAERN C[C@H](Cc1ccccc1)OC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 ZINC000102134163 872627932 /nfs/dbraw/zinc/62/79/32/872627932.db2.gz JXHGHKSFKCJWEN-IAGOWNOFSA-N 0 0 398.528 3.973 10 0 GHAERN C[C@@H](Sc1ncccc1C(=O)O[C@@H](C)Cc1ccccc1)C(=O)N1CCCC1 ZINC000102134159 872628115 /nfs/dbraw/zinc/62/81/15/872628115.db2.gz JXHGHKSFKCJWEN-DLBZAZTESA-N 0 0 398.528 3.973 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)CCc3cccc(F)c3F)C2)o1 ZINC000102141715 872637096 /nfs/dbraw/zinc/63/70/96/872637096.db2.gz UBRPSGFAWXQZDH-OAHLLOKOSA-N 0 0 391.414 3.894 10 0 GHAERN CN(CCCc1cc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(C(N)=O)cc1 ZINC000176177034 882641996 /nfs/dbraw/zinc/64/19/96/882641996.db2.gz ZIZPNAYHRFWBLS-SDNWHVSQSA-N 0 0 389.455 3.545 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000176234572 882649451 /nfs/dbraw/zinc/64/94/51/882649451.db2.gz QFUFNWPPJFWMRD-RTBURBONSA-N 0 0 398.528 3.599 10 0 GHAERN CCn1c(C)nn(CN2CCN([C@H](C)c3ccccc3Cl)CC2)c1=S ZINC000102389562 872990086 /nfs/dbraw/zinc/99/00/86/872990086.db2.gz JMQXBTUXNLPWJJ-CQSZACIVSA-N 0 0 379.961 3.732 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@H]1Cn1ccnc1 ZINC000176344754 882680894 /nfs/dbraw/zinc/68/08/94/882680894.db2.gz SGODGPDAZQSENI-KRWDZBQOSA-N 0 0 381.411 3.906 10 0 GHAERN O=C(c1cccc(-n2cncn2)c1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000115385867 873086933 /nfs/dbraw/zinc/08/69/33/873086933.db2.gz DFARRKSUYWSQJZ-IBGZPJMESA-N 0 0 398.470 3.677 10 0 GHAERN COCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000176395444 882688795 /nfs/dbraw/zinc/68/87/95/882688795.db2.gz MXJVORPKCNOFJO-ZDUSSCGKSA-N 0 0 380.897 3.842 10 0 GHAERN CCO[C@@H](CCNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)C1CCCC1 ZINC000176508392 882700738 /nfs/dbraw/zinc/70/07/38/882700738.db2.gz DCCYZMPQWGDLBU-MOPGFXCFSA-N 0 0 399.539 3.604 10 0 GHAERN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000176479544 882696804 /nfs/dbraw/zinc/69/68/04/882696804.db2.gz JVLAAXGGAGXNKX-PBHICJAKSA-N 0 0 384.480 3.985 10 0 GHAERN CCOc1cc(C)ccc1CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000176603769 882719104 /nfs/dbraw/zinc/71/91/04/882719104.db2.gz BQJIPBWGUWUQFG-SFHVURJKSA-N 0 0 393.491 3.526 10 0 GHAERN COc1c(C)cnc(CN(C)C(=O)NC2CCN(c3cccs3)CC2)c1C ZINC000176629638 882720588 /nfs/dbraw/zinc/72/05/88/882720588.db2.gz XABOQYWCQNVZKQ-UHFFFAOYSA-N 0 0 388.537 3.579 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177007541 882725753 /nfs/dbraw/zinc/72/57/53/882725753.db2.gz UDNRPMBRQUCFTK-CQSZACIVSA-N 0 0 382.493 3.833 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)ccc1OC(F)F ZINC000176768570 882732532 /nfs/dbraw/zinc/73/25/32/882732532.db2.gz XHTLYZWNZJKAFG-QQOXCAACSA-N 0 0 379.359 3.503 10 0 GHAERN CCOc1ccccc1OCCCC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116669660 873614481 /nfs/dbraw/zinc/61/44/81/873614481.db2.gz IYCZNWNOLYVHNB-UHFFFAOYSA-N 0 0 397.519 3.733 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)CC2)cc1 ZINC000116818654 873726174 /nfs/dbraw/zinc/72/61/74/873726174.db2.gz FJWCZUMIMSIEGQ-FQEVSTJZSA-N 0 0 396.512 3.868 10 0 GHAERN Cn1c(=S)n(CN2CCC[C@H]2c2ccc3c(c2)OCO3)nc1-c1ccco1 ZINC000102921265 873881331 /nfs/dbraw/zinc/88/13/31/873881331.db2.gz TWPJDJWBGXCLJP-AWEZNQCLSA-N 0 0 384.461 3.734 10 0 GHAERN O=S(=O)(c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)cc1)C(F)F ZINC000102950514 873911087 /nfs/dbraw/zinc/91/10/87/873911087.db2.gz GXLNTAHXAGCTCL-INIZCTEOSA-N 0 0 395.427 3.749 10 0 GHAERN CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000004308531 874217537 /nfs/dbraw/zinc/21/75/37/874217537.db2.gz PXERGDOTCXKICT-JOCHJYFZSA-N 0 0 397.450 3.745 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc4c(c3)C(=O)CCC4)CC2)nc1 ZINC000177288634 882816207 /nfs/dbraw/zinc/81/62/07/882816207.db2.gz YKSHHSNEZQEZGY-UHFFFAOYSA-N 0 0 378.476 3.700 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000177324130 882818829 /nfs/dbraw/zinc/81/88/29/882818829.db2.gz GKZVZFFTIINDBX-OAHLLOKOSA-N 0 0 392.459 3.548 10 0 GHAERN COc1ccc(-c2nc(C[S@@](=O)Cc3nc4ccccc4s3)no2)cc1 ZINC000177952963 882851128 /nfs/dbraw/zinc/85/11/28/882851128.db2.gz UDVNGZJUBVLSAG-AREMUKBSSA-N 0 0 385.470 3.804 10 0 GHAERN O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000178304815 882884069 /nfs/dbraw/zinc/88/40/69/882884069.db2.gz CLSSIOSXVZLSLP-MJGOQNOKSA-N 0 0 384.888 3.781 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000105179251 875108437 /nfs/dbraw/zinc/10/84/37/875108437.db2.gz KYJIOKWYOZXWHM-UHFFFAOYSA-N 0 0 394.519 3.763 10 0 GHAERN O=C(CCc1nc(-c2ccncc2)no1)Oc1cccc(OCC(F)(F)F)c1 ZINC000105378989 875279932 /nfs/dbraw/zinc/27/99/32/875279932.db2.gz FODXPJCRWOONHQ-UHFFFAOYSA-N 0 0 393.321 3.611 10 0 GHAERN Cc1nc(COC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)OC(C)(C)C)oc1C ZINC000105513738 875314713 /nfs/dbraw/zinc/31/47/13/875314713.db2.gz PFAVKUNBGBUBQC-PMPSAXMXSA-N 0 0 378.469 3.903 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000119553023 875314818 /nfs/dbraw/zinc/31/48/18/875314818.db2.gz QTVXBKOUOFXBCY-QGZVFWFLSA-N 0 0 380.517 3.562 10 0 GHAERN CC(C)Oc1cccc(CN(C)C(=O)NCC[C@@H]2c3ccccc3NC2=O)c1 ZINC000178889188 882961487 /nfs/dbraw/zinc/96/14/87/882961487.db2.gz IPODLOAGVYGGIW-LJQANCHMSA-N 0 0 381.476 3.741 10 0 GHAERN C[C@H](NC(=O)NCC1(C)CCCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179723909 882995607 /nfs/dbraw/zinc/99/56/07/882995607.db2.gz HOBHRHCXDMXZHM-AWEZNQCLSA-N 0 0 384.517 3.950 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179493940 883003207 /nfs/dbraw/zinc/00/32/07/883003207.db2.gz IKGFBHLNRUTFAF-UHFFFAOYSA-N 0 0 391.475 3.833 10 0 GHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000179624940 883014931 /nfs/dbraw/zinc/01/49/31/883014931.db2.gz PDJBCFDHPDLOBR-HKUYNNGSSA-N 0 0 387.867 3.858 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000120853234 876319400 /nfs/dbraw/zinc/31/94/00/876319400.db2.gz PHYXVIUCKMJPMX-SJKOYZFVSA-N 0 0 392.286 3.870 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(C(=O)C[C@@H](O)c2ccccc2)CC1 ZINC000180278881 883072511 /nfs/dbraw/zinc/07/25/11/883072511.db2.gz DOUUKOJMZOXIFG-OAQYLSRUSA-N 0 0 377.488 3.886 10 0 GHAERN CC(C)(O)CN(Cc1ccccc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000180725782 883095525 /nfs/dbraw/zinc/09/55/25/883095525.db2.gz FETDBMFIPGGNGC-UHFFFAOYSA-N 0 0 387.549 3.700 10 0 GHAERN O=C(Nc1cccnc1-c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000121583059 877332389 /nfs/dbraw/zinc/33/23/89/877332389.db2.gz KPWXGRUKPYJSNP-UHFFFAOYSA-N 0 0 386.455 3.635 10 0 GHAERN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)N[C@@H]1CCO[C@H]1C)CC2 ZINC000129727371 877645474 /nfs/dbraw/zinc/64/54/74/877645474.db2.gz ZKWDKMIFEXVSLV-LYLBAIIYSA-N 0 0 396.487 3.538 10 0 GHAERN Cc1nc(-c2cccs2)ccc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000121876497 877918404 /nfs/dbraw/zinc/91/84/04/877918404.db2.gz RKBPRLXYJLSUOG-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3sc(-c4ncccn4)nc3C)C2)cc1 ZINC000121895136 877929200 /nfs/dbraw/zinc/92/92/00/877929200.db2.gz OUKKLWVZRZNPHR-BBRMVZONSA-N 0 0 394.500 3.935 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)C1 ZINC000133299242 878908154 /nfs/dbraw/zinc/90/81/54/878908154.db2.gz HQQJJVHEQUNUOR-LJQANCHMSA-N 0 0 395.507 3.551 10 0 GHAERN COc1cccc(Nc2nnc(SCC(=O)NC3CCCCC3)s2)c1 ZINC000003439746 879004474 /nfs/dbraw/zinc/00/44/74/879004474.db2.gz GCGGKCFUAZPZMX-UHFFFAOYSA-N 0 0 378.523 3.831 10 0 GHAERN O=C(NCc1cccc(OC(F)F)c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000122643584 879237614 /nfs/dbraw/zinc/23/76/14/879237614.db2.gz VBKWQOHAGBSRKV-GOEBONIOSA-N 0 0 380.391 3.679 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC[C@@H]4[C@H]4COCC[C@]4(C)O)cc3c2C1 ZINC000285448480 879307395 /nfs/dbraw/zinc/30/73/95/879307395.db2.gz PXZXROSVWMWIGZ-MODREIIFSA-N 0 0 396.531 3.685 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000249427861 879665719 /nfs/dbraw/zinc/66/57/19/879665719.db2.gz JBAYHFLGGJMMQX-UXEPBGEESA-N 0 0 392.368 3.905 10 0 GHAERN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1NC(=O)c1ccccc1 ZINC000181187792 883153909 /nfs/dbraw/zinc/15/39/09/883153909.db2.gz CUPBEEPDXAEMKZ-IBGZPJMESA-N 0 0 389.459 3.733 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1c(Cl)ccc(Cl)c1Cl ZINC000183055611 883258107 /nfs/dbraw/zinc/25/81/07/883258107.db2.gz FNCKYWDVDKUYKA-CYBMUJFWSA-N 0 0 398.677 3.967 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)n1 ZINC000183219285 883272117 /nfs/dbraw/zinc/27/21/17/883272117.db2.gz SSWXATYYEGATRU-NSHDSACASA-N 0 0 396.310 3.643 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)C[C@H]3c3cccnc3)CC2)nc1 ZINC000183587966 883290658 /nfs/dbraw/zinc/29/06/58/883290658.db2.gz FPZUQYWOLGQTRV-XLIONFOSSA-N 0 0 379.508 3.547 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2C)c2ccc(F)cc2C1 ZINC000184009884 883297174 /nfs/dbraw/zinc/29/71/74/883297174.db2.gz JYSPYBRGQZNWFV-OYHNWAKOSA-N 0 0 395.478 3.948 10 0 GHAERN O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184083761 883314577 /nfs/dbraw/zinc/31/45/77/883314577.db2.gz VKORRTUXXHJSFJ-UHFFFAOYSA-N 0 0 383.471 3.565 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1)c1ccccc1 ZINC000184077382 883315730 /nfs/dbraw/zinc/31/57/30/883315730.db2.gz NSNJRZJIFQPMSV-SFHVURJKSA-N 0 0 390.447 3.816 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)/C(C)=C/c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000184111986 883321173 /nfs/dbraw/zinc/32/11/73/883321173.db2.gz LJTFXQKLDZNUHT-QGFLDLQWSA-N 0 0 384.426 3.978 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H](C(C)C)CC2)CC1 ZINC000184822894 883383979 /nfs/dbraw/zinc/38/39/79/883383979.db2.gz LXMPRFAGSOMIQN-AEFFLSMTSA-N 0 0 375.513 3.556 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000185508209 883547089 /nfs/dbraw/zinc/54/70/89/883547089.db2.gz FAIHADDIOVYLJW-HXUWFJFHSA-N 0 0 390.405 3.646 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C[C@H]2CCOc3ccccc32)c2ccc(F)cc2C1 ZINC000185506538 883547438 /nfs/dbraw/zinc/54/74/38/883547438.db2.gz TWCOSBVEJZCNNS-IIBYNOLFSA-N 0 0 396.462 3.692 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)c2ccc(F)cc2C1 ZINC000185518617 883550311 /nfs/dbraw/zinc/55/03/11/883550311.db2.gz XKSIXGIENAKIJN-JOCHJYFZSA-N 0 0 391.446 3.840 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000185532764 883551517 /nfs/dbraw/zinc/55/15/17/883551517.db2.gz BWBWDSAQDVVOAJ-GOSISDBHSA-N 0 0 377.366 3.719 10 0 GHAERN COc1ccccc1/C(C)=C/C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185557014 883557083 /nfs/dbraw/zinc/55/70/83/883557083.db2.gz CPGVLMBGPZMYQZ-FFXXTYGZSA-N 0 0 396.462 3.847 10 0 GHAERN CSc1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1F ZINC000185568337 883558392 /nfs/dbraw/zinc/55/83/92/883558392.db2.gz OLUGRPSJRCVHGG-GOSISDBHSA-N 0 0 390.455 3.910 10 0 GHAERN C[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1cc(Cl)ccc1Cl ZINC000186293106 883636276 /nfs/dbraw/zinc/63/62/76/883636276.db2.gz WGFSTMYOGCOXCN-LLVKDONJSA-N 0 0 391.262 3.530 10 0 GHAERN C[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccc(N2CCCC2)c1 ZINC000186534357 883661631 /nfs/dbraw/zinc/66/16/31/883661631.db2.gz GJRJFDMOELVXJB-IBGZPJMESA-N 0 0 393.535 3.665 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)ccc2NC1=O ZINC000186635985 883679113 /nfs/dbraw/zinc/67/91/13/883679113.db2.gz JVABCULXKRVDIM-OAHLLOKOSA-N 0 0 382.439 3.900 10 0 GHAERN Cc1ccc(N2CCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)CC2)cc1C ZINC000186661995 883684693 /nfs/dbraw/zinc/68/46/93/883684693.db2.gz DECUUHQKDHKHJQ-UHFFFAOYSA-N 0 0 393.491 3.635 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@@H](c4ccc(F)cc4F)C3)nc21 ZINC000186891460 883728091 /nfs/dbraw/zinc/72/80/91/883728091.db2.gz JYBYQTIECGZOOY-GOSISDBHSA-N 0 0 385.414 3.682 10 0 GHAERN O=C(CCN1CCc2c(cccc2N2CCOC2=O)C1)c1ccc(F)cc1F ZINC000187087992 883753034 /nfs/dbraw/zinc/75/30/34/883753034.db2.gz ASIFRZIQOMNUHW-UHFFFAOYSA-N 0 0 386.398 3.553 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3c(F)cc(Cl)cc3F)CC2)n1 ZINC000188232226 883841682 /nfs/dbraw/zinc/84/16/82/883841682.db2.gz OWZCHSSWBMKXCX-UHFFFAOYSA-N 0 0 397.813 3.525 10 0 GHAERN CCCCCNC(=O)C1CCN(C(=O)N[C@H]2CCOc3c(C)cccc32)CC1 ZINC000188614355 883867878 /nfs/dbraw/zinc/86/78/78/883867878.db2.gz YZPDTHIDUDSDSU-IBGZPJMESA-N 0 0 387.524 3.547 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188891258 883891672 /nfs/dbraw/zinc/89/16/72/883891672.db2.gz WDDOFHGDDJSKRD-UHFFFAOYSA-N 0 0 376.482 3.659 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3nc(Br)ccc3C)CC2)nc1 ZINC000189134091 883907546 /nfs/dbraw/zinc/90/75/46/883907546.db2.gz OGVRVTQQDIGHRO-UHFFFAOYSA-N 0 0 390.281 3.540 10 0 GHAERN COc1ncnc2c1CN(C(=O)Nc1cccnc1-c1ccc(C)s1)CC2 ZINC000189472239 883946085 /nfs/dbraw/zinc/94/60/85/883946085.db2.gz LKORCSPVGBOOGB-UHFFFAOYSA-N 0 0 381.461 3.507 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189792162 883994909 /nfs/dbraw/zinc/99/49/09/883994909.db2.gz SQIFIADEFNQSAT-UHFFFAOYSA-N 0 0 381.520 3.793 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189856126 884017114 /nfs/dbraw/zinc/01/71/14/884017114.db2.gz WCXMOPUAVAZZCU-QFBILLFUSA-N 0 0 390.483 3.990 10 0 GHAERN O=C(c1ccn(-c2c(F)cccc2F)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189849957 884017134 /nfs/dbraw/zinc/01/71/34/884017134.db2.gz WNJLEWWAINHWLK-UHFFFAOYSA-N 0 0 395.409 3.859 10 0 GHAERN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189854996 884017526 /nfs/dbraw/zinc/01/75/26/884017526.db2.gz JDGHFOMULCRCEA-SFHVURJKSA-N 0 0 390.483 3.673 10 0 GHAERN O=C(C1CCN(C(=O)C2(Cc3ccccc3F)CC2)CC1)N1CCCCCC1 ZINC000189915358 884022696 /nfs/dbraw/zinc/02/26/96/884022696.db2.gz ZBUREUGUABFFRS-UHFFFAOYSA-N 0 0 386.511 3.790 10 0 GHAERN CCCCN(Cc1ccccc1Cl)C(=O)c1cnc2sccn2c1=O ZINC000102647398 884026972 /nfs/dbraw/zinc/02/69/72/884026972.db2.gz COFDNVSKYLLSSK-UHFFFAOYSA-N 0 0 375.881 3.852 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCSc2ccc(Cl)cc2)C1 ZINC000190011951 884042298 /nfs/dbraw/zinc/04/22/98/884042298.db2.gz ZKGFSUCEDBGTDF-ZFWWWQNUSA-N 0 0 381.885 3.502 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)C1 ZINC000190008127 884042757 /nfs/dbraw/zinc/04/27/57/884042757.db2.gz NCVFNIZLDDWDOW-LYRGGWFBSA-N 0 0 397.397 3.879 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000190154973 884049533 /nfs/dbraw/zinc/04/95/33/884049533.db2.gz UWLAMFAYUBFJNV-LJQANCHMSA-N 0 0 382.508 3.698 10 0 GHAERN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N1CCC[C@@]12CCOC2=O ZINC000190328717 884068770 /nfs/dbraw/zinc/06/87/70/884068770.db2.gz CNLGNRJJLKVIKS-APWZRJJASA-N 0 0 390.892 3.982 10 0 GHAERN CCOc1ccc(C(=O)CCC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190366251 884071450 /nfs/dbraw/zinc/07/14/50/884071450.db2.gz LCWBFMIYJWBDQL-UHFFFAOYSA-N 0 0 387.505 3.608 10 0 GHAERN COc1cc(C(=O)N2CCC(Nc3nccs3)CC2)ccc1OCC(C)C ZINC000190407709 884078234 /nfs/dbraw/zinc/07/82/34/884078234.db2.gz XVEZXFBPHSJEIM-UHFFFAOYSA-N 0 0 389.521 3.903 10 0 GHAERN COc1cc(Cl)c(Cl)cc1NC(=O)C1CCN(c2cnccn2)CC1 ZINC000190774914 884120710 /nfs/dbraw/zinc/12/07/10/884120710.db2.gz WVWHFTONXISXBW-UHFFFAOYSA-N 0 0 381.263 3.647 10 0 GHAERN O=C(NCc1cnn(-c2ccccc2)c1)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000105099723 884165651 /nfs/dbraw/zinc/16/56/51/884165651.db2.gz ZWDFULDIHYJMOM-HSZRJFAPSA-N 0 0 397.482 3.989 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000191783690 884210291 /nfs/dbraw/zinc/21/02/91/884210291.db2.gz XPTHWSCCULZMCG-UHFFFAOYSA-N 0 0 395.385 3.612 10 0 GHAERN Cc1nc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192507257 884278021 /nfs/dbraw/zinc/27/80/21/884278021.db2.gz IPMQXZMALGHWPQ-UHFFFAOYSA-N 0 0 375.831 3.673 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3csc(C(F)(F)F)n3)C2)c1 ZINC000193474571 884517585 /nfs/dbraw/zinc/51/75/85/884517585.db2.gz QTHCVHWKVFVVRC-JTQLQIEISA-N 0 0 386.395 3.809 10 0 GHAERN Cc1oc(-c2cccs2)nc1C[S@@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105681079 884828593 /nfs/dbraw/zinc/82/85/93/884828593.db2.gz RBALHJXSMRRXRE-VWLOTQADSA-N 0 0 375.431 3.803 10 0 GHAERN CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000104356216 885389986 /nfs/dbraw/zinc/38/99/86/885389986.db2.gz CJOFLCMELNKYDM-SFHVURJKSA-N 0 0 388.920 3.983 10 0 GHAERN COc1ccc(C2(NC(=O)c3ccc(-n4cnnn4)cc3Cl)CCCC2)cc1 ZINC000104364638 885392932 /nfs/dbraw/zinc/39/29/32/885392932.db2.gz OISGBYFUEOOHJC-UHFFFAOYSA-N 0 0 397.866 3.524 10 0 GHAERN COc1ccc([C@@H](CC(=O)N[C@@H](c2ccccc2)C2CCC2)NC(C)=O)cc1 ZINC000104420245 885425961 /nfs/dbraw/zinc/42/59/61/885425961.db2.gz IBDAPMGTRKBGON-GGAORHGYSA-N 0 0 380.488 3.920 10 0 GHAERN CCc1c(C(=O)N(C)CCc2ccccc2OC)cnn1Cc1ccccc1 ZINC000104459483 885455342 /nfs/dbraw/zinc/45/53/42/885455342.db2.gz IGIXSAAMCHANOX-UHFFFAOYSA-N 0 0 377.488 3.817 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ncon4)c3)C2)cc1 ZINC000101525330 885943825 /nfs/dbraw/zinc/94/38/25/885943825.db2.gz QMNDXUAMPGEXDG-GOSISDBHSA-N 0 0 390.443 3.536 10 0 GHAERN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561408 885945871 /nfs/dbraw/zinc/94/58/71/885945871.db2.gz WDRLSGMRROUEJS-ZDUSSCGKSA-N 0 0 376.863 3.778 10 0 GHAERN CC1(C)CCCN1C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000102919557 885980523 /nfs/dbraw/zinc/98/05/23/885980523.db2.gz KYSYGIUVOUYBBA-UHFFFAOYSA-N 0 0 393.325 3.702 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCc2ccc(C(F)(F)F)cc2)c2ccccc2)[nH]1 ZINC000105095839 886011291 /nfs/dbraw/zinc/01/12/91/886011291.db2.gz GRAXDZPUCIAZKR-INIZCTEOSA-N 0 0 389.381 3.721 10 0 GHAERN Cc1ccccc1Oc1ccccc1CNC(=O)N1CCC(n2cncn2)CC1 ZINC000106567068 886034544 /nfs/dbraw/zinc/03/45/44/886034544.db2.gz CQEVMGDWAIIEIR-UHFFFAOYSA-N 0 0 391.475 3.926 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000106784350 886039141 /nfs/dbraw/zinc/03/91/41/886039141.db2.gz LEDRWPIWWFWSCF-PCUGXKRQSA-N 0 0 390.487 3.952 10 0 GHAERN CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 ZINC000028193012 886090924 /nfs/dbraw/zinc/09/09/24/886090924.db2.gz PNZWZQJAVMFNDT-MRXNPFEDSA-N 0 0 382.460 3.566 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N2CCO[C@@H](c3nccs3)C2)cc1OC ZINC000110876801 886212928 /nfs/dbraw/zinc/21/29/28/886212928.db2.gz YPPBCIHHRNAAOI-SUQGKYDKSA-N 0 0 388.489 3.554 10 0 GHAERN O=C(NCc1cccc(CN2CCCC2=O)c1)N1CC=C(c2ccccc2)CC1 ZINC000031189556 886284261 /nfs/dbraw/zinc/28/42/61/886284261.db2.gz BFVVYOLNRKCWBR-UHFFFAOYSA-N 0 0 389.499 3.808 10 0 GHAERN Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217350 886286396 /nfs/dbraw/zinc/28/63/96/886286396.db2.gz OUXVFOPRYPQHAH-GOSISDBHSA-N 0 0 377.492 3.755 10 0 GHAERN O=C(NCCc1cccnc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113587574 886296074 /nfs/dbraw/zinc/29/60/74/886296074.db2.gz QYZSLLDAQANSSF-LJQANCHMSA-N 0 0 375.476 3.603 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(F)c1 ZINC000114820679 886328119 /nfs/dbraw/zinc/32/81/19/886328119.db2.gz QKAHKVCBUOHRFY-NVXWUHKLSA-N 0 0 399.495 3.694 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000105150376 886397867 /nfs/dbraw/zinc/39/78/67/886397867.db2.gz SGFGXZNOSDNTKJ-QGZVFWFLSA-N 0 0 386.565 3.554 10 0 GHAERN CC[C@@H](C)N(Cc1ccccc1)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000119341080 886452008 /nfs/dbraw/zinc/45/20/08/886452008.db2.gz DLSXLXQCRZDSHJ-OAHLLOKOSA-N 0 0 378.432 3.502 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)n1 ZINC000119390516 886455336 /nfs/dbraw/zinc/45/53/36/886455336.db2.gz BYAAUDJGQIJDGU-AWEZNQCLSA-N 0 0 394.441 3.872 10 0 GHAERN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000120783460 886532415 /nfs/dbraw/zinc/53/24/15/886532415.db2.gz ZZHUYKYAFPCEPI-KBXCAEBGSA-N 0 0 391.512 3.667 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)NC[C@H]2CCCn3cc(C)nc32)c(OC)c1 ZINC000332687108 886539649 /nfs/dbraw/zinc/53/96/49/886539649.db2.gz OIUQGDNXAJNWIP-VQIMIIECSA-N 0 0 398.507 3.633 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@H](Oc3ccccc3Cl)C1)CCC2 ZINC000332692870 886540180 /nfs/dbraw/zinc/54/01/80/886540180.db2.gz VECFKYFLWFRVIJ-CVEARBPZSA-N 0 0 388.899 3.585 10 0 GHAERN CN(C)C(=O)COc1cccc(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000122006823 886574281 /nfs/dbraw/zinc/57/42/81/886574281.db2.gz IBBRVVOFZXCTOV-UHFFFAOYSA-N 0 0 397.450 3.614 10 0 GHAERN O=C(NCc1ccc(Sc2ccccc2)cc1)N1CCC(n2cncn2)CC1 ZINC000125232448 886842268 /nfs/dbraw/zinc/84/22/68/886842268.db2.gz PTUDZWDICUEBFE-UHFFFAOYSA-N 0 0 393.516 3.976 10 0 GHAERN Cc1c2ccccc2oc1[C@@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046649682 887216192 /nfs/dbraw/zinc/21/61/92/887216192.db2.gz LQCSMZOHAOKUNJ-CQSZACIVSA-N 0 0 376.416 3.996 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000129650613 887332921 /nfs/dbraw/zinc/33/29/21/887332921.db2.gz NWAUGADCFNKOKZ-WSMGMJLXSA-N 0 0 392.421 3.721 10 0 GHAERN O=C(Cn1c2ccccc2nc1C1CCCCC1)N1CCC(n2cncn2)CC1 ZINC000129691261 887336538 /nfs/dbraw/zinc/33/65/38/887336538.db2.gz NOUPFMVSJAKIBB-UHFFFAOYSA-N 0 0 392.507 3.539 10 0 GHAERN O=C(NCc1ccc(Cl)cc1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000047578888 887341145 /nfs/dbraw/zinc/34/11/45/887341145.db2.gz LVCLXRHXHGZMCG-UHFFFAOYSA-N 0 0 377.916 3.711 10 0 GHAERN O=C(Nc1ccccc1-n1cccn1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000048149053 887413333 /nfs/dbraw/zinc/41/33/33/887413333.db2.gz PSSXKAMVEPSLJZ-UHFFFAOYSA-N 0 0 395.507 3.519 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000131441963 887543342 /nfs/dbraw/zinc/54/33/42/887543342.db2.gz SKISJZBHXLUKFH-RTBURBONSA-N 0 0 398.528 3.637 10 0 GHAERN CCS[C@H](C)c1noc(C[S@@](=O)[C@@H](C)c2nc(-c3ccccc3)no2)n1 ZINC000133493770 887769676 /nfs/dbraw/zinc/76/96/76/887769676.db2.gz KPCOPKBSPQDJFK-VCQIMIBNSA-N 0 0 392.506 3.944 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)NCc3csc(-c4ccco4)n3)CC2)n1 ZINC000133527379 887773679 /nfs/dbraw/zinc/77/36/79/887773679.db2.gz BQNPVQRVEVFENZ-UHFFFAOYSA-N 0 0 397.504 3.575 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000134298780 887850471 /nfs/dbraw/zinc/85/04/71/887850471.db2.gz CIWWHRGHFHTTAI-LEWJYISDSA-N 0 0 375.472 3.673 10 0 GHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000134338572 887860701 /nfs/dbraw/zinc/86/07/01/887860701.db2.gz AOKSUUFQXUDCNA-OPYAIIAOSA-N 0 0 398.551 3.771 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134383675 887865805 /nfs/dbraw/zinc/86/58/05/887865805.db2.gz VAQZRSDWABMYEE-GUYCJALGSA-N 0 0 387.480 3.668 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3nn(CC(C)C)cc3C(F)F)CC2)nc1 ZINC000135180413 887949949 /nfs/dbraw/zinc/94/99/49/887949949.db2.gz IDGSYKMYGLGMIG-UHFFFAOYSA-N 0 0 391.466 3.579 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000054551983 888015378 /nfs/dbraw/zinc/01/53/78/888015378.db2.gz SXGNRYBTSZWSJE-IBGZPJMESA-N 0 0 394.519 3.894 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CCc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057798772 888413655 /nfs/dbraw/zinc/41/36/55/888413655.db2.gz SYDCMPQRACPJER-IBGZPJMESA-N 0 0 377.473 3.561 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000194318668 888576038 /nfs/dbraw/zinc/57/60/38/888576038.db2.gz RUDONUBCEDTUFV-SJLPKXTDSA-N 0 0 387.524 3.655 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000194659259 888604406 /nfs/dbraw/zinc/60/44/06/888604406.db2.gz WKMVUNPHOQSJEL-IRXDYDNUSA-N 0 0 386.377 3.706 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N(C)Cc1cc2ccccc2o1 ZINC000245438661 888752373 /nfs/dbraw/zinc/75/23/73/888752373.db2.gz YJMITQKPJKBUNY-DYESRHJHSA-N 0 0 392.503 3.880 10 0 GHAERN C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245650771 889165376 /nfs/dbraw/zinc/16/53/76/889165376.db2.gz CFSODTGEVZVFKG-MGPUTAFESA-N 0 0 376.859 3.536 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245672346 889200377 /nfs/dbraw/zinc/20/03/77/889200377.db2.gz DVQZDVCKGQBEPX-YLJYHZDGSA-N 0 0 399.539 3.634 10 0 GHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245689078 889230096 /nfs/dbraw/zinc/23/00/96/889230096.db2.gz OVXGUBSETPXIPW-FRQCXROJSA-N 0 0 386.496 3.575 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000245794622 889740224 /nfs/dbraw/zinc/74/02/24/889740224.db2.gz JERILTHRGBRSFL-CSMYWGQOSA-N 0 0 377.872 3.768 10 0 GHAERN CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1cccc(Cl)c1 ZINC000245916087 890008850 /nfs/dbraw/zinc/00/88/50/890008850.db2.gz FLTDNBZWQXJEEP-NZSAHSFTSA-N 0 0 389.927 3.785 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000246195198 890651422 /nfs/dbraw/zinc/65/14/22/890651422.db2.gz MUMCEYHDGHXTAY-RBSFLKMASA-N 0 0 379.526 3.543 10 0 GHAERN Cc1ccc([C@H]2CN([C@H](C)C(=O)Nc3ccccc3OC(F)F)CCO2)o1 ZINC000246250708 890840404 /nfs/dbraw/zinc/84/04/04/890840404.db2.gz GSGMBGRTLVVYLO-CXAGYDPISA-N 0 0 380.391 3.590 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1C ZINC000246250953 890841642 /nfs/dbraw/zinc/84/16/42/890841642.db2.gz YHYWXOGVHMJUFV-DFQSSKMNSA-N 0 0 388.508 3.627 10 0 GHAERN COc1ccc([C@H](C)CC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246334300 891030783 /nfs/dbraw/zinc/03/07/83/891030783.db2.gz KUBDCAQRAHKUJS-KGVIQGDOSA-N 0 0 381.520 3.611 10 0 GHAERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)s1 ZINC000246570368 891286820 /nfs/dbraw/zinc/28/68/20/891286820.db2.gz YKZUBAVXBBVEBN-IAOVAPTHSA-N 0 0 377.485 3.949 10 0 GHAERN COc1cccc(-c2nc(CN3CCS[C@H]4COCC[C@H]43)cs2)c1OC ZINC000246887356 891320186 /nfs/dbraw/zinc/32/01/86/891320186.db2.gz LYYXXAOPHNWJMX-WBVHZDCISA-N 0 0 392.546 3.534 10 0 GHAERN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247217271 891355805 /nfs/dbraw/zinc/35/58/05/891355805.db2.gz XKSNVSYRXZTCGV-CVEARBPZSA-N 0 0 398.469 3.596 10 0 GHAERN Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c1C(F)(F)F ZINC000247451920 891377386 /nfs/dbraw/zinc/37/73/86/891377386.db2.gz OYKVNURZNLDQFV-YSVLISHTSA-N 0 0 393.409 3.887 10 0 GHAERN COc1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1OCC(F)(F)F ZINC000247644498 891389766 /nfs/dbraw/zinc/38/97/66/891389766.db2.gz VZEXBTPSPDMRAQ-BFHYXJOUSA-N 0 0 388.386 3.715 10 0 GHAERN C[C@@H]1CN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)[C@H]2CCCC[C@@H]12 ZINC000248419465 891434366 /nfs/dbraw/zinc/43/43/66/891434366.db2.gz LAZOKJRNOGJZFM-SYNHAJSKSA-N 0 0 387.499 3.650 10 0 GHAERN CC(C)(C)N1CC[C@@H](NC(=O)C2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248424873 891434568 /nfs/dbraw/zinc/43/45/68/891434568.db2.gz NQSXRQIWCDMQNM-QZTJIDSGSA-N 0 0 382.907 3.936 10 0 GHAERN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000248421282 891434697 /nfs/dbraw/zinc/43/46/97/891434697.db2.gz AFUZUAMDRJRIPV-AZOIQLNYSA-N 0 0 381.925 3.720 10 0 GHAERN COCc1noc([C@@H](C)N2CCC[C@@H]2c2c(C)nn(CC(C)C)c2Cl)n1 ZINC000248478933 891439962 /nfs/dbraw/zinc/43/99/62/891439962.db2.gz ZOHGQPLQLXSNOV-ZIAGYGMSSA-N 0 0 381.908 3.928 10 0 GHAERN Cc1cnc([C@H](C)CNC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)s1 ZINC000248625960 891446621 /nfs/dbraw/zinc/44/66/21/891446621.db2.gz OBQKXTJLYGTZCO-VHDGCEQUSA-N 0 0 379.551 3.914 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)c2ccc(F)cc2C1 ZINC000248723583 891461180 /nfs/dbraw/zinc/46/11/80/891461180.db2.gz MMLIYENBLTVRNM-ITHTXLDVSA-N 0 0 375.488 3.743 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c2ccc(F)cc2C1 ZINC000248777363 891468236 /nfs/dbraw/zinc/46/82/36/891468236.db2.gz ZFUCYUMXVTUSAY-GNBIQWSPSA-N 0 0 387.499 3.982 10 0 GHAERN CCCOc1ccc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1OCC ZINC000248809909 891471919 /nfs/dbraw/zinc/47/19/19/891471919.db2.gz BVUWREJZXFCVRX-SJORKVTESA-N 0 0 375.469 3.528 10 0 GHAERN C[C@@H]1CN(Cc2ccccc2NC(=O)[C@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000248890810 891479486 /nfs/dbraw/zinc/47/94/86/891479486.db2.gz WFGIFSTXXFHYRZ-HLIPFELVSA-N 0 0 379.504 3.749 10 0 GHAERN Cc1c(-c2cc(CN3C[C@H](c4cccc(Cl)c4)OC[C@H]3C)on2)cnn1C ZINC000249426194 891506324 /nfs/dbraw/zinc/50/63/24/891506324.db2.gz YDIKWQAIVLCRHH-ZUOKHONESA-N 0 0 386.883 3.999 10 0 GHAERN Cc1c(-c2cc(CN3C[C@@H](c4cccc(Cl)c4)OC[C@H]3C)on2)cnn1C ZINC000249426192 891506511 /nfs/dbraw/zinc/50/65/11/891506511.db2.gz YDIKWQAIVLCRHH-XCLFUZPHSA-N 0 0 386.883 3.999 10 0 GHAERN CC(C)c1ccccc1OC[C@@H](O)CSc1nnc(-c2cccnc2)n1C ZINC000102635200 898018843 /nfs/dbraw/zinc/01/88/43/898018843.db2.gz DDAWLBBZTHRIAB-MRXNPFEDSA-N 0 0 384.505 3.533 10 0 GHAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCc1nc(C(C)(C)C)cs1 ZINC000104808436 898167368 /nfs/dbraw/zinc/16/73/68/898167368.db2.gz KEEWRZIHHGWCGV-UHFFFAOYSA-N 0 0 383.521 3.968 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCOC3(CCSCC3)C2)C12CCCC2 ZINC000333093376 899954083 /nfs/dbraw/zinc/95/40/83/899954083.db2.gz ZZUPJRPKCZPBBQ-RCCFBDPRSA-N 0 0 396.597 3.810 10 0 GHAERN CC(C)[C@H]1N(C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)CC12CCOCC2 ZINC000333586287 902207482 /nfs/dbraw/zinc/20/74/82/902207482.db2.gz AHUKTRCSPHJKOF-MISYRCLQSA-N 0 0 389.540 3.595 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000282774513 904309070 /nfs/dbraw/zinc/30/90/70/904309070.db2.gz MDGITNFEZDRHQR-JJXSEGSLSA-N 0 0 382.430 3.871 10 0 GHAERN CC(C)c1nc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)nn1-c1ccccc1Cl ZINC000181391593 906989003 /nfs/dbraw/zinc/98/90/03/906989003.db2.gz XJUYBRDMOHVPJF-HNNXBMFYSA-N 0 0 399.886 3.530 10 0 GHAERN COc1ccccc1O[C@@H](C)CNC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000186935245 908008779 /nfs/dbraw/zinc/00/87/79/908008779.db2.gz REIJFUXFMSAKRG-BBRMVZONSA-N 0 0 375.494 3.774 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)cs1 ZINC000189041122 908274883 /nfs/dbraw/zinc/27/48/83/908274883.db2.gz MKHDYWRIMAAQAZ-KRWDZBQOSA-N 0 0 385.493 3.740 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000189386180 908314136 /nfs/dbraw/zinc/31/41/36/908314136.db2.gz VADGHXMOOTZGNB-RBUKOAKNSA-N 0 0 399.495 3.608 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C1 ZINC000190018848 908405121 /nfs/dbraw/zinc/40/51/21/908405121.db2.gz SEFJYAQHVAJWRF-LIRRHRJNSA-N 0 0 396.422 3.545 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CSc2ccc(C(C)(C)C)cc2)C1 ZINC000190036774 908409885 /nfs/dbraw/zinc/40/98/85/908409885.db2.gz SOMBANGESPYGPU-RDJZCZTQSA-N 0 0 389.521 3.756 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000190039144 908410327 /nfs/dbraw/zinc/41/03/27/908410327.db2.gz XFAHODIHKIWVSW-PMACEKPBSA-N 0 0 377.444 3.576 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000190113949 908429891 /nfs/dbraw/zinc/42/98/91/908429891.db2.gz VADGHXMOOTZGNB-RTBURBONSA-N 0 0 399.495 3.608 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)CCO2)n1 ZINC000194085108 908914318 /nfs/dbraw/zinc/91/43/18/908914318.db2.gz YRIYNBZRTZXFLU-HZPDHXFCSA-N 0 0 377.897 3.875 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cnc3ccc(F)cc3c1)CCCC2 ZINC000284564020 911928767 /nfs/dbraw/zinc/92/87/67/911928767.db2.gz IRTDXXKGYNTMFH-FQEVSTJZSA-N 0 0 378.451 3.964 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)[C@H]1CCCc3c(O)cccc31)CCCC2 ZINC000284653995 911969263 /nfs/dbraw/zinc/96/92/63/911969263.db2.gz PQOIUZOGACWFIU-PXNSSMCTSA-N 0 0 379.504 3.788 10 0 GHAERN O=C(c1cccn2c(=O)[nH]nc12)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 ZINC000365140931 920426788 /nfs/dbraw/zinc/42/67/88/920426788.db2.gz XPHWGHKVKSVKDT-SJORKVTESA-N 0 0 376.460 3.550 10 0 GHAERN Cn1cc([C@H]2[C@H](CNC(=O)C3CCCCCCC3)CC(=O)N2C(C)(C)C)cn1 ZINC000370111243 923879050 /nfs/dbraw/zinc/87/90/50/923879050.db2.gz JWPITRIOGRYLPC-FXAWDEMLSA-N 0 0 388.556 3.585 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@H]2c2ccco2)c2ccc(F)cc2C1 ZINC000184029721 1014571410 /nfs/dbraw/zinc/57/14/10/1014571410.db2.gz AZHUVLKDFRNLFA-MOPGFXCFSA-N 0 0 385.439 3.759 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2nc(C3CC3)cs2)c2ccc(F)cc2C1 ZINC000185531935 1014585282 /nfs/dbraw/zinc/58/52/82/1014585282.db2.gz XVDDKKYWPHZHRF-INIZCTEOSA-N 0 0 388.468 3.775 10 0 GHAERN COc1cccc(-c2csc(N3CCN(C(=O)c4ccccc4F)CC3)n2)c1 ZINC000001349747 212237732 /nfs/dbraw/zinc/23/77/32/212237732.db2.gz WPZHGGVKXIYCNE-UHFFFAOYSA-N 0 0 397.475 3.920 10 0 GHAERN COC1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1 ZINC000000597477 212142692 /nfs/dbraw/zinc/14/26/92/212142692.db2.gz SLZBEPLWGGRZAY-UHFFFAOYSA-N 0 0 397.446 3.909 10 0 GHAERN Cc1nnc(Sc2cc(C(=O)NCc3ccccn3)c3ccccc3n2)s1 ZINC000003027171 220598153 /nfs/dbraw/zinc/59/81/53/220598153.db2.gz WSAPTMCTCKDBCH-UHFFFAOYSA-N 0 0 393.497 3.871 10 0 GHAERN CC(C)S(=O)(=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1 ZINC000012217849 221168974 /nfs/dbraw/zinc/16/89/74/221168974.db2.gz PEIYVXZBBLJGCO-UHFFFAOYSA-N 0 0 398.532 3.502 10 0 GHAERN CCCn1c2ccccc2nc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC000014626066 221313005 /nfs/dbraw/zinc/31/30/05/221313005.db2.gz FNVXMFARDNKRHR-UHFFFAOYSA-N 0 0 389.459 3.989 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1c1ccc(OC)cc1 ZINC000015920636 221352845 /nfs/dbraw/zinc/35/28/45/221352845.db2.gz DKQRIFCBFDWQMC-JOCHJYFZSA-N 0 0 391.471 3.975 10 0 GHAERN Cc1ccccc1N1C(=O)CN(Cc2coc3ccc(Cl)cc3c2=O)C[C@H]1C ZINC000064015621 136156664 /nfs/dbraw/zinc/15/66/64/136156664.db2.gz CMGQJHHNQZAEOJ-OAHLLOKOSA-N 0 0 396.874 3.992 10 0 GHAERN CC[C@H](C)NC(=O)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227884 136160508 /nfs/dbraw/zinc/16/05/08/136160508.db2.gz XNUCWVACGYIADM-HOCLYGCPSA-N 0 0 383.496 3.530 10 0 GHAERN Cc1cccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)C[C@H]2C)c1 ZINC000013809675 136201550 /nfs/dbraw/zinc/20/15/50/136201550.db2.gz PJEVCNLIJCPGMO-QGZVFWFLSA-N 0 0 376.508 3.576 10 0 GHAERN Cc1cccc(N2CCN(C(=O)[C@H](C)n3sc4ccccc4c3=O)C[C@H]2C)c1 ZINC000020467311 136202620 /nfs/dbraw/zinc/20/26/20/136202620.db2.gz XJQFOHYUOWFIDX-SJORKVTESA-N 0 0 395.528 3.670 10 0 GHAERN COc1cccc([C@@H](C)NC(=O)c2c(C)noc2-c2ccc3c(c2)OCO3)c1 ZINC000023317051 221592378 /nfs/dbraw/zinc/59/23/78/221592378.db2.gz QKVDWNHKFNCMCQ-GFCCVEGCSA-N 0 0 380.400 3.878 10 0 GHAERN Cc1ccc(-c2nc3s/c(=C/c4ccc(C(C)(C)C)cc4)c(=O)n3n2)cc1 ZINC000034956147 221811697 /nfs/dbraw/zinc/81/16/97/221811697.db2.gz CWHPFILATKPCNW-QGOAFFKASA-N 0 0 375.497 3.972 10 0 GHAERN CC(C)C(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCCc1ccccc1)CO2 ZINC000065082184 222099287 /nfs/dbraw/zinc/09/92/87/222099287.db2.gz AKCFVSOLDZGTRN-LJQANCHMSA-N 0 0 380.488 3.581 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1)c1cccs1 ZINC000065203119 222110285 /nfs/dbraw/zinc/11/02/85/222110285.db2.gz NRLTZWXVUOUHKH-INIZCTEOSA-N 0 0 382.489 3.835 10 0 GHAERN COc1cc([C@@H]2CC(c3ccc(Br)cc3)=NN2)cc(OC)c1OC ZINC000064379360 222071077 /nfs/dbraw/zinc/07/10/77/222071077.db2.gz GIYZIGUWIAYXMS-HNNXBMFYSA-N 0 0 391.265 3.914 10 0 GHAERN CC(C)CCn1c2nn(Cc3cccc(Cl)c3)c(=O)n2c2ccccc2c1=O ZINC000064860457 222085728 /nfs/dbraw/zinc/08/57/28/222085728.db2.gz DCTATACLBNWCMQ-UHFFFAOYSA-N 0 0 396.878 3.559 10 0 GHAERN COc1cccc(-c2cn3c(C(=O)NCc4ccncc4C)csc3n2)c1 ZINC000067758859 222157556 /nfs/dbraw/zinc/15/75/56/222157556.db2.gz HWVJGOOGLGUIPM-UHFFFAOYSA-N 0 0 378.457 3.705 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@@H](CNc2nc3ccccc3nc2NC2CC2)C1 ZINC000095083910 222329558 /nfs/dbraw/zinc/32/95/58/222329558.db2.gz SUSBEGPGTWRNOS-AWEZNQCLSA-N 0 0 383.496 3.873 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2ccccc2nc1NC1CC1 ZINC000095085885 222330031 /nfs/dbraw/zinc/33/00/31/222330031.db2.gz XZDWPPLYYAUOAR-OAHLLOKOSA-N 0 0 384.480 3.982 10 0 GHAERN CC(C)(C)OC(=O)NC[C@H]1CCCN(Cc2cnc(Cl)nc2Cl)C1 ZINC000095087603 222330915 /nfs/dbraw/zinc/33/09/15/222330915.db2.gz LJXMLDLWRISVQZ-LLVKDONJSA-N 0 0 375.300 3.520 10 0 GHAERN COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3CCc2ccccc2)cc1 ZINC000006781248 570284110 /nfs/dbraw/zinc/28/41/10/570284110.db2.gz BETMOSRNZYDFBH-UHFFFAOYSA-N 0 0 396.450 3.963 10 0 GHAERN Cc1cccc(-n2nc(C(=O)NCc3ccncc3)nc2CCc2ccccc2)c1 ZINC000034911748 570341132 /nfs/dbraw/zinc/34/11/32/570341132.db2.gz MMVOIXGSIUQWOV-UHFFFAOYSA-N 0 0 397.482 3.686 10 0 GHAERN O=C(c1noc2c1CCCC2)N1CCc2[nH]nc(-c3ccccc3Cl)c2C1 ZINC000023541054 570364617 /nfs/dbraw/zinc/36/46/17/570364617.db2.gz KCYCTKYAFJJAGF-UHFFFAOYSA-N 0 0 382.851 3.795 10 0 GHAERN O=C(OCc1ccccc1)[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000035315342 570551585 /nfs/dbraw/zinc/55/15/85/570551585.db2.gz IZGCKWHDNJEEAX-HSZRJFAPSA-N 0 0 375.468 3.793 10 0 in-vitro GHAERN C[C@H]1Cc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2N1C(=O)C1CC1 ZINC000006866531 570655481 /nfs/dbraw/zinc/65/54/81/570655481.db2.gz PMMUXRIYWFYMQJ-HNNXBMFYSA-N 0 0 396.512 3.516 10 0 GHAERN Cc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)NC(C)C)C4)sc3n2)cc1 ZINC000006876818 570667100 /nfs/dbraw/zinc/66/71/00/570667100.db2.gz LDNOJULYZIMGCZ-MRXNPFEDSA-N 0 0 383.521 3.507 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1ccnc(C3CC3)n1)CC2 ZINC000275820883 570700089 /nfs/dbraw/zinc/70/00/89/570700089.db2.gz UTYVNBUUHVCHTD-GOSISDBHSA-N 0 0 382.533 3.823 10 0 GHAERN CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(CC3CCCC3)cc(=O)[nH]2)c1 ZINC000082039392 570787162 /nfs/dbraw/zinc/78/71/62/570787162.db2.gz BPIGRUHIVUEOQB-UHFFFAOYSA-N 0 0 377.492 3.525 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1cccc(C(F)(F)F)c1)C2)c1cccs1 ZINC000097111614 570897092 /nfs/dbraw/zinc/89/70/92/570897092.db2.gz HVNXAHZOLQFRCW-BYCMXARLSA-N 0 0 394.418 3.800 10 0 GHAERN COc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1F ZINC000104290301 837395188 /nfs/dbraw/zinc/39/51/88/837395188.db2.gz YQKPAVNYXSSNGN-MRXNPFEDSA-N 0 0 375.375 3.608 10 0 GHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000286204407 834343478 /nfs/dbraw/zinc/34/34/78/834343478.db2.gz JJAYGVCGFCXEMC-AQNXPRMDSA-N 0 0 379.456 3.896 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(OC(F)(F)Cl)cc1 ZINC000588608987 834698932 /nfs/dbraw/zinc/69/89/32/834698932.db2.gz PUJOYXQJFLJKFJ-PLNGDYQASA-N 0 0 390.814 3.665 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066984312 834731706 /nfs/dbraw/zinc/73/17/06/834731706.db2.gz SJHSQRIZIRMYBU-JKSUJKDBSA-N 0 0 389.462 3.542 10 0 GHAERN COc1ccc(OC(F)F)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000157065614 834733524 /nfs/dbraw/zinc/73/35/24/834733524.db2.gz ADVILIXAQFERMW-UHFFFAOYSA-N 0 0 394.422 3.517 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329285763 834750972 /nfs/dbraw/zinc/75/09/72/834750972.db2.gz OLJRLSFHRQNMAR-WBVHZDCISA-N 0 0 391.581 3.839 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CCC(n2cncn2)CC1 ZINC000157660390 835025304 /nfs/dbraw/zinc/02/53/04/835025304.db2.gz LQJCEZFHVWFOOX-KRWDZBQOSA-N 0 0 382.512 3.834 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N1CCC[C@H]1c1csc(C)n1 ZINC000187116778 835083446 /nfs/dbraw/zinc/08/34/46/835083446.db2.gz IOAHYTFIVGCXEK-VQTJNVASSA-N 0 0 383.517 3.651 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000246894851 835125584 /nfs/dbraw/zinc/12/55/84/835125584.db2.gz VJFIMDTVTWNJKH-DWQUBVKVSA-N 0 0 382.913 3.518 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000157864853 835130395 /nfs/dbraw/zinc/13/03/95/835130395.db2.gz MMURNCLPTZPTCP-UHFFFAOYSA-N 0 0 377.410 3.737 10 0 GHAERN O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000329603651 835339959 /nfs/dbraw/zinc/33/99/59/835339959.db2.gz GMFJCMMIWCRKIA-PLMTUMEDSA-N 0 0 381.476 3.520 10 0 GHAERN COc1ccccc1-c1nnc(CN(C)Cc2cnn(-c3ccccc3)c2)o1 ZINC000158643465 835478805 /nfs/dbraw/zinc/47/88/05/835478805.db2.gz ZUXDTJCTDMDLPX-UHFFFAOYSA-N 0 0 375.432 3.563 10 0 GHAERN Clc1ccc(-c2cc(-c3nc([C@@H]4CN5CCCC[C@H]5CO4)no3)n[nH]2)cc1 ZINC000329748255 835860431 /nfs/dbraw/zinc/86/04/31/835860431.db2.gz ZWBBPDFUJPVLNL-YOEHRIQHSA-N 0 0 385.855 3.706 10 0 GHAERN O=C(Cc1cccc(OC(F)F)c1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000329932441 836106249 /nfs/dbraw/zinc/10/62/49/836106249.db2.gz AZZLXUDHBNVDKQ-INIZCTEOSA-N 0 0 390.434 3.512 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCCC2)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333175556 844131859 /nfs/dbraw/zinc/13/18/59/844131859.db2.gz OOJWMBRCMJLUCR-WAIKUNEKSA-N 0 0 397.494 3.657 10 0 GHAERN Cc1ccc(-c2nnn3c2[nH]c(=O)c2ccc(C(=O)NCCC(C)C)cc23)cc1 ZINC000021867264 836161809 /nfs/dbraw/zinc/16/18/09/836161809.db2.gz PRHMZXKOZKOJSS-UHFFFAOYSA-N 0 0 389.459 3.734 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1cccnc1OC1CCCC1)C2 ZINC000112742631 836279321 /nfs/dbraw/zinc/27/93/21/836279321.db2.gz GDVUYKXYHIXWNY-UHFFFAOYSA-N 0 0 397.523 3.528 10 0 GHAERN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000332811057 836673250 /nfs/dbraw/zinc/67/32/50/836673250.db2.gz LHJWIAWGLKBARQ-PNYFIKQUSA-N 0 0 389.588 3.659 10 0 GHAERN CC(C)c1nnc([C@@H]2CN(C(=O)c3cc4c(s3)CC[C@H](C)C4)CCO2)o1 ZINC000275381429 836957267 /nfs/dbraw/zinc/95/72/67/836957267.db2.gz OURYPDHTPQBZPK-JSGCOSHPSA-N 0 0 375.494 3.593 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3c3ccccc3Cl)C2)nn1 ZINC000332905568 836968176 /nfs/dbraw/zinc/96/81/76/836968176.db2.gz VISDGLRFEVQQRF-VQIMIIECSA-N 0 0 399.926 3.954 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)C[C@H](C)O1 ZINC000332920684 836986882 /nfs/dbraw/zinc/98/68/82/836986882.db2.gz GAVLCJTXZCFWJY-JHXTVGTDSA-N 0 0 394.924 3.589 10 0 GHAERN O=C(c1cccc(Br)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987299 837356888 /nfs/dbraw/zinc/35/68/88/837356888.db2.gz ZZTIERPUXRQHEN-UHFFFAOYSA-N 0 0 393.325 3.704 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCCC2)OC(C)(C)C1 ZINC000408049382 837930349 /nfs/dbraw/zinc/93/03/49/837930349.db2.gz YWVCONDIBCJQSE-IEBWSBKVSA-N 0 0 389.540 3.882 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(C)c(Br)cc2C)[nH]1 ZINC000407981910 838387059 /nfs/dbraw/zinc/38/70/59/838387059.db2.gz VZJMSXXTERVXNK-HNNXBMFYSA-N 0 0 377.286 3.860 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)c3c2CCC3)cc1 ZINC000113892992 838431359 /nfs/dbraw/zinc/43/13/59/838431359.db2.gz NNVQSGBTVKCMQC-IBGZPJMESA-N 0 0 375.476 3.760 10 0 GHAERN COC[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(F)c(F)c1 ZINC000179948314 838477120 /nfs/dbraw/zinc/47/71/20/838477120.db2.gz PDHWMIXXQCBBBJ-XJKSGUPXSA-N 0 0 381.448 3.698 10 0 GHAERN CC[C@H](c1nnc(NC(=O)N2CCC(n3cncn3)CC2)s1)c1ccccc1 ZINC000106952737 838659608 /nfs/dbraw/zinc/65/96/08/838659608.db2.gz CPVMEJPYZZNKID-INIZCTEOSA-N 0 0 397.508 3.541 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(F)cc1F ZINC000181981305 838680538 /nfs/dbraw/zinc/68/05/38/838680538.db2.gz OOHFAPFNXWUGHR-GOSISDBHSA-N 0 0 382.451 3.501 10 0 GHAERN O=C(c1[nH]c2ccc(F)cc2c1Cl)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408039731 839225084 /nfs/dbraw/zinc/22/50/84/839225084.db2.gz XVIREBLWCFMNLR-BZNIZROVSA-N 0 0 389.858 3.576 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000106368799 840928816 /nfs/dbraw/zinc/92/88/16/840928816.db2.gz JHLQHIGMTUQUHB-CQSZACIVSA-N 0 0 388.320 3.870 10 0 GHAERN Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000332929798 841586009 /nfs/dbraw/zinc/58/60/09/841586009.db2.gz BKYVBRVYVLTJHI-MGHWNKPDSA-N 0 0 379.520 3.782 10 0 GHAERN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000408172961 841715475 /nfs/dbraw/zinc/71/54/75/841715475.db2.gz CPMCYFDHNCTHAQ-ZDUSSCGKSA-N 0 0 398.894 3.968 10 0 GHAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)n1 ZINC000329284112 861246829 /nfs/dbraw/zinc/24/68/29/861246829.db2.gz FZBTVSNQMBQUTL-IYWGDAJJSA-N 0 0 388.556 3.612 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccnc(N2CCCC2)n1 ZINC000329306833 861267543 /nfs/dbraw/zinc/26/75/43/861267543.db2.gz PIMUBOBJHUKMEB-GOSISDBHSA-N 0 0 378.476 3.643 10 0 GHAERN Cc1nn(C)c(C)c1CN1CCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000153201143 842272342 /nfs/dbraw/zinc/27/23/42/842272342.db2.gz TVPPWAWCFKDAGZ-ZHRRBRCNSA-N 0 0 395.551 3.503 10 0 GHAERN Cn1cc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2ccc(Cl)s2)n1 ZINC000408314799 842360872 /nfs/dbraw/zinc/36/08/72/842360872.db2.gz CPYMVABLSFILQU-XIKOKIGWSA-N 0 0 379.913 3.569 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1csc(-c2ccccc2F)n1 ZINC000588433832 842431276 /nfs/dbraw/zinc/43/12/76/842431276.db2.gz IZOCSORSZPZCRA-SREVYHEPSA-N 0 0 391.468 3.760 10 0 GHAERN Cc1cc(C(=O)CCC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(C)s1 ZINC000588434482 842496324 /nfs/dbraw/zinc/49/63/24/842496324.db2.gz LCMABPCMDBFOKW-SREVYHEPSA-N 0 0 380.510 3.525 10 0 GHAERN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)/C=C\c1ccncn1 ZINC000588435686 842552314 /nfs/dbraw/zinc/55/23/14/842552314.db2.gz ZPSCOAJSOKHXBO-FPLPWBNLSA-N 0 0 383.839 3.630 10 0 GHAERN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408349127 842690202 /nfs/dbraw/zinc/69/02/02/842690202.db2.gz GVPDLFWYKJAUHU-XOBRGWDASA-N 0 0 377.554 3.572 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1csc([C@H]3CCCO3)n1)CCCC2 ZINC000279202594 842704281 /nfs/dbraw/zinc/70/42/81/842704281.db2.gz MVZDENXTXIYNFL-DLBZAZTESA-N 0 0 386.521 3.584 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1occc1Br)CCCC2 ZINC000279224760 842726175 /nfs/dbraw/zinc/72/61/75/842726175.db2.gz PKSQKAQULRCPKE-CQSZACIVSA-N 0 0 378.270 3.632 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000408352730 842751538 /nfs/dbraw/zinc/75/15/38/842751538.db2.gz UIGKNXCLFSIWGE-AWEZNQCLSA-N 0 0 388.320 3.870 10 0 GHAERN C[C@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1nc(-c2ccccc2)cs1 ZINC000588443502 842764821 /nfs/dbraw/zinc/76/48/21/842764821.db2.gz SJIQAZAEYIMUPF-GJZGRUSLSA-N 0 0 395.532 3.689 10 0 GHAERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408208862 842817925 /nfs/dbraw/zinc/81/79/25/842817925.db2.gz YAGORFRAEGDBIM-WQCNXYOZSA-N 0 0 376.545 3.733 10 0 GHAERN O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)N1CCC2(C1)CCOCC2 ZINC000408367615 842897097 /nfs/dbraw/zinc/89/70/97/842897097.db2.gz WPWXPOQTPQLIGV-UHFFFAOYSA-N 0 0 396.278 3.609 10 0 GHAERN COc1cc(C(=O)N2CCC(Cc3nccn3C)CC2)ccc1OC1CCCC1 ZINC000162460748 843256982 /nfs/dbraw/zinc/25/69/82/843256982.db2.gz NZNLHSURCKBUGC-UHFFFAOYSA-N 0 0 397.519 3.845 10 0 GHAERN COc1cc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc(OC)c1OC ZINC000162529440 843263256 /nfs/dbraw/zinc/26/32/56/843263256.db2.gz UVEOEULPJFDAJV-BFUOFWGJSA-N 0 0 382.464 3.579 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000588453181 843311385 /nfs/dbraw/zinc/31/13/85/843311385.db2.gz HZFKJXIOSRCJQM-PLNGDYQASA-N 0 0 385.773 3.666 10 0 GHAERN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)/C=C\c2ncccc2C)cc1C ZINC000588452936 843319055 /nfs/dbraw/zinc/31/90/55/843319055.db2.gz RGEXGJHNPQJEME-QWUACUGRSA-N 0 0 381.501 3.560 10 0 GHAERN CC(C)Oc1ccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000112419490 843349626 /nfs/dbraw/zinc/34/96/26/843349626.db2.gz FJTTXZRPALZHTE-UHFFFAOYSA-N 0 0 387.505 3.915 10 0 GHAERN C[C@@H](CC1CC1)NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000112609583 843356343 /nfs/dbraw/zinc/35/63/43/843356343.db2.gz OJZXYGQCEHKHOH-ZDUSSCGKSA-N 0 0 393.325 3.606 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330307805 843641937 /nfs/dbraw/zinc/64/19/37/843641937.db2.gz LYQUEZMMIAFMNF-IFXJQAMLSA-N 0 0 388.464 3.641 10 0 GHAERN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC[C@H]2CCC[C@H]21 ZINC000330316473 843667959 /nfs/dbraw/zinc/66/79/59/843667959.db2.gz PYQQUPNDBUDGSH-TZMCWYRMSA-N 0 0 385.514 3.588 10 0 GHAERN O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408270127 843685807 /nfs/dbraw/zinc/68/58/07/843685807.db2.gz UUNKAQSGSAZMKF-NRFANRHFSA-N 0 0 383.879 3.508 10 0 GHAERN CCOc1cc(/C=C\C(=O)NCc2ncc(-c3ccccc3)cn2)ccc1O ZINC000588466646 843743049 /nfs/dbraw/zinc/74/30/49/843743049.db2.gz UIYYYDANGGIRJC-LUAWRHEFSA-N 0 0 375.428 3.578 10 0 GHAERN Cc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000125342593 843822548 /nfs/dbraw/zinc/82/25/48/843822548.db2.gz REWSEAVRBPVQCR-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN COC(=O)[C@H](NC(=O)/C=C\c1ccnc2ccccc12)c1ccc(F)c(C)c1 ZINC000588474998 844650915 /nfs/dbraw/zinc/65/09/15/844650915.db2.gz SVONFXPTGKFUHE-IZUALYBUSA-N 0 0 378.403 3.726 10 0 GHAERN O=C(c1noc2c1CCCCC2)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000408439168 844655046 /nfs/dbraw/zinc/65/50/46/844655046.db2.gz OOQCXCUKDFEDOC-LLVKDONJSA-N 0 0 382.386 3.705 10 0 GHAERN C[C@@H](NC(=O)NC[C@@H]1CCc2nccn2C1)c1c(Cl)ccc(F)c1Cl ZINC000332932673 844664080 /nfs/dbraw/zinc/66/40/80/844664080.db2.gz HWKYFSZCEUMUCX-MNOVXSKESA-N 0 0 385.270 3.952 10 0 GHAERN COC(=O)COc1ccc([C@@H](C)NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588479694 844877094 /nfs/dbraw/zinc/87/70/94/844877094.db2.gz PKXXXWPJZFQHEB-HMWXGYMHSA-N 0 0 390.439 3.677 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000246876079 844939479 /nfs/dbraw/zinc/93/94/79/844939479.db2.gz SVTGMCIWISDCTC-MJBXVCDLSA-N 0 0 380.370 3.561 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000150984126 845092293 /nfs/dbraw/zinc/09/22/93/845092293.db2.gz RXNJHKDWXHBAGN-RTBURBONSA-N 0 0 399.491 3.882 10 0 GHAERN O=C(Nc1cccc(Cl)c1Cl)N1CCC(c2ccnn2CCO)CC1 ZINC000151350107 845192062 /nfs/dbraw/zinc/19/20/62/845192062.db2.gz HUFKBNBOMFDRQU-UHFFFAOYSA-N 0 0 383.279 3.594 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1Br ZINC000151457825 845196993 /nfs/dbraw/zinc/19/69/93/845196993.db2.gz YRQOYQKVTPQEES-AWEZNQCLSA-N 0 0 392.301 3.872 10 0 GHAERN O=C(COc1ccccc1O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000151692513 845506893 /nfs/dbraw/zinc/50/68/93/845506893.db2.gz ZCWDQBCFYHOAEZ-KRWDZBQOSA-N 0 0 377.444 3.567 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2cncn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333010902 845519804 /nfs/dbraw/zinc/51/98/04/845519804.db2.gz RHCKBSYOFLRRNQ-RWMNUFKLSA-N 0 0 386.540 3.544 10 0 GHAERN CN(C)c1nnc(-c2ccc(NC(=O)N3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc2)o1 ZINC000333536978 846249852 /nfs/dbraw/zinc/24/98/52/846249852.db2.gz RGDNOXQSJCDEMV-QJLMEOIESA-N 0 0 381.480 3.703 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000588507370 846465318 /nfs/dbraw/zinc/46/53/18/846465318.db2.gz OTONXMJCYOCVRL-SREVYHEPSA-N 0 0 384.879 3.954 10 0 GHAERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2c(Cl)ccc(C)c2Cl)no1 ZINC000329326757 846588949 /nfs/dbraw/zinc/58/89/49/846588949.db2.gz UGSKJOZATCIQIS-LLVKDONJSA-N 0 0 376.265 3.519 10 0 GHAERN Cc1c(/C=C/C(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cnn1C ZINC000152552415 847310611 /nfs/dbraw/zinc/31/06/11/847310611.db2.gz NQGDWLHDIUKOLP-GFUIURDCSA-N 0 0 384.427 3.623 10 0 GHAERN CCN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152651576 847466676 /nfs/dbraw/zinc/46/66/76/847466676.db2.gz XJMFBBBXGBUUSH-UHFFFAOYSA-N 0 0 391.924 3.697 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)C[C@@H](NC(N)=O)c3cccs3)C2)sc1C ZINC000329657804 861921337 /nfs/dbraw/zinc/92/13/37/861921337.db2.gz NCEBQDHRRVUNLI-UONOGXRCSA-N 0 0 392.550 3.741 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153616274 848763749 /nfs/dbraw/zinc/76/37/49/848763749.db2.gz LGDHCJMWRVFTKQ-KRWDZBQOSA-N 0 0 377.828 3.805 10 0 GHAERN Cc1noc([C@@H]2COCCN2C(=O)/C=C/c2cccc(-c3ccccc3)c2)n1 ZINC000155419387 849525706 /nfs/dbraw/zinc/52/57/06/849525706.db2.gz UCBDPWHMKRAVOC-CFGKVWFZSA-N 0 0 375.428 3.658 10 0 GHAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCC[C@H](c2nccs2)C1 ZINC000155489513 849540401 /nfs/dbraw/zinc/54/04/01/849540401.db2.gz YAIOUNKGYBCDCR-VIFPVBQESA-N 0 0 376.429 3.708 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000155701261 849609236 /nfs/dbraw/zinc/60/92/36/849609236.db2.gz KYBLTWQXRAOKBU-SFHVURJKSA-N 0 0 389.521 3.701 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccc(Cl)c1 ZINC000156182371 849792091 /nfs/dbraw/zinc/79/20/91/849792091.db2.gz OLEPLAHQNFZRJE-GOSISDBHSA-N 0 0 390.915 3.569 10 0 GHAERN COc1cc(Cc2noc([C@H]3C[C@H]3C3CCCCC3)n2)ccc1S(C)(=O)=O ZINC000329701069 862153802 /nfs/dbraw/zinc/15/38/02/862153802.db2.gz HFVDZMZLUIBDQP-HOTGVXAUSA-N 0 0 390.505 3.756 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187797757 851258607 /nfs/dbraw/zinc/25/86/07/851258607.db2.gz BWWUKCQSMIJGNO-CRAIPNDOSA-N 0 0 381.314 3.594 10 0 GHAERN CCCn1cc(CN2CCCN(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000119643428 851363578 /nfs/dbraw/zinc/36/35/78/851363578.db2.gz PPLRYTXLSGCYAP-JOCHJYFZSA-N 0 0 395.551 3.588 10 0 GHAERN CCCNC(=O)c1cccc(CNC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)c1 ZINC000101607892 851727727 /nfs/dbraw/zinc/72/77/27/851727727.db2.gz IJVUKHMTDBKIIV-UHFFFAOYSA-N 0 0 397.519 3.793 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000101734975 851858558 /nfs/dbraw/zinc/85/85/58/851858558.db2.gz LAFCAPNOVBIUJM-CYBMUJFWSA-N 0 0 396.329 3.854 10 0 GHAERN CCCn1cc(CN2CCCN(C(=O)Nc3cccc4c3CCCC4)CC2)cn1 ZINC000121890944 852035974 /nfs/dbraw/zinc/03/59/74/852035974.db2.gz JWGNMJSXEBUMBP-UHFFFAOYSA-N 0 0 395.551 3.912 10 0 GHAERN Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N(C)C)CC2)CCCCC1 ZINC000102024881 852126941 /nfs/dbraw/zinc/12/69/41/852126941.db2.gz JVXWZZGSPBAIHV-UHFFFAOYSA-N 0 0 385.552 3.707 10 0 GHAERN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC1=O ZINC000125269074 852950239 /nfs/dbraw/zinc/95/02/39/852950239.db2.gz MBKCLBWZEJREQG-FUHWJXTLSA-N 0 0 394.519 3.682 10 0 GHAERN Cc1cc2c(Br)ccnc2cc1N1CCC[C@H](S(C)(=O)=O)CC1 ZINC000333710850 853158594 /nfs/dbraw/zinc/15/85/94/853158594.db2.gz PTWHFZZGUAJOLY-ZDUSSCGKSA-N 0 0 397.338 3.709 10 0 GHAERN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N1CCC[C@@H](n2cccn2)C1 ZINC000328685019 854508620 /nfs/dbraw/zinc/50/86/20/854508620.db2.gz FJPUREUSMDOWTE-CJNGLKHVSA-N 0 0 390.896 3.853 10 0 GHAERN CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)C[C@@H]1c1ccccc1 ZINC000328865769 854586641 /nfs/dbraw/zinc/58/66/41/854586641.db2.gz GMFFMVBPGSKTMH-RBUKOAKNSA-N 0 0 383.513 3.600 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)C1 ZINC000328873742 854592477 /nfs/dbraw/zinc/59/24/77/854592477.db2.gz YZHSGAUCJZAIKE-QQXKLLMISA-N 0 0 390.572 3.716 10 0 GHAERN O=S(=O)(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c(c1)COC2 ZINC000330122925 862593996 /nfs/dbraw/zinc/59/39/96/862593996.db2.gz BYSHXCFPRPZZLX-LJQANCHMSA-N 0 0 385.485 3.832 10 0 GHAERN Cc1ccc(Cl)cc1NC(=O)[C@H](C)[S@](=O)Cc1nc(-c2ccoc2)no1 ZINC000105711265 855135875 /nfs/dbraw/zinc/13/58/75/855135875.db2.gz DMRQIYLGASRTFX-LJZMDLFKSA-N 0 0 393.852 3.567 10 0 GHAERN C[C@@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000191341101 855623661 /nfs/dbraw/zinc/62/36/61/855623661.db2.gz RDKMECMCOVCBEY-MCIONIFRSA-N 0 0 385.430 3.855 10 0 GHAERN CC(C)(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000172172323 855860917 /nfs/dbraw/zinc/86/09/17/855860917.db2.gz YFPZQRUKEQAMIC-NVXWUHKLSA-N 0 0 378.538 3.763 10 0 GHAERN CC[C@@H](O)CN(CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000104101375 856309255 /nfs/dbraw/zinc/30/92/55/856309255.db2.gz VUVVQJQSSCMVHT-CTNGQTDRSA-N 0 0 395.528 3.626 10 0 GHAERN COc1cccc([C@@H]2CCCN2C(=O)c2cccc(CN3CCCC3=O)c2)c1 ZINC000042009876 856340757 /nfs/dbraw/zinc/34/07/57/856340757.db2.gz DDPYFQFDXMBYSZ-NRFANRHFSA-N 0 0 378.472 3.795 10 0 GHAERN COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccccc2C)c2nccn2C)c1 ZINC000045595614 856741367 /nfs/dbraw/zinc/74/13/67/856741367.db2.gz DSQRJDCETCUSQK-OXQOHEQNSA-N 0 0 378.476 3.887 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2C[C@@H](c3cccs3)C[C@@H]2C)c(=O)[nH]1 ZINC000371007506 857051076 /nfs/dbraw/zinc/05/10/76/857051076.db2.gz KVEXDVCOOGALRW-AAEUAGOBSA-N 0 0 377.535 3.611 10 0 GHAERN CN(C)c1ccnc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1 ZINC000113443994 857893642 /nfs/dbraw/zinc/89/36/42/857893642.db2.gz SJQKOYKGJNQYSS-KRWDZBQOSA-N 0 0 375.476 3.558 10 0 GHAERN CN(CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)C(=O)c1cccs1 ZINC000129867363 858067128 /nfs/dbraw/zinc/06/71/28/858067128.db2.gz LFEKFAPRNVPQPM-MRXNPFEDSA-N 0 0 384.501 3.773 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cn1 ZINC000281424773 863020684 /nfs/dbraw/zinc/02/06/84/863020684.db2.gz GCWYJGITSYVOKJ-SDNTUTLCSA-N 0 0 396.329 3.630 10 0 GHAERN Cc1nc(-c2cccs2)sc1C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000133825911 858819337 /nfs/dbraw/zinc/81/93/37/858819337.db2.gz MPPRNIUWYLQWEQ-LBPRGKRZSA-N 0 0 387.534 3.640 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248183086 859167954 /nfs/dbraw/zinc/16/79/54/859167954.db2.gz WTGIZOXGXZSQNN-FHJLPGHOSA-N 0 0 399.535 3.860 10 0 GHAERN Cc1csc([C@@H]2COCCN2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000251729312 859471710 /nfs/dbraw/zinc/47/17/10/859471710.db2.gz MPOCNYATGKJRFD-UPJWGTAASA-N 0 0 377.432 3.656 10 0 GHAERN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130177446 859563276 /nfs/dbraw/zinc/56/32/76/859563276.db2.gz IGLIDADCKWXBFK-INIZCTEOSA-N 0 0 395.503 3.942 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000153675309 859864509 /nfs/dbraw/zinc/86/45/09/859864509.db2.gz JNGXRLODEIUANG-KRWDZBQOSA-N 0 0 383.496 3.678 10 0 GHAERN O=C(Nc1ccc(Br)nc1)NC1CCN(c2cccs2)CC1 ZINC000166884998 860486967 /nfs/dbraw/zinc/48/69/67/860486967.db2.gz FHLGQESFHMQRPD-UHFFFAOYSA-N 0 0 381.299 3.696 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000102903344 860619937 /nfs/dbraw/zinc/61/99/37/860619937.db2.gz JBFXUPPUAZZFOZ-ICSRJNTNSA-N 0 0 396.466 3.737 10 0 GHAERN Cc1cc(N2CCCC2)ccc1NC(=O)NCCCNC(=O)OC(C)(C)C ZINC000103567785 881564250 /nfs/dbraw/zinc/56/42/50/881564250.db2.gz SCFLRWAXBOUSOS-UHFFFAOYSA-N 0 0 376.501 3.632 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2)n1 ZINC000102841781 860878901 /nfs/dbraw/zinc/87/89/01/860878901.db2.gz YSRJRCGPQHWCCJ-UHFFFAOYSA-N 0 0 389.864 3.508 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3nc(-c4ccccc4)no3)o2)cc1 ZINC000102946498 860912889 /nfs/dbraw/zinc/91/28/89/860912889.db2.gz GHZWAZGAXLECKQ-NDEPHWFRSA-N 0 0 395.440 3.849 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000329206696 861140790 /nfs/dbraw/zinc/14/07/90/861140790.db2.gz XMXUJAYRQUEFRQ-NSHDSACASA-N 0 0 395.410 3.520 10 0 GHAERN C[C@@H](NC(=O)C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000103224312 863912522 /nfs/dbraw/zinc/91/25/22/863912522.db2.gz UITFXTAFUDIDJM-MZHQLVBMSA-N 0 0 392.477 3.668 10 0 GHAERN CC(=O)CCc1ccc(OCC(=O)NCCc2c[nH]c3cccc(C)c23)cc1 ZINC000103128102 863926509 /nfs/dbraw/zinc/92/65/09/863926509.db2.gz YKQFZAGTRIUKBA-UHFFFAOYSA-N 0 0 378.472 3.736 10 0 GHAERN CCCCCNC(=O)C1CCN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 ZINC000103317690 863956384 /nfs/dbraw/zinc/95/63/84/863956384.db2.gz YFZGHAMOEHSSRQ-UHFFFAOYSA-N 0 0 398.551 3.747 10 0 GHAERN Cc1ccc(-n2ccnc2S(=O)(=O)[C@@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000103620612 864044903 /nfs/dbraw/zinc/04/49/03/864044903.db2.gz ICHTWDDIVCZDIL-AWEZNQCLSA-N 0 0 388.493 3.705 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(Br)s1 ZINC000103851339 864062865 /nfs/dbraw/zinc/06/28/65/864062865.db2.gz LKMYLHVHQOEICN-UHFFFAOYSA-N 0 0 383.311 3.903 10 0 GHAERN CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000103736126 864075903 /nfs/dbraw/zinc/07/59/03/864075903.db2.gz ADPOWRHVROQTGF-UHFFFAOYSA-N 0 0 382.276 3.693 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103748138 864080979 /nfs/dbraw/zinc/08/09/79/864080979.db2.gz MGGUEWHXJLHRNE-UHFFFAOYSA-N 0 0 383.839 3.889 10 0 GHAERN CCC(C)(C)NC(=O)Cn1nc(-c2ccc(Br)cc2Cl)nc1C ZINC000104054219 864167179 /nfs/dbraw/zinc/16/71/79/864167179.db2.gz JHKRMTMPHYIFEJ-UHFFFAOYSA-N 0 0 399.720 3.974 10 0 GHAERN O=C(Nc1ccccc1NCC(F)(F)F)c1ccc(-n2cnnn2)cc1Cl ZINC000104338460 864270644 /nfs/dbraw/zinc/27/06/44/864270644.db2.gz OJOSBRHIVMSUIN-UHFFFAOYSA-N 0 0 396.760 3.542 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000104460932 864326111 /nfs/dbraw/zinc/32/61/11/864326111.db2.gz SKIDUERFKMZECM-UHFFFAOYSA-N 0 0 377.488 3.872 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000105001427 864803424 /nfs/dbraw/zinc/80/34/24/864803424.db2.gz BUADBUIJPUEADJ-UHFFFAOYSA-N 0 0 382.386 3.904 10 0 GHAERN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000155173474 865412631 /nfs/dbraw/zinc/41/26/31/865412631.db2.gz RGAVLDRUXHHROT-KBXCAEBGSA-N 0 0 385.430 3.930 10 0 GHAERN CC(=O)N1CC[C@H](Nc2cc(N3CCCCC3)ncn2)c2ccc(F)cc2C1 ZINC000302184576 865754629 /nfs/dbraw/zinc/75/46/29/865754629.db2.gz GUEZSLUJZJIUQC-IBGZPJMESA-N 0 0 383.471 3.511 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2nccs2)C1 ZINC000114742105 866769990 /nfs/dbraw/zinc/76/99/90/866769990.db2.gz POUPZYRROMLLLL-NSHDSACASA-N 0 0 376.425 3.730 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)c1ccncc1 ZINC000170884494 882063473 /nfs/dbraw/zinc/06/34/73/882063473.db2.gz YOTJVHFTUDAXPX-TZIWHRDSSA-N 0 0 386.455 3.596 10 0 GHAERN O=C(CCCc1nnc(-c2ccccc2)o1)N1CCC[C@H](c2nccs2)C1 ZINC000170890078 882067631 /nfs/dbraw/zinc/06/76/31/882067631.db2.gz QOQXNWOOZIAPTO-INIZCTEOSA-N 0 0 382.489 3.922 10 0 GHAERN O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)N[C@@H](c1ccccc1)c1cccnc1 ZINC000171222706 882089870 /nfs/dbraw/zinc/08/98/70/882089870.db2.gz RWBTVGZOGBIHCI-RLMNYEENSA-N 0 0 397.478 3.893 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151501560 867679804 /nfs/dbraw/zinc/67/98/04/867679804.db2.gz ACSABQCLJKOYLL-DJJJIMSYSA-N 0 0 394.302 3.946 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CCC(Cc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000171615554 882116987 /nfs/dbraw/zinc/11/69/87/882116987.db2.gz XQTSJTOEINUKMC-OAQYLSRUSA-N 0 0 399.922 3.784 10 0 GHAERN CSCc1nc2ccccc2n1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171644234 882119988 /nfs/dbraw/zinc/11/99/88/882119988.db2.gz LWDRJNBGXTWGLR-AWEZNQCLSA-N 0 0 386.546 3.762 10 0 GHAERN Cc1cc(Cl)cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000172082206 882167366 /nfs/dbraw/zinc/16/73/66/882167366.db2.gz YJISQSSIGTXNLH-UHFFFAOYSA-N 0 0 390.842 3.984 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000172547446 882294157 /nfs/dbraw/zinc/29/41/57/882294157.db2.gz HBXHCVJUAQBEEX-UHFFFAOYSA-N 0 0 390.443 3.504 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cc2ccccc2s1 ZINC000172585982 882296574 /nfs/dbraw/zinc/29/65/74/882296574.db2.gz JEDSSQMAGNVFSI-HNNXBMFYSA-N 0 0 398.532 3.740 10 0 GHAERN Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172601114 882298600 /nfs/dbraw/zinc/29/86/00/882298600.db2.gz AVAGFPUPZRERQU-QAPCUYQASA-N 0 0 392.507 3.769 10 0 GHAERN C[C@H](c1ccccc1Cl)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172753098 882305807 /nfs/dbraw/zinc/30/58/07/882305807.db2.gz TVZJSUZAMCHVPF-OAHLLOKOSA-N 0 0 385.895 3.807 10 0 GHAERN Cc1cccc2c(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)c[nH]c21 ZINC000172822369 882310489 /nfs/dbraw/zinc/31/04/89/882310489.db2.gz FTOXAPUPENVJKZ-UHFFFAOYSA-N 0 0 381.520 3.660 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000172898704 882322382 /nfs/dbraw/zinc/32/23/82/882322382.db2.gz XODONELCAFKCJO-SFHVURJKSA-N 0 0 385.533 3.777 10 0 GHAERN Cc1nc([C@H](NC(=O)c2nc(Cl)ccc2Cl)c2ccccc2F)no1 ZINC000114650852 869704867 /nfs/dbraw/zinc/70/48/67/869704867.db2.gz KPZUPIZMTPFOEL-CYBMUJFWSA-N 0 0 381.194 3.738 10 0 GHAERN CC(C)c1ccc(CCCNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000173055332 882334505 /nfs/dbraw/zinc/33/45/05/882334505.db2.gz WHWOYAAMZWOTIR-UHFFFAOYSA-N 0 0 393.531 3.806 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCC(Oc4ccccc4)CC3)CC2)nc1 ZINC000173374109 882357377 /nfs/dbraw/zinc/35/73/77/882357377.db2.gz PENNNDSNPJZJQQ-UHFFFAOYSA-N 0 0 394.519 3.612 10 0 GHAERN C[C@@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)c1nc(C2CCCCC2)no1 ZINC000173463017 882362409 /nfs/dbraw/zinc/36/24/09/882362409.db2.gz AQCCFAAOVHLJCS-CZUORRHYSA-N 0 0 397.479 3.604 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2ccnc2)c1 ZINC000173456922 882362505 /nfs/dbraw/zinc/36/25/05/882362505.db2.gz IPILUWJHGBYWKR-NVXWUHKLSA-N 0 0 381.505 3.979 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)cc1 ZINC000173754470 882372429 /nfs/dbraw/zinc/37/24/29/882372429.db2.gz MTMZUIFUAIOCLQ-RHSMWYFYSA-N 0 0 379.460 3.990 10 0 GHAERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189984856 870316172 /nfs/dbraw/zinc/31/61/72/870316172.db2.gz SUNLPULONZNKEZ-AJNGGQMLSA-N 0 0 388.434 3.543 10 0 GHAERN CCCCc1noc(CS(=O)(=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000173914513 882396418 /nfs/dbraw/zinc/39/64/18/882396418.db2.gz ITEAPHXOXNRECP-UHFFFAOYSA-N 0 0 395.868 3.836 10 0 GHAERN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c12 ZINC000046489726 870435597 /nfs/dbraw/zinc/43/55/97/870435597.db2.gz VNRZIEJCDGXOMT-IAGOWNOFSA-N 0 0 396.516 3.789 10 0 GHAERN O=C(NCCc1cc(F)cc2c1OCOC2)N1CCC[C@@H]1c1ccsc1 ZINC000047070292 870456045 /nfs/dbraw/zinc/45/60/45/870456045.db2.gz SAOJGIOACMEGAH-QGZVFWFLSA-N 0 0 376.453 3.843 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)COc3ccc(Cl)cc3C)C2)c1 ZINC000102383155 882416480 /nfs/dbraw/zinc/41/64/80/882416480.db2.gz PWPUHBMVCWLTQI-INIZCTEOSA-N 0 0 388.895 3.679 10 0 GHAERN O=C(c1cccnc1N1CCCCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000174070724 882421271 /nfs/dbraw/zinc/42/12/71/882421271.db2.gz ADUMRECQWTYITF-UHFFFAOYSA-N 0 0 382.483 3.928 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCC(Nc2ccccc2F)CC1 ZINC000174068347 882421423 /nfs/dbraw/zinc/42/14/23/882421423.db2.gz RNJGODBGDCFWTR-QZTJIDSGSA-N 0 0 396.462 3.804 10 0 GHAERN CCS[C@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000174364494 882458570 /nfs/dbraw/zinc/45/85/70/882458570.db2.gz HBYMTCJSDJKSRS-CVEARBPZSA-N 0 0 380.579 3.733 10 0 GHAERN CN(C)C(=O)c1cc(N[C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)ccc1F ZINC000367368391 870999029 /nfs/dbraw/zinc/99/90/29/870999029.db2.gz SUKHAEIZYLQJJC-NHCUHLMSSA-N 0 0 395.478 3.618 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1ccccc1OC1CCCC1)CC2 ZINC000152394236 882466049 /nfs/dbraw/zinc/46/60/49/882466049.db2.gz ALWCBTNFEGXDDA-OAHLLOKOSA-N 0 0 383.496 3.859 10 0 GHAERN CCCc1ccccc1NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000174818835 882475691 /nfs/dbraw/zinc/47/56/91/882475691.db2.gz WVDPXZCLVFINIW-UHFFFAOYSA-N 0 0 383.496 3.639 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Oc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000103045107 871139163 /nfs/dbraw/zinc/13/91/63/871139163.db2.gz GOAJNUVRGICPHF-YWZLYKJASA-N 0 0 392.455 3.736 10 0 GHAERN O=S(=O)(/C=C/c1cccc(Br)c1)Nc1cnc(C2CC2)nc1 ZINC000103059819 871160771 /nfs/dbraw/zinc/16/07/71/871160771.db2.gz XANSJSRBPYKWJO-VOTSOKGWSA-N 0 0 380.267 3.529 10 0 GHAERN O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035207 882518968 /nfs/dbraw/zinc/51/89/68/882518968.db2.gz QNQKYUVQQLYZBR-WIOPSUGQSA-N 0 0 394.559 3.922 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCCN(C(=O)c2cccs2)CC1 ZINC000093385849 882524634 /nfs/dbraw/zinc/52/46/34/882524634.db2.gz OHKXZJIXQCQWKL-UHFFFAOYSA-N 0 0 380.945 3.607 10 0 GHAERN C[C@H](NC(=O)N1CCC(OCC2CCCC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000175318130 882541826 /nfs/dbraw/zinc/54/18/26/882541826.db2.gz WPZYNLQIQGRYBK-KRWDZBQOSA-N 0 0 397.523 3.709 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1nc(-c2ccsc2)no1 ZINC000175208273 882558048 /nfs/dbraw/zinc/55/80/48/882558048.db2.gz LZQFAROQROVNNQ-CQSZACIVSA-N 0 0 382.489 3.598 10 0 GHAERN O=C(N[C@@H](CCCO)c1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000175259580 882562547 /nfs/dbraw/zinc/56/25/47/882562547.db2.gz UNONNGYNCXZSOV-FQEVSTJZSA-N 0 0 385.483 3.925 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000103443918 871998549 /nfs/dbraw/zinc/99/85/49/871998549.db2.gz VWDUYRXFOKSGPH-GJZGRUSLSA-N 0 0 397.313 3.584 10 0 GHAERN O=c1ccc(-c2ccc(F)cc2)nn1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103461249 872042185 /nfs/dbraw/zinc/04/21/85/872042185.db2.gz AQKYADBYKKVEJX-HXUWFJFHSA-N 0 0 399.853 3.734 10 0 GHAERN COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175490365 882585618 /nfs/dbraw/zinc/58/56/18/882585618.db2.gz MYCJEUYHUUEOHM-UKTKYZJWSA-N 0 0 379.884 3.548 10 0 GHAERN O=C(/C=C/c1ccccc1OC(F)F)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175552079 882596103 /nfs/dbraw/zinc/59/61/03/882596103.db2.gz QDUWKWUHFAIWAG-ZHACJKMWSA-N 0 0 396.397 3.602 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175501084 882589827 /nfs/dbraw/zinc/58/98/27/882589827.db2.gz AIYNMHGPLACPDY-RYQLBKOJSA-N 0 0 397.437 3.996 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000163845476 872301192 /nfs/dbraw/zinc/30/11/92/872301192.db2.gz WTGIZOXGXZSQNN-BOCKYXSRSA-N 0 0 399.535 3.860 10 0 GHAERN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C(C)C)n(C)c2=S)c1 ZINC000101901957 872354090 /nfs/dbraw/zinc/35/40/90/872354090.db2.gz UDOGWNYYFLQLPT-MRXNPFEDSA-N 0 0 376.526 3.886 10 0 GHAERN CCS[C@@H]1CCC[C@H](NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1 ZINC000175881308 882609751 /nfs/dbraw/zinc/60/97/51/882609751.db2.gz BLRMCIGUKIVPIH-RBUKOAKNSA-N 0 0 395.613 3.875 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1noc(Cc2ccccc2)n1 ZINC000175739866 882619518 /nfs/dbraw/zinc/61/95/18/882619518.db2.gz BBCXHNYYPTYFNR-GOEBONIOSA-N 0 0 397.504 3.767 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000175787920 882626600 /nfs/dbraw/zinc/62/66/00/882626600.db2.gz GJQLPJIYTKZULQ-ISLYRVAYSA-N 0 0 384.520 3.740 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000175820248 882636390 /nfs/dbraw/zinc/63/63/90/882636390.db2.gz KBERYZVIEIRHAR-WUKNDPDISA-N 0 0 378.472 3.520 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1C(=O)NC(C)C ZINC000175847978 882640509 /nfs/dbraw/zinc/64/05/09/882640509.db2.gz ZKHZLVDQKNAKLQ-RTBURBONSA-N 0 0 383.496 3.635 10 0 GHAERN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)OCc1nc(Cl)ccc1Cl ZINC000102194692 872713315 /nfs/dbraw/zinc/71/33/15/872713315.db2.gz JUKHHRQNXWHBMO-CQSZACIVSA-N 0 0 399.299 3.727 10 0 GHAERN O=C(Nc1cc(-c2ccccc2)on1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000176205610 882647124 /nfs/dbraw/zinc/64/71/24/882647124.db2.gz WYYRHESFWRXFPK-UHFFFAOYSA-N 0 0 396.491 3.988 10 0 GHAERN O=C(C[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1cccs1 ZINC000176208664 882647336 /nfs/dbraw/zinc/64/73/36/882647336.db2.gz KTXXRVLYZVMOFZ-SFHVURJKSA-N 0 0 396.512 3.748 10 0 GHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176306551 882677823 /nfs/dbraw/zinc/67/78/23/882677823.db2.gz BRBYSZDCKOODEG-MSOLQXFVSA-N 0 0 375.476 3.557 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3c(C)noc3Cl)C2)c1 ZINC000176387281 882687081 /nfs/dbraw/zinc/68/70/81/882687081.db2.gz OETBLQWCGLCWFT-CYBMUJFWSA-N 0 0 378.856 3.602 10 0 GHAERN O=C(NC[C@H]1CCCc2ccccc21)C1CCN(C(=O)c2cccs2)CC1 ZINC000115628360 873124897 /nfs/dbraw/zinc/12/48/97/873124897.db2.gz QIJSUTOLEDIKIV-GOSISDBHSA-N 0 0 382.529 3.837 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000102695629 873462925 /nfs/dbraw/zinc/46/29/25/873462925.db2.gz GCCMSJAXWGYTPX-KRWDZBQOSA-N 0 0 397.519 3.983 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)on1 ZINC000102744427 873526174 /nfs/dbraw/zinc/52/61/74/873526174.db2.gz OGFWKAVINCFZLP-VXGBXAGGSA-N 0 0 383.370 3.868 10 0 GHAERN CC(C)c1nnc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)o1 ZINC000176835002 882742373 /nfs/dbraw/zinc/74/23/73/882742373.db2.gz ZCAOJHACDAZOGT-QGZVFWFLSA-N 0 0 393.491 3.922 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)no1 ZINC000177357891 882788995 /nfs/dbraw/zinc/78/89/95/882788995.db2.gz HAHDBJXAVLWTPI-DZGCQCFKSA-N 0 0 386.452 3.572 10 0 GHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117721385 874147933 /nfs/dbraw/zinc/14/79/33/874147933.db2.gz WBATWFGEVHCAIN-UHFFFAOYSA-N 0 0 375.515 3.860 10 0 GHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1 ZINC000117783742 874161992 /nfs/dbraw/zinc/16/19/92/874161992.db2.gz NTTHIKDSRLFQHQ-JLTOFOAXSA-N 0 0 379.485 3.819 10 0 GHAERN CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3c4ccccc4CCC3(C)C)cc21 ZINC000161799400 874412757 /nfs/dbraw/zinc/41/27/57/874412757.db2.gz WMGBGENHLOSQFE-OAQYLSRUSA-N 0 0 398.528 3.588 10 0 GHAERN NC(=O)c1ccccc1Oc1ncccc1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000177626956 882837958 /nfs/dbraw/zinc/83/79/58/882837958.db2.gz ITNIFBDLVLGAME-KRWDZBQOSA-N 0 0 387.439 3.603 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)CCO2)n1 ZINC000249208378 882867395 /nfs/dbraw/zinc/86/73/95/882867395.db2.gz CBBXZRRUZXASOH-AGIUHOORSA-N 0 0 377.432 3.656 10 0 GHAERN CO[C@@H](C)c1noc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000178145498 882890075 /nfs/dbraw/zinc/89/00/75/882890075.db2.gz GEYBCKDIYJQMJC-UXMMLNGASA-N 0 0 381.841 3.534 10 0 GHAERN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(OCC(F)(F)F)cc3)CC2=O)cc1 ZINC000105378656 875279676 /nfs/dbraw/zinc/27/96/76/875279676.db2.gz DBSRUBWNJDZTGS-CQSZACIVSA-N 0 0 392.377 3.928 10 0 GHAERN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1cccnc1Cl ZINC000105512473 875314579 /nfs/dbraw/zinc/31/45/79/875314579.db2.gz UCEGKZDKCCOGPT-UHFFFAOYSA-N 0 0 380.831 3.875 10 0 GHAERN O=C(O[C@H](c1ccccn1)C(F)(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000178801959 882921592 /nfs/dbraw/zinc/92/15/92/882921592.db2.gz HROUWHHQGCKDBF-OAHLLOKOSA-N 0 0 398.406 3.842 10 0 GHAERN CCCCC[C@@H](C)NC(=O)C[S@](=O)Cc1csc(Br)c1 ZINC000105692126 875366688 /nfs/dbraw/zinc/36/66/88/875366688.db2.gz NJOUAFNWWDYATM-GIPWTMENSA-N 0 0 380.373 3.844 10 0 GHAERN Cc1nc([C@H](NC(=O)Nc2ccc(N(C)C)c(C)c2)c2ccccc2F)no1 ZINC000120053690 875421944 /nfs/dbraw/zinc/42/19/44/875421944.db2.gz QXQHJRSLQANHOA-GOSISDBHSA-N 0 0 383.427 3.803 10 0 GHAERN O=C(OCCc1ccccc1C(F)(F)F)C1CCN(C(=O)N2CCCC2)CC1 ZINC000105776064 875456591 /nfs/dbraw/zinc/45/65/91/875456591.db2.gz QACSQFPOIBTOTH-UHFFFAOYSA-N 0 0 398.425 3.719 10 0 GHAERN O=C(NC1CCCC1)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000174596041 875533306 /nfs/dbraw/zinc/53/33/06/875533306.db2.gz FPPWRZXFCXELDP-NVXWUHKLSA-N 0 0 390.553 3.561 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc2ncccc21 ZINC000179082612 882952432 /nfs/dbraw/zinc/95/24/32/882952432.db2.gz OFGSHWDQEKSLBX-UHFFFAOYSA-N 0 0 391.446 3.889 10 0 GHAERN CCOc1ccc(CNC(=O)c2cc(Br)cnc2Cl)cc1F ZINC000105984385 875669917 /nfs/dbraw/zinc/66/99/17/875669917.db2.gz DCCAFCUOQSUMGZ-UHFFFAOYSA-N 0 0 387.636 3.965 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000178846729 882958310 /nfs/dbraw/zinc/95/83/10/882958310.db2.gz AQTUMEODNGIRKG-UHFFFAOYSA-N 0 0 380.414 3.603 10 0 GHAERN COCCn1ccc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc21 ZINC000179442641 882998657 /nfs/dbraw/zinc/99/86/57/882998657.db2.gz VKNBDIZBACMCKW-UHFFFAOYSA-N 0 0 395.507 3.508 10 0 GHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000179811987 883029843 /nfs/dbraw/zinc/02/98/43/883029843.db2.gz VRCZIUWTWHZIJZ-OAHLLOKOSA-N 0 0 399.516 3.674 10 0 GHAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000179832886 883031510 /nfs/dbraw/zinc/03/15/10/883031510.db2.gz YDSQYPMKVGPEPR-INIZCTEOSA-N 0 0 399.401 3.529 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)nn1-c1cccc(Cl)c1 ZINC000180345201 883050761 /nfs/dbraw/zinc/05/07/61/883050761.db2.gz RSRPNROFSLZLEM-KRWDZBQOSA-N 0 0 384.871 3.727 10 0 GHAERN COc1ccc(-n2nc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2C)cc1 ZINC000180144388 883061797 /nfs/dbraw/zinc/06/17/97/883061797.db2.gz VLKRQBGCPLVGRR-HNNXBMFYSA-N 0 0 382.489 3.666 10 0 GHAERN CCCc1cnc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000180796511 883099512 /nfs/dbraw/zinc/09/95/12/883099512.db2.gz SVAXCNXPSKARJF-UHFFFAOYSA-N 0 0 378.523 3.537 10 0 GHAERN COc1cc(F)c(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)cc1OC ZINC000121516929 877293418 /nfs/dbraw/zinc/29/34/18/877293418.db2.gz OSZCWUCIMVSKOU-HXUWFJFHSA-N 0 0 384.382 3.896 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(CN4CCCC4=O)cc3)C2)cc1 ZINC000121914769 878041018 /nfs/dbraw/zinc/04/10/18/878041018.db2.gz PVHBYHSFEXLHLE-UTKZUKDTSA-N 0 0 392.499 3.836 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)c1 ZINC000121927203 878047993 /nfs/dbraw/zinc/04/79/93/878047993.db2.gz ZECGCOACBKMKHG-JXFKEZNVSA-N 0 0 380.488 3.805 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Br)nc2)cc1 ZINC000122972757 879763437 /nfs/dbraw/zinc/76/34/37/879763437.db2.gz QXBQOXQSHUQUSV-MRXNPFEDSA-N 0 0 391.265 3.595 10 0 GHAERN Cc1c([C@@H](C)NCc2nnc(-c3ccccc3)s2)cnn1-c1ccccn1 ZINC000181314955 883135606 /nfs/dbraw/zinc/13/56/06/883135606.db2.gz PPHRMESEMRVODL-CQSZACIVSA-N 0 0 376.489 3.945 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000181454777 883153890 /nfs/dbraw/zinc/15/38/90/883153890.db2.gz UWEUENCUYRMROL-FYYLOGMGSA-N 0 0 391.515 3.868 10 0 GHAERN C[C@H](OC(=O)[C@H]1CCCCN1C(=O)c1cccnc1)c1nc2ccccc2o1 ZINC000181733551 883176966 /nfs/dbraw/zinc/17/69/66/883176966.db2.gz INNYEBCZMOETLW-WMLDXEAASA-N 0 0 379.416 3.522 10 0 GHAERN CC(C)c1ccc([C@H](C)CC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000181917009 883192053 /nfs/dbraw/zinc/19/20/53/883192053.db2.gz CHKNZNARDCPSRU-GOSISDBHSA-N 0 0 383.536 3.899 10 0 GHAERN O=C(c1cc(OCC(F)F)ccn1)N1CCC(Nc2ccccc2F)CC1 ZINC000182035129 883200023 /nfs/dbraw/zinc/20/00/23/883200023.db2.gz QCSLLPQNGSVDRT-UHFFFAOYSA-N 0 0 379.382 3.581 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)NCC3(c4ccc(F)cc4)CC3)C2)c1 ZINC000102445260 883211360 /nfs/dbraw/zinc/21/13/60/883211360.db2.gz MHXLZVXEGLOCOW-KRWDZBQOSA-N 0 0 397.494 3.692 10 0 GHAERN COc1ccc(C[C@H](C)C(=O)N2CCC(Oc3ccc(C)cn3)CC2)cc1OC ZINC000182339411 883216480 /nfs/dbraw/zinc/21/64/80/883216480.db2.gz YIANTPPFBLIAKN-KRWDZBQOSA-N 0 0 398.503 3.656 10 0 GHAERN O=C(Nc1cccc(C(=O)c2ccccc2)c1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183080404 883259915 /nfs/dbraw/zinc/25/99/15/883259915.db2.gz HAXJGCGLQQOVGK-GOSISDBHSA-N 0 0 375.432 3.795 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2ccccc2N2CCCCC2)CC1 ZINC000183694019 883282479 /nfs/dbraw/zinc/28/24/79/883282479.db2.gz SZOBSSXZWIFQSX-UHFFFAOYSA-N 0 0 395.551 3.575 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2ccc(F)cc2C1 ZINC000184112511 883320293 /nfs/dbraw/zinc/32/02/93/883320293.db2.gz DGEBLMYUQKIBGZ-INIZCTEOSA-N 0 0 396.249 3.751 10 0 GHAERN O=C(Nc1cccc(CC(F)(F)F)c1)N1CCCN(c2ccccn2)CC1 ZINC000184119956 883321944 /nfs/dbraw/zinc/32/19/44/883321944.db2.gz PPPFDTMNAAWJHT-UHFFFAOYSA-N 0 0 378.398 3.931 10 0 GHAERN CCCc1c(NC(=O)N2CCC[C@H]2Cn2ccnc2)cnn1-c1cccc(F)c1 ZINC000184526277 883353314 /nfs/dbraw/zinc/35/33/14/883353314.db2.gz BXSZSKFQYCVITH-SFHVURJKSA-N 0 0 396.470 3.857 10 0 GHAERN Cn1cc([C@@H](NCc2cc(Cl)cc3c2OCOC3)c2ccc(F)cc2)cn1 ZINC000184599924 883359930 /nfs/dbraw/zinc/35/99/30/883359930.db2.gz DOPACRZASCEIMU-IBGZPJMESA-N 0 0 387.842 3.958 10 0 GHAERN COCCOc1ccc(S(=O)(=O)[C@@H](C)c2ncc(-c3ccccc3)o2)cc1 ZINC000184626911 883367812 /nfs/dbraw/zinc/36/78/12/883367812.db2.gz IJVYLZGEXWWBJY-HNNXBMFYSA-N 0 0 387.457 3.902 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000184662905 883371561 /nfs/dbraw/zinc/37/15/61/883371561.db2.gz SLBBATBAQNVSAV-QFIPXVFZSA-N 0 0 397.494 3.778 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)c(F)c2)c2ccc(F)cc2C1 ZINC000184830721 883384953 /nfs/dbraw/zinc/38/49/53/883384953.db2.gz UDSANELXCSQWRY-SFHVURJKSA-N 0 0 377.366 3.719 10 0 GHAERN COC(=O)[C@H](C)Cc1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000184857390 883385969 /nfs/dbraw/zinc/38/59/69/883385969.db2.gz FIJSGZXIAMQYLU-AUUYWEPGSA-N 0 0 386.448 3.545 10 0 GHAERN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCN(c2cccs2)C(=O)C1 ZINC000184967664 883407359 /nfs/dbraw/zinc/40/73/59/883407359.db2.gz DIRRXYYEPNJIJK-UHFFFAOYSA-N 0 0 384.505 3.537 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2CCC(C)(C)CC2)c2ccc(F)cc2C1 ZINC000184983332 883408869 /nfs/dbraw/zinc/40/88/69/883408869.db2.gz ZQTLTUKBMSQKOS-IBGZPJMESA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCCC[C@@H]2C(C)C)c2ccc(F)cc2C1 ZINC000185246783 883429335 /nfs/dbraw/zinc/42/93/35/883429335.db2.gz GUEKJNRSGMUMMV-VQTJNVASSA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCCC(C)(C)CC2)c2ccc(F)cc2C1 ZINC000185248735 883429768 /nfs/dbraw/zinc/42/97/68/883429768.db2.gz RYKXWXBCZPJOFW-IBGZPJMESA-N 0 0 375.488 3.841 10 0 GHAERN CCc1nc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)sc1C ZINC000185376898 883444192 /nfs/dbraw/zinc/44/41/92/883444192.db2.gz GMHORMBOIMIKDE-KRWDZBQOSA-N 0 0 390.484 3.768 10 0 GHAERN C[C@@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cn(C)c2ccccc12 ZINC000185387949 883445987 /nfs/dbraw/zinc/44/59/87/883445987.db2.gz FLQKRMVBSJYUAD-MRXNPFEDSA-N 0 0 395.528 3.718 10 0 GHAERN CCCOc1ncccc1CNC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102561915 883546206 /nfs/dbraw/zinc/54/62/06/883546206.db2.gz HYPLYAKXHMJCTB-UHFFFAOYSA-N 0 0 398.438 3.706 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(C)nc3ccccc32)c2ccc(F)cc2C1 ZINC000185512357 883548756 /nfs/dbraw/zinc/54/87/56/883548756.db2.gz DCUCAKAZNKUGMH-JOCHJYFZSA-N 0 0 391.446 3.906 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cnc3ccc(F)cc3c2)c2ccc(F)cc2C1 ZINC000185515554 883549079 /nfs/dbraw/zinc/54/90/79/883549079.db2.gz SQILYZBIHRLYRJ-NRFANRHFSA-N 0 0 395.409 3.736 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cc(-c3cccs3)n[nH]2)c2ccc(F)cc2C1 ZINC000185564067 883556515 /nfs/dbraw/zinc/55/65/15/883556515.db2.gz SBPNNIYTOORJLS-INIZCTEOSA-N 0 0 398.463 3.501 10 0 GHAERN O=C(c1cc(COc2ccccc2F)on1)N1CCC[C@@H](c2nccs2)C1 ZINC000185570272 883557903 /nfs/dbraw/zinc/55/79/03/883557903.db2.gz ZQLCTHLDQNBIPC-CYBMUJFWSA-N 0 0 387.436 3.869 10 0 GHAERN C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccc(F)c2O1 ZINC000185643826 883570477 /nfs/dbraw/zinc/57/04/77/883570477.db2.gz TYAYDBFKJZIDQY-CYBMUJFWSA-N 0 0 388.464 3.554 10 0 GHAERN C[C@H](C(=O)N1CC=C(c2cccs2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000185682804 883571847 /nfs/dbraw/zinc/57/18/47/883571847.db2.gz LBPCPTNLFZQEHV-AWEZNQCLSA-N 0 0 376.522 3.867 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H]1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185823268 883577547 /nfs/dbraw/zinc/57/75/47/883577547.db2.gz GJEZMIRAMZDHFX-HNAYVOBHSA-N 0 0 389.455 3.790 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2Cn2cccn2)cs1 ZINC000186013945 883606306 /nfs/dbraw/zinc/60/63/06/883606306.db2.gz UYUWQJQEQROATK-IBGZPJMESA-N 0 0 381.505 3.743 10 0 GHAERN O=C(CCc1ccc(Br)cc1)N1CCCN(c2ccccn2)CC1 ZINC000186420301 883644767 /nfs/dbraw/zinc/64/47/67/883644767.db2.gz FQGHGAXCNCWDQO-UHFFFAOYSA-N 0 0 388.309 3.516 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)no1 ZINC000186648626 883680291 /nfs/dbraw/zinc/68/02/91/883680291.db2.gz UUHNIVMKEIMIED-OAHLLOKOSA-N 0 0 384.440 3.539 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C2CCC(NC(=O)C3CCCC3)CC2)cs1 ZINC000187022875 883731799 /nfs/dbraw/zinc/73/17/99/883731799.db2.gz UWPSWDGLJOLCFS-TVPLGVNVSA-N 0 0 389.565 3.980 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000186955325 883737878 /nfs/dbraw/zinc/73/78/78/883737878.db2.gz XLOUEVODGGWHSK-WIYYLYMNSA-N 0 0 387.499 3.634 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000187088064 883752714 /nfs/dbraw/zinc/75/27/14/883752714.db2.gz OZJYTMQKKPRDTQ-QGZVFWFLSA-N 0 0 383.897 3.609 10 0 GHAERN Cc1cnccc1CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188279184 883843106 /nfs/dbraw/zinc/84/31/06/883843106.db2.gz GRSFCFBCEIGODL-IBGZPJMESA-N 0 0 375.476 3.869 10 0 GHAERN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)C(=O)Nc1cccc(F)c1 ZINC000188674515 883870064 /nfs/dbraw/zinc/87/00/64/883870064.db2.gz RZUMCPQEALPXDJ-UHFFFAOYSA-N 0 0 378.407 3.603 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000188689936 883870402 /nfs/dbraw/zinc/87/04/02/883870402.db2.gz TXNLYHDXDLAMTG-HNNXBMFYSA-N 0 0 378.350 3.592 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1Br)[C@H]2C ZINC000188820594 883886719 /nfs/dbraw/zinc/88/67/19/883886719.db2.gz JDVSSNKDXJPJHX-XEHSLEBBSA-N 0 0 389.297 3.781 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cn(-c4cccc(Cl)c4)nn3)CC2)n1 ZINC000189509253 883957882 /nfs/dbraw/zinc/95/78/82/883957882.db2.gz VQGUYMJNDHFGRF-UHFFFAOYSA-N 0 0 387.896 3.705 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Br)C[C@H]1C ZINC000189764395 884005289 /nfs/dbraw/zinc/00/52/89/884005289.db2.gz ADNJXMXQJPKPKN-KOLCDFICSA-N 0 0 389.677 3.765 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2Br)C[C@@H]1C ZINC000189764411 884005489 /nfs/dbraw/zinc/00/54/89/884005489.db2.gz ADNJXMXQJPKPKN-ONGXEEELSA-N 0 0 389.677 3.765 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc(S(=O)(=O)C(C)C)ccc1F ZINC000189959282 884027451 /nfs/dbraw/zinc/02/74/51/884027451.db2.gz VLKJJTAXZAMMOT-SFHVURJKSA-N 0 0 391.464 3.570 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000190025236 884043787 /nfs/dbraw/zinc/04/37/87/884043787.db2.gz SOLOHXVUPJDZGB-NZZWAHBWSA-N 0 0 381.432 3.688 10 0 GHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000190178336 884051170 /nfs/dbraw/zinc/05/11/70/884051170.db2.gz RFHNAJJUPXPWMU-GOSISDBHSA-N 0 0 376.460 3.825 10 0 GHAERN O=C(N[C@H](c1cccs1)c1ccc(Cl)cc1)N1CCC[C@@]12CCOC2=O ZINC000190328735 884068575 /nfs/dbraw/zinc/06/85/75/884068575.db2.gz CNLGNRJJLKVIKS-LPHOPBHVSA-N 0 0 390.892 3.982 10 0 GHAERN CC(C)c1nn(C)c2sc(C(=O)N3CCC(Nc4nccs4)CC3)cc12 ZINC000190390227 884075151 /nfs/dbraw/zinc/07/51/51/884075151.db2.gz HXMPKQYUDRTOIO-UHFFFAOYSA-N 0 0 389.550 3.931 10 0 GHAERN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC(Nc2nccs2)CC1 ZINC000190430753 884080609 /nfs/dbraw/zinc/08/06/09/884080609.db2.gz GRGSURMJKXSNOJ-UHFFFAOYSA-N 0 0 393.516 3.534 10 0 GHAERN O=C(NCCCn1cnc2ccccc21)N1CC2(CCOCC2)c2ccccc21 ZINC000190543351 884097037 /nfs/dbraw/zinc/09/70/37/884097037.db2.gz LEZQQOQGUDKHKP-UHFFFAOYSA-N 0 0 390.487 3.704 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)Cc2cccc(Br)c2C)n1 ZINC000190578177 884097921 /nfs/dbraw/zinc/09/79/21/884097921.db2.gz LIDFFDIZGNRUPV-OAHLLOKOSA-N 0 0 395.322 3.665 10 0 GHAERN COc1cc(CNc2ccc(-c3ncn(C)n3)cc2)c(Br)cc1O ZINC000190875816 884117417 /nfs/dbraw/zinc/11/74/17/884117417.db2.gz NDYAGKCNYFHOQC-UHFFFAOYSA-N 0 0 389.253 3.571 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3c(O)cccc32)c2ccc(F)cc2C1 ZINC000191034732 884146919 /nfs/dbraw/zinc/14/69/19/884146919.db2.gz AJPKRHLOFYICBS-NHCUHLMSSA-N 0 0 396.462 3.561 10 0 GHAERN CCn1cc([C@H]2CN(Cc3sc(N(C)C)nc3-c3ccccc3)CCO2)cn1 ZINC000191709747 884206015 /nfs/dbraw/zinc/20/60/15/884206015.db2.gz RHUKYOIZEOJSMB-GOSISDBHSA-N 0 0 397.548 3.666 10 0 GHAERN CC(C)COc1ccc(OC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000191809798 884211847 /nfs/dbraw/zinc/21/18/47/884211847.db2.gz BWDOFOCPIQJWTH-UHFFFAOYSA-N 0 0 382.460 3.574 10 0 GHAERN NC(=O)c1ccccc1CC(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000192036700 884231259 /nfs/dbraw/zinc/23/12/59/884231259.db2.gz AKQACKQRGWKMJU-UHFFFAOYSA-N 0 0 391.496 3.591 10 0 GHAERN Cc1csc(C(=O)N2CCCN(c3ccccn3)CC2)c1Br ZINC000192091489 884233373 /nfs/dbraw/zinc/23/33/73/884233373.db2.gz SOWNLONJVSNXCM-UHFFFAOYSA-N 0 0 380.311 3.567 10 0 GHAERN CC(C)c1cnc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000192393138 884255601 /nfs/dbraw/zinc/25/56/01/884255601.db2.gz WWDWTYILYYSCCD-UHFFFAOYSA-N 0 0 378.523 3.708 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000102695728 884281922 /nfs/dbraw/zinc/28/19/22/884281922.db2.gz SFRSSHPLPOSVTI-GFCCVEGCSA-N 0 0 380.391 3.595 10 0 GHAERN CSCc1ccc(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000192932327 884315350 /nfs/dbraw/zinc/31/53/50/884315350.db2.gz NMMHHLISBKPLSF-UHFFFAOYSA-N 0 0 396.512 3.583 10 0 GHAERN Cc1nc(-c2ccccc2)c(C(=O)N2CCC(c3nc(N(C)C)no3)CC2)s1 ZINC000193136943 884338578 /nfs/dbraw/zinc/33/85/78/884338578.db2.gz JPXYCSWDLKSGHL-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000193199393 884343368 /nfs/dbraw/zinc/34/33/68/884343368.db2.gz DMONDOUYPZFMNF-KGLIPLIRSA-N 0 0 388.455 3.838 10 0 GHAERN CCOc1ccc(Br)cc1NCC(=O)Nc1ccccc1OC ZINC000102767628 884422838 /nfs/dbraw/zinc/42/28/38/884422838.db2.gz GZTNPWNBFDLIHN-UHFFFAOYSA-N 0 0 379.254 3.907 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000102808581 884470320 /nfs/dbraw/zinc/47/03/20/884470320.db2.gz YZOVJCVMQOCITF-MSOLQXFVSA-N 0 0 387.568 3.935 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)N[C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000105206956 884675544 /nfs/dbraw/zinc/67/55/44/884675544.db2.gz OEDBUTQLQQJOMN-QFBILLFUSA-N 0 0 390.430 3.568 10 0 GHAERN CSc1ccc(N2C[C@@H](C(=O)NC3(c4ccccc4)CCC3)CC2=O)cc1 ZINC000105692171 884834213 /nfs/dbraw/zinc/83/42/13/884834213.db2.gz GXMVIHBOIBNAAO-INIZCTEOSA-N 0 0 380.513 3.957 10 0 GHAERN CC(C)(C)c1ccc(NC(=O)C[S@@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711647 884840913 /nfs/dbraw/zinc/84/09/13/884840913.db2.gz IVNLDTWWRPNVJH-MHZLTWQESA-N 0 0 387.461 3.515 10 0 GHAERN COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 ZINC000102957678 885980284 /nfs/dbraw/zinc/98/02/84/885980284.db2.gz IKBVESPKUAPDEZ-MRXNPFEDSA-N 0 0 397.431 3.518 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3ccc(-n4ccnc4)cc3)cc2)n1 ZINC000104325845 886001214 /nfs/dbraw/zinc/00/12/14/886001214.db2.gz RHVSJEGJYQTEES-NYYWCZLTSA-N 0 0 397.438 3.583 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)CCCc3ccc4c(c3)CC(=O)N4)c2)no1 ZINC000104326620 886002561 /nfs/dbraw/zinc/00/25/61/886002561.db2.gz YFPVCWPUYHDBJG-UHFFFAOYSA-N 0 0 376.416 3.501 10 0 GHAERN CCN(C(=O)[C@H](C)[S@](=O)Cc1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000105689861 886019069 /nfs/dbraw/zinc/01/90/69/886019069.db2.gz PNIOTIQLYUEFPW-OLRZCDJHSA-N 0 0 397.500 3.735 10 0 GHAERN COc1ccc([C@H](C)N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000105775613 886021578 /nfs/dbraw/zinc/02/15/78/886021578.db2.gz DXCHQRZGAXBSSU-HNNXBMFYSA-N 0 0 386.517 3.829 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc(N3CCCC3)cc2C)c2ccccc2)[nH]1 ZINC000109380706 886118064 /nfs/dbraw/zinc/11/80/64/886118064.db2.gz DITVDTTYCTVUMN-FQEVSTJZSA-N 0 0 390.491 3.933 10 0 GHAERN CCCOc1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1OCC ZINC000109502452 886135327 /nfs/dbraw/zinc/13/53/27/886135327.db2.gz HOXMHYOJJJIFEB-UHFFFAOYSA-N 0 0 393.443 3.877 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000110217307 886190606 /nfs/dbraw/zinc/19/06/06/886190606.db2.gz IVUVIFSKFORVMO-HUUCEWRRSA-N 0 0 391.302 3.672 10 0 GHAERN CCCOc1ccccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112415410 886263004 /nfs/dbraw/zinc/26/30/04/886263004.db2.gz GVTAIDIHJNNUSL-UHFFFAOYSA-N 0 0 387.505 3.917 10 0 GHAERN O=C(c1ccc(-n2cnnc2)cc1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218130 886287174 /nfs/dbraw/zinc/28/71/74/886287174.db2.gz VCDPCBLDRBIHGB-LJQANCHMSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(c1cccnc1SCC1CCCCC1)N1CCC(n2cncn2)CC1 ZINC000115352286 886342038 /nfs/dbraw/zinc/34/20/38/886342038.db2.gz LNOASEMPURZRBV-UHFFFAOYSA-N 0 0 385.537 3.823 10 0 GHAERN C[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000117955721 886396908 /nfs/dbraw/zinc/39/69/08/886396908.db2.gz QEKROUNTEZSAPH-CQSZACIVSA-N 0 0 390.530 3.712 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000119091182 886425795 /nfs/dbraw/zinc/42/57/95/886425795.db2.gz VGNHFMZIENOMJS-ZRFOIIEFSA-N 0 0 391.858 3.753 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2nn(CC(C)C)cc2C(F)F)C1 ZINC000119952687 886491384 /nfs/dbraw/zinc/49/13/84/886491384.db2.gz GBTHWFQQWXPFTN-AWEZNQCLSA-N 0 0 379.455 3.713 10 0 GHAERN Cc1noc([C@@H](NC(=O)N[C@@H]2c3ccccc3CCC2(C)C)C2CCOCC2)n1 ZINC000332790378 886544765 /nfs/dbraw/zinc/54/47/65/886544765.db2.gz LFYLKCJIWAJZOG-RBUKOAKNSA-N 0 0 398.507 3.859 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000122542434 886592373 /nfs/dbraw/zinc/59/23/73/886592373.db2.gz UIASSRVIFVKKCZ-PXNSSMCTSA-N 0 0 385.508 3.592 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2C(=O)NC3(CCCCCCC3)C2=O)o1 ZINC000124060416 886702232 /nfs/dbraw/zinc/70/22/32/886702232.db2.gz COWHZIPPRBKZDF-UHFFFAOYSA-N 0 0 382.464 3.504 10 0 GHAERN CCCO[C@@H]1CCCN(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CC1 ZINC000124489976 886755052 /nfs/dbraw/zinc/75/50/52/886755052.db2.gz UJFXNDUSNZOZJJ-QAPCUYQASA-N 0 0 390.459 3.597 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)Cc2ccc(F)c(F)c2)c2ccccc2F)no1 ZINC000124485066 886755347 /nfs/dbraw/zinc/75/53/47/886755347.db2.gz AZCJJCYLSYDHLF-QGZVFWFLSA-N 0 0 390.365 3.726 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCc2ccc(F)cc2)c2ccccc2F)no1 ZINC000124675972 886782064 /nfs/dbraw/zinc/78/20/64/886782064.db2.gz SXTPVYQZSBKUQN-SFHVURJKSA-N 0 0 386.402 3.630 10 0 GHAERN O=C(NC1C2CC3CC(C2)CC1C3)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000127264241 887044546 /nfs/dbraw/zinc/04/45/46/887044546.db2.gz PANXHCFUQWYXSJ-UHFFFAOYSA-N 0 0 387.568 3.635 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccn1)N1CC=C(c2ccccc2F)CC1 ZINC000127382324 887056232 /nfs/dbraw/zinc/05/62/32/887056232.db2.gz JQGZBYUQORZSNJ-UHFFFAOYSA-N 0 0 377.423 3.787 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN[C@H]3CCCC[C@@H]3n3cccn3)s2)cc1 ZINC000128031852 887138579 /nfs/dbraw/zinc/13/85/79/887138579.db2.gz TYZDGJGWZSWCSX-IRXDYDNUSA-N 0 0 396.520 3.569 10 0 GHAERN COc1ccccc1NC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1 ZINC000128918538 887242385 /nfs/dbraw/zinc/24/23/85/887242385.db2.gz JOJDGLAXCQNLNI-WOJBJXKFSA-N 0 0 392.499 3.984 10 0 GHAERN COc1cccc2c1CCCCN2C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000129201490 887271127 /nfs/dbraw/zinc/27/11/27/887271127.db2.gz RVPMEBLXMWQIAM-UHFFFAOYSA-N 0 0 378.472 3.801 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCCCn1c(C)nc2ccccc21 ZINC000105085190 887527882 /nfs/dbraw/zinc/52/78/82/887527882.db2.gz IDGCECUHGZLJCP-UHFFFAOYSA-N 0 0 379.508 3.794 10 0 GHAERN COc1cc(-c2noc(CNC3(c4cccc(F)c4)CCOCC3)n2)ccc1C ZINC000133376637 887754885 /nfs/dbraw/zinc/75/48/85/887754885.db2.gz NHBRABZTOODRNL-UHFFFAOYSA-N 0 0 397.450 3.988 10 0 GHAERN CCCc1sc(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1CC ZINC000134311076 887859078 /nfs/dbraw/zinc/85/90/78/887859078.db2.gz YDBMTBRFCYYPLF-YJBOKZPZSA-N 0 0 375.538 3.582 10 0 GHAERN COc1ccc(CCCCCC(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1 ZINC000134308505 887859114 /nfs/dbraw/zinc/85/91/14/887859114.db2.gz XZHOJJHVIHFKFM-KNQAVFIVSA-N 0 0 399.535 3.504 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3CCC[C@H]([C@H](O)c4nccn4C)C3)o2)cc1 ZINC000134372367 887863822 /nfs/dbraw/zinc/86/38/22/887863822.db2.gz FLVAYWSMZYLDQB-RXVVDRJESA-N 0 0 393.487 3.828 10 0 GHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134383739 887865836 /nfs/dbraw/zinc/86/58/36/887865836.db2.gz VAQZRSDWABMYEE-CXAGYDPISA-N 0 0 387.480 3.668 10 0 GHAERN CC(C)[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc2ccccc2[nH]1 ZINC000054518061 888278891 /nfs/dbraw/zinc/27/88/91/888278891.db2.gz AKNOJZZKIIDEQP-HKUYNNGSSA-N 0 0 394.500 3.879 10 0 GHAERN C[C@H](Cc1ccccc1F)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000054621329 888282693 /nfs/dbraw/zinc/28/26/93/888282693.db2.gz XPBWEFYQDHKABF-QGZVFWFLSA-N 0 0 389.515 3.581 10 0 GHAERN C=CC(=O)Nc1cc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)ccc1F ZINC000136615201 888305715 /nfs/dbraw/zinc/30/57/15/888305715.db2.gz LRMWOJKDSYYCNA-GOSISDBHSA-N 0 0 396.422 3.585 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000105295850 888306122 /nfs/dbraw/zinc/30/61/22/888306122.db2.gz LXRAOTJYBAHCDE-CQSZACIVSA-N 0 0 394.585 3.523 10 0 GHAERN C[C@]1(C(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1(Cl)Cl ZINC000055646755 888327121 /nfs/dbraw/zinc/32/71/21/888327121.db2.gz QRXLMILRYTZWOV-MRXNPFEDSA-N 0 0 389.710 3.598 10 0 GHAERN CN1CC[C@H](CNC(=O)CCCc2nnc(-c3ccccc3)o2)c2ccccc21 ZINC000056047644 888347206 /nfs/dbraw/zinc/34/72/06/888347206.db2.gz BWRSCERMXSZKOR-GOSISDBHSA-N 0 0 390.487 3.799 10 0 GHAERN O=C(Nc1ccc2nc(C3CC3)sc2c1)NC1CCN(c2ncccn2)CC1 ZINC000058454246 888438570 /nfs/dbraw/zinc/43/85/70/888438570.db2.gz GBKWFKZSEMHENJ-UHFFFAOYSA-N 0 0 394.504 3.754 10 0 GHAERN Cc1cc(C)c(OCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)c1 ZINC000061546835 888490831 /nfs/dbraw/zinc/49/08/31/888490831.db2.gz PACDUHIAVILCAW-UHFFFAOYSA-N 0 0 386.536 3.632 10 0 GHAERN COc1cc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl ZINC000194367805 888578789 /nfs/dbraw/zinc/57/87/89/888578789.db2.gz VVXSKJNCMKDKAH-UHFFFAOYSA-N 0 0 393.915 3.995 10 0 GHAERN O=C(Cc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)C1 ZINC000303157977 888667171 /nfs/dbraw/zinc/66/71/71/888667171.db2.gz DRODCRKBUKBYIA-MOPGFXCFSA-N 0 0 397.544 3.678 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@](=O)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000245495685 888797131 /nfs/dbraw/zinc/79/71/31/888797131.db2.gz PYRSYOVPMCSSRL-KSRHRBNTSA-N 0 0 391.537 3.940 10 0 GHAERN COc1cc(-c2nc(CN3CC[C@H](C)[C@H](n4ccnc4)C3)cs2)ccc1O ZINC000245583514 888996952 /nfs/dbraw/zinc/99/69/52/888996952.db2.gz JKLBVTBKWHLVAH-WMLDXEAASA-N 0 0 384.505 3.804 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cs2)cc1 ZINC000245724987 889470614 /nfs/dbraw/zinc/47/06/14/889470614.db2.gz ABJMRFGUEGFJQK-DUXKGJEZSA-N 0 0 398.528 3.647 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000245957600 890075500 /nfs/dbraw/zinc/07/55/00/890075500.db2.gz CVYNOZKBRCGSBD-BZSNNMDCSA-N 0 0 392.862 3.589 10 0 GHAERN C[C@@H]1CCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)[C@H](c2ccco2)C1 ZINC000245990461 890138191 /nfs/dbraw/zinc/13/81/91/890138191.db2.gz HUSDYOMQQNOZJV-NXHRZFHOSA-N 0 0 390.505 3.548 10 0 GHAERN O=C(Nc1cccc(CN2CCCCC2=O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246236664 890796894 /nfs/dbraw/zinc/79/68/94/890796894.db2.gz GBCXTOCCSNBFIF-CEWLAPEOSA-N 0 0 397.519 3.668 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1)c1ccncc1 ZINC000066592820 891124564 /nfs/dbraw/zinc/12/45/64/891124564.db2.gz BTFYSNZDEHLBPE-FIRPJDEBSA-N 0 0 377.488 3.732 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1)c1ccncc1 ZINC000067589996 891158221 /nfs/dbraw/zinc/15/82/21/891158221.db2.gz AKZSZQLMAAHYTJ-DYVFJYSZSA-N 0 0 390.281 3.688 10 0 GHAERN CC[C@H](NC(=O)N1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000246545650 891284155 /nfs/dbraw/zinc/28/41/55/891284155.db2.gz KCDFMHIBLJBBOW-AQNXPRMDSA-N 0 0 381.476 3.521 10 0 GHAERN Fc1ccc(OCc2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246548485 891285429 /nfs/dbraw/zinc/28/54/29/891285429.db2.gz AWJFLBFKZXVABH-IAGOWNOFSA-N 0 0 380.510 3.568 10 0 GHAERN O=C(CN1CC[C@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605236 891291254 /nfs/dbraw/zinc/29/12/54/891291254.db2.gz DFRHBQSVEADFAQ-YVEFUNNKSA-N 0 0 390.833 3.924 10 0 GHAERN O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246661525 891296781 /nfs/dbraw/zinc/29/67/81/891296781.db2.gz CXOJKYDKEAXXSF-KSZLIROESA-N 0 0 398.463 3.605 10 0 GHAERN CC[C@H](Sc1ccccc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247055416 891340114 /nfs/dbraw/zinc/34/01/14/891340114.db2.gz BCSYMKWHZJWGSQ-QMMLZNLJSA-N 0 0 383.561 3.979 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1ccc2ccccc2n1 ZINC000247225063 891355843 /nfs/dbraw/zinc/35/58/43/891355843.db2.gz NKNMFGZWBRSXJE-PDPKKMBVSA-N 0 0 386.499 3.670 10 0 GHAERN O=C(N[C@@H]1CCC[C@H]2OCC[C@H]21)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000247279871 891362038 /nfs/dbraw/zinc/36/20/38/891362038.db2.gz GZLKHDLPRNQRFG-SGIREYDYSA-N 0 0 397.372 3.718 10 0 GHAERN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247644058 891389853 /nfs/dbraw/zinc/38/98/53/891389853.db2.gz VFKBVGCGMCFWSR-KCZVDYSFSA-N 0 0 389.499 3.938 10 0 GHAERN NC(=O)CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000247703142 891393341 /nfs/dbraw/zinc/39/33/41/891393341.db2.gz BDPJTJVDNFLGEH-UHFFFAOYSA-N 0 0 399.447 3.629 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2sccc2C)c2ccc(F)cc2C1 ZINC000248660581 891454729 /nfs/dbraw/zinc/45/47/29/891454729.db2.gz ZNEVXSTXVUALFN-FHWLQOOXSA-N 0 0 386.492 3.909 10 0 GHAERN C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000248865191 891476538 /nfs/dbraw/zinc/47/65/38/891476538.db2.gz AVOQPHMQFICQDA-MFMILTCTSA-N 0 0 391.508 3.878 10 0 GHAERN COc1cc(/C=C(/C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)c2ccccc2)ccc1O ZINC000249262174 891503144 /nfs/dbraw/zinc/50/31/44/891503144.db2.gz ZCSMLOMJCKFFKY-PYTDVLPCSA-N 0 0 379.456 3.625 10 0 GHAERN CN(C(=O)c1ccccc1NC(=O)N[C@@H]1C[C@@H]2OCCC[C@@H]12)C1CCCCC1 ZINC000251914268 891661779 /nfs/dbraw/zinc/66/17/79/891661779.db2.gz RXTKNBPEUSPSOV-DBVUQKKJSA-N 0 0 385.508 3.780 10 0 GHAERN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000252692564 891725237 /nfs/dbraw/zinc/72/52/37/891725237.db2.gz DAUWVLJQTFLKAW-JKSUJKDBSA-N 0 0 388.514 3.573 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000102898061 898045508 /nfs/dbraw/zinc/04/55/08/898045508.db2.gz QFNKGZQSEKRIPP-IBGZPJMESA-N 0 0 392.455 3.865 10 0 GHAERN Cc1cccc(NC(=O)COc2ccc(-c3noc([C@H]4CCCO4)n3)cc2)c1 ZINC000103352198 898086995 /nfs/dbraw/zinc/08/69/95/898086995.db2.gz CDQWVBICAKKEDU-GOSISDBHSA-N 0 0 379.416 3.914 10 0 GHAERN Cc1noc(CCNC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000103881499 898112229 /nfs/dbraw/zinc/11/22/29/898112229.db2.gz YWWUUPJYXLINGQ-NSHDSACASA-N 0 0 389.456 3.552 10 0 GHAERN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCC(N2CCCC2=O)CC1 ZINC000104624472 898153366 /nfs/dbraw/zinc/15/33/66/898153366.db2.gz HOIKGQCOZMHCJM-BQYQJAHWSA-N 0 0 383.879 3.515 10 0 GHAERN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)[C@@H]3CCc4ccccc43)c12 ZINC000333290409 901978404 /nfs/dbraw/zinc/97/84/04/901978404.db2.gz AIDQDYBZAPHIQV-PKOBYXMFSA-N 0 0 390.487 3.896 10 0 GHAERN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)[C@@H]3CCc4ccccc43)c12 ZINC000333290367 901978595 /nfs/dbraw/zinc/97/85/95/901978595.db2.gz AIDQDYBZAPHIQV-IEBWSBKVSA-N 0 0 390.487 3.896 10 0 GHAERN Cc1nc2cc(C(=O)N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)ccc2n1-c1ccccc1 ZINC000333687657 902271654 /nfs/dbraw/zinc/27/16/54/902271654.db2.gz AMRKZNFHNVQSHE-NLWGTHIKSA-N 0 0 375.472 3.567 10 0 GHAERN Cc1nc2ccccc2n1CCCOC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000103688056 905433834 /nfs/dbraw/zinc/43/38/34/905433834.db2.gz HSLVSHFKOYIMGV-KRWDZBQOSA-N 0 0 385.508 3.563 10 0 GHAERN CCc1ccc(C(=O)N2CCC(C(=O)N(CC)[C@@H]3CCOC(C)(C)C3)CC2)o1 ZINC000366025564 921288672 /nfs/dbraw/zinc/28/86/72/921288672.db2.gz XMBOZQUMEOZOQO-QGZVFWFLSA-N 0 0 390.524 3.500 10 0 GHAERN CC(=O)N(c1nc(CN2CCCC[C@H]2c2nc[nH]n2)cs1)c1ccc(C)cc1 ZINC000182709258 907254420 /nfs/dbraw/zinc/25/44/20/907254420.db2.gz BDFCCFUCPWIYQX-SFHVURJKSA-N 0 0 396.520 3.981 10 0 GHAERN O=C(Nc1cc(F)c(Br)cc1F)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183353553 907372033 /nfs/dbraw/zinc/37/20/33/907372033.db2.gz OEYOIXZXCDOYLL-LBPRGKRZSA-N 0 0 386.200 3.605 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)nn1-c1ccccc1Cl ZINC000184080671 907511204 /nfs/dbraw/zinc/51/12/04/907511204.db2.gz QYDYZARLVXZFIJ-HNNXBMFYSA-N 0 0 385.859 3.711 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CSc2nncn2-c2ccc(C)cc2)cs1 ZINC000187040768 908025785 /nfs/dbraw/zinc/02/57/85/908025785.db2.gz OLRYUAVIKWFFED-KRWDZBQOSA-N 0 0 399.545 3.796 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(COCC3CC3)c2)cs1 ZINC000189462264 908327990 /nfs/dbraw/zinc/32/79/90/908327990.db2.gz KNJSYVFQNBVXBA-IBGZPJMESA-N 0 0 399.516 3.680 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1 ZINC000190007209 908400815 /nfs/dbraw/zinc/40/08/15/908400815.db2.gz UKNLIRZUXXTPBF-VQIMIIECSA-N 0 0 399.397 3.925 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)C1 ZINC000190031533 908408314 /nfs/dbraw/zinc/40/83/14/908408314.db2.gz UTKHHXHMCIAFGE-AXAPSJFSSA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000190039178 908410164 /nfs/dbraw/zinc/41/01/64/908410164.db2.gz XFAHODIHKIWVSW-WOJBJXKFSA-N 0 0 377.444 3.576 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2occc2CSc2ccccc2)C1 ZINC000190057315 908414553 /nfs/dbraw/zinc/41/45/53/908414553.db2.gz IXDVIAZZLJXJKK-WBVHZDCISA-N 0 0 399.472 3.866 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2occc2CSc2ccccc2)C1 ZINC000190057294 908414789 /nfs/dbraw/zinc/41/47/89/908414789.db2.gz IXDVIAZZLJXJKK-RDJZCZTQSA-N 0 0 399.472 3.866 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccc(F)cc3)s2)C1 ZINC000190057940 908415907 /nfs/dbraw/zinc/41/59/07/908415907.db2.gz ZPQPRJWLJHMTCT-CABCVRRESA-N 0 0 387.436 3.848 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000190078937 908420582 /nfs/dbraw/zinc/42/05/82/908420582.db2.gz YKRRRPAXHPUYIA-UXHICEINSA-N 0 0 379.460 3.843 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000190113933 908429976 /nfs/dbraw/zinc/42/99/76/908429976.db2.gz VADGHXMOOTZGNB-MOPGFXCFSA-N 0 0 399.495 3.608 10 0 GHAERN O=C(Nc1cccc(Cl)c1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000191717023 908664014 /nfs/dbraw/zinc/66/40/14/908664014.db2.gz SULNOLSQAOBZGL-LLVKDONJSA-N 0 0 384.665 3.980 10 0 GHAERN Cc1c(Br)ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1F ZINC000194192590 908924636 /nfs/dbraw/zinc/92/46/36/908924636.db2.gz YWNKOKQIMLWDMS-GFCCVEGCSA-N 0 0 382.237 3.774 10 0 GHAERN CC(C)N(C)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1F ZINC000103762375 908977456 /nfs/dbraw/zinc/97/74/56/908977456.db2.gz NQQOAGLUTUXUMV-UHFFFAOYSA-N 0 0 388.834 3.552 10 0 GHAERN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC000720645685 978048903 /nfs/dbraw/zinc/04/89/03/978048903.db2.gz XMHDHQKAJBJGAK-RLAWYHOSSA-N 0 0 395.525 3.670 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184028889 1014571654 /nfs/dbraw/zinc/57/16/54/1014571654.db2.gz RZLWTICFVFWICX-SFTDATJTSA-N 0 0 398.482 3.807 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000185252308 1014576945 /nfs/dbraw/zinc/57/69/45/1014576945.db2.gz DKUOGMQQEFOPNW-VXKWHMMOSA-N 0 0 395.478 3.948 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2c2cccn2C)c2ccc(F)cc2C1 ZINC000185254049 1014577234 /nfs/dbraw/zinc/57/72/34/1014577234.db2.gz JSJLEPKRWGZNNO-FPOVZHCZSA-N 0 0 398.482 3.504 10 0 GHAERN COc1ccccc1[C@@H](C)CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528377 1014585600 /nfs/dbraw/zinc/58/56/00/1014585600.db2.gz WUIGJZZFMBWGBV-BTYIYWSLSA-N 0 0 398.478 3.938 10 0 GHAERN C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000504132061 231293240 /nfs/dbraw/zinc/29/32/40/231293240.db2.gz WKLORKLFLMTHHY-VHOGDTROSA-N 0 0 392.580 3.565 10 0 GHAERN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Oc1cccc(OC)c1 ZINC000001927246 212260118 /nfs/dbraw/zinc/26/01/18/212260118.db2.gz GXQQMMFNTYANOM-LBPRGKRZSA-N 0 0 377.462 3.956 10 0 GHAERN Nc1ncnc2oc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)c21 ZINC000003202641 212145711 /nfs/dbraw/zinc/14/57/11/212145711.db2.gz TXXBTZVCAYOJRS-UHFFFAOYSA-N 0 0 375.340 3.596 10 0 GHAERN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000014598284 212104801 /nfs/dbraw/zinc/10/48/01/212104801.db2.gz DPMIFMDJSVVAKS-YLJYHZDGSA-N 0 0 390.549 3.656 10 0 GHAERN O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000014598283 212104039 /nfs/dbraw/zinc/10/40/39/212104039.db2.gz DPMIFMDJSVVAKS-FXAWDEMLSA-N 0 0 390.549 3.656 10 0 GHAERN CCCC[C@](C)(O)C/C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000006757051 212082814 /nfs/dbraw/zinc/08/28/14/212082814.db2.gz OJLOPKGSLYJEMD-MQUTVTBKSA-N 0 0 382.541 3.954 10 0 in-vitro GHAERN CCC(=O)N1CCN(C(=O)c2cc3ccoc3n2[C@H](C)c2ccccc2)C[C@@H]1C ZINC000004807032 220765516 /nfs/dbraw/zinc/76/55/16/220765516.db2.gz GEHBDUIOLPHIFF-DLBZAZTESA-N 0 0 393.487 3.927 10 0 GHAERN O=C(NCC1CCOCC1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 ZINC000012099919 221150308 /nfs/dbraw/zinc/15/03/08/221150308.db2.gz MMQIPOQEVCDNKB-OAQYLSRUSA-N 0 0 378.472 3.506 10 0 GHAERN COC(=O)C(=CNc1ccc(Cl)cc1Cl)NC(=O)c1ccc(OC)cc1 ZINC000013470611 221268678 /nfs/dbraw/zinc/26/86/78/221268678.db2.gz ZWSKEQFSJGIUFZ-YBEGLDIGSA-N 0 0 395.242 3.858 10 0 GHAERN COc1cn(CC(=O)Nc2cccc(F)c2)c(CSc2ccccc2)cc1=O ZINC000015824536 221345719 /nfs/dbraw/zinc/34/57/19/221345719.db2.gz QTWZKSVCQRCYPW-UHFFFAOYSA-N 0 0 398.459 3.927 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1cccc(F)c1 ZINC000015920776 221352138 /nfs/dbraw/zinc/35/21/38/221352138.db2.gz BNIANQZUGUZEIX-OAQYLSRUSA-N 0 0 395.434 3.806 10 0 GHAERN O=C(NC1CCCC1)[C@H]1CCCN(c2ncccc2-c2noc(C3CCC3)n2)C1 ZINC000065227918 136160542 /nfs/dbraw/zinc/16/05/42/136160542.db2.gz WZHALTJMBXTNHN-INIZCTEOSA-N 0 0 395.507 3.674 10 0 GHAERN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000103581396 136191202 /nfs/dbraw/zinc/19/12/02/136191202.db2.gz SJSJFFFPGAOERB-QRFQSNJMSA-N 0 0 379.460 3.579 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@@H](COc3ccc(Cl)c(C)c3)C2)cc(Cl)n1 ZINC000022622976 221565053 /nfs/dbraw/zinc/56/50/53/221565053.db2.gz KPFJDHKMRHWLAT-MRXNPFEDSA-N 0 0 395.286 3.925 10 0 GHAERN COc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)c(OC)c1OC ZINC000030468098 221699663 /nfs/dbraw/zinc/69/96/63/221699663.db2.gz QVMAQFQYJJJHLU-LLVKDONJSA-N 0 0 394.265 3.966 10 0 GHAERN Cc1nn(C)c2nc(OCC(=O)N[C@H](C)c3ccccc3)cc(C(F)(F)F)c12 ZINC000045991471 221968226 /nfs/dbraw/zinc/96/82/26/221968226.db2.gz SFAGJRVNTWPKAT-LLVKDONJSA-N 0 0 392.381 3.552 10 0 GHAERN O=C(c1cnc2ccccc2c1)N1CCc2[nH]nc(COc3ccccc3)c2C1 ZINC000048194375 221981594 /nfs/dbraw/zinc/98/15/94/221981594.db2.gz NUCHUIXQNJZDBE-UHFFFAOYSA-N 0 0 384.439 3.735 10 0 GHAERN COCCN(Cc1ccc2cc(NC(C)=O)ccc2n1)Cc1ccccc1F ZINC000055281396 222017790 /nfs/dbraw/zinc/01/77/90/222017790.db2.gz UWMCRNFIGRPTGM-UHFFFAOYSA-N 0 0 381.451 3.981 10 0 GHAERN O=C(Cc1cccs1)N[C@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1 ZINC000065203046 222110365 /nfs/dbraw/zinc/11/03/65/222110365.db2.gz CJRLFGIBWSGQBJ-GOSISDBHSA-N 0 0 396.516 3.764 10 0 GHAERN COc1cc2nncc(-n3ncc4c3cccc4Br)c2cc1OC ZINC000071624977 222184919 /nfs/dbraw/zinc/18/49/19/222184919.db2.gz JQOSOPWZYUXGRP-UHFFFAOYSA-N 0 0 385.221 3.748 10 0 GHAERN O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Cl)c2)c2[nH]ccc21 ZINC000089213084 222327978 /nfs/dbraw/zinc/32/79/78/222327978.db2.gz RYOFUUUJOIUOEV-UHFFFAOYSA-N 0 0 384.867 3.538 10 0 GHAERN CNc1nc2ccccc2nc1N(C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075762 222328468 /nfs/dbraw/zinc/32/84/68/222328468.db2.gz JZHGVSXVTIKABO-OAHLLOKOSA-N 0 0 385.512 3.897 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1C[S@](=O)c1nc2ccccc2nc1Cl ZINC000095086031 222330343 /nfs/dbraw/zinc/33/03/43/222330343.db2.gz HPNQKURYBKTCOH-MZHQLVBMSA-N 0 0 395.912 3.790 10 0 GHAERN CC[C@H](CN(C)C(=O)OCc1ccccc1)n1c(C(C)=O)nc2cccnc21 ZINC000095089601 222330970 /nfs/dbraw/zinc/33/09/70/222330970.db2.gz RJLWCWPWELJMCO-QGZVFWFLSA-N 0 0 380.448 3.854 10 0 GHAERN CCOc1nc2ccccc2nc1N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095091758 222330987 /nfs/dbraw/zinc/33/09/87/222330987.db2.gz AIBZHHDPSCLTLH-OAHLLOKOSA-N 0 0 386.496 3.722 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H](C[S@@](=O)Cc2cnc(Cl)s2)C1 ZINC000095085658 222331027 /nfs/dbraw/zinc/33/10/27/222331027.db2.gz OGJOCMWFKCLPBY-RULNZOCKSA-N 0 0 378.947 3.692 10 0 GHAERN Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)ccn1 ZINC000095937782 222361566 /nfs/dbraw/zinc/36/15/66/222361566.db2.gz AWPKHOIALDBUND-UHFFFAOYSA-N 0 0 384.848 3.571 10 0 GHAERN CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccs3)C2)ncn1 ZINC000065242456 535193364 /nfs/dbraw/zinc/19/33/64/535193364.db2.gz YVDOHBSQOPMKML-MRXNPFEDSA-N 0 0 387.553 3.673 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)C3CC3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885275 570471873 /nfs/dbraw/zinc/47/18/73/570471873.db2.gz XFBHJDCNSSVLRV-CYBMUJFWSA-N 0 0 384.863 3.998 10 0 GHAERN Cc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4Cl)c(=O)n3n2)cc1 ZINC000034965965 570548754 /nfs/dbraw/zinc/54/87/54/570548754.db2.gz UMHYAKCHRGWRLM-OVCLIPMQSA-N 0 0 388.279 3.981 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CC[C@H](C)C[C@H]23)cc1OC ZINC000006738622 570560022 /nfs/dbraw/zinc/56/00/22/570560022.db2.gz CUYNIOKCFPJHJQ-FIKMYACPSA-N 0 0 394.471 3.680 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(C(=O)Nc1cccnc1)CC2 ZINC000275809795 570699888 /nfs/dbraw/zinc/69/98/88/570699888.db2.gz UCPTYBPEBQEHOO-GOSISDBHSA-N 0 0 384.505 3.578 10 0 GHAERN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065260047 570761969 /nfs/dbraw/zinc/76/19/69/570761969.db2.gz HYVZGNYABJOVFO-QFIPXVFZSA-N 0 0 377.492 3.600 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@H]1COc2ccccc21 ZINC000189674347 570772580 /nfs/dbraw/zinc/77/25/80/570772580.db2.gz CIOCVPPSYRNIDF-SJLPKXTDSA-N 0 0 378.472 3.829 10 0 GHAERN O=C(NC[C@H]1CCCO1)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000035502464 570790486 /nfs/dbraw/zinc/79/04/86/570790486.db2.gz UEKUDHIQLPYKFG-LJQANCHMSA-N 0 0 392.434 3.935 10 0 GHAERN O=C(N[C@H]1C[C@@H]2C[C@H]1N(C(=O)Nc1ccc(Cl)cc1F)C2)c1cccs1 ZINC000097112328 570896926 /nfs/dbraw/zinc/89/69/26/570896926.db2.gz LQOGCWDELJDDRK-WKPIXPDZSA-N 0 0 393.871 3.965 10 0 GHAERN COc1ccc(OC[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)CCO2)cc1 ZINC000037605984 571038163 /nfs/dbraw/zinc/03/81/63/571038163.db2.gz IXBDQZKZLURUQK-INIZCTEOSA-N 0 0 396.270 3.922 10 0 GHAERN CC(C)(CNC(=O)N1CCC(n2cncn2)CC1)c1c(Cl)cccc1Cl ZINC000105260888 837527846 /nfs/dbraw/zinc/52/78/46/837527846.db2.gz JYXRLXROTLEARP-UHFFFAOYSA-N 0 0 396.322 3.909 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1nccs1 ZINC000105995328 837673664 /nfs/dbraw/zinc/67/36/64/837673664.db2.gz RIKAKUBOKVVBRO-QMTHXVAHSA-N 0 0 398.315 3.932 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000156557570 834436278 /nfs/dbraw/zinc/43/62/78/834436278.db2.gz SWKMFCPBBZAPOD-FQEVSTJZSA-N 0 0 384.524 3.552 10 0 GHAERN CC(C)CCO[C@@H]1CCN(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245930388 834764133 /nfs/dbraw/zinc/76/41/33/834764133.db2.gz SHKQYSPYBJJPHU-MNEFBYGVSA-N 0 0 382.451 3.641 10 0 GHAERN COc1ccccc1C/C(C)=C\C(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000588612721 834874067 /nfs/dbraw/zinc/87/40/67/834874067.db2.gz CAPMHCXTNTWZHL-UGEDRFTOSA-N 0 0 398.469 3.963 10 0 GHAERN CC(C)(C)OC(=O)NCCc1nc(C(=O)NC/C=C\c2ccccc2)cs1 ZINC000588613086 834891618 /nfs/dbraw/zinc/89/16/18/834891618.db2.gz RXLFAZIDEDVFCY-YFHOEESVSA-N 0 0 387.505 3.654 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@H]3CCN(c4ccccc4Cl)C3=O)C2)no1 ZINC000329353821 834894064 /nfs/dbraw/zinc/89/40/64/834894064.db2.gz GFCLPAWZEZHPBS-PBHICJAKSA-N 0 0 388.899 3.831 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H](C)OC[C@H]3CCCCO3)C2)n1 ZINC000246896181 835126243 /nfs/dbraw/zinc/12/62/43/835126243.db2.gz XLIXYHWPJBGGCF-GVDBMIGSSA-N 0 0 380.554 3.947 10 0 GHAERN CCOc1ccccc1OCCCC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000157871284 835132027 /nfs/dbraw/zinc/13/20/27/835132027.db2.gz WVKIWDXGQYPCEF-UHFFFAOYSA-N 0 0 397.519 3.733 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c2ccccc2O1 ZINC000121932774 835171333 /nfs/dbraw/zinc/17/13/33/835171333.db2.gz IBYSOCBEMYHXKQ-HOTGVXAUSA-N 0 0 384.501 3.771 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000158337722 835332391 /nfs/dbraw/zinc/33/23/91/835332391.db2.gz FWYNKVCSZMYGRI-MJGOQNOKSA-N 0 0 379.485 3.989 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC(Cn2cccn2)CC1 ZINC000158444289 835379538 /nfs/dbraw/zinc/37/95/38/835379538.db2.gz VNQNBJMCASUBAV-UHFFFAOYSA-N 0 0 398.898 3.725 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)N2CC[C@@H](O)CC23CCC3)C1 ZINC000333133033 844054119 /nfs/dbraw/zinc/05/41/19/844054119.db2.gz BDSBFOLOHZIXAI-KZNAEPCWSA-N 0 0 399.535 3.716 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(NC(=O)C4CC4)cc3)CCO2)o1 ZINC000159223262 835775934 /nfs/dbraw/zinc/77/59/34/835775934.db2.gz PPFDLEWBQMEQKV-YWZLYKJASA-N 0 0 397.475 3.781 10 0 GHAERN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1Cl ZINC000246129520 835969323 /nfs/dbraw/zinc/96/93/23/835969323.db2.gz KTNFTNZEJFNOBZ-MUJYYYPQSA-N 0 0 393.915 3.528 10 0 GHAERN C[C@@H]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)C[C@@H](C)C1 ZINC000246295959 836172228 /nfs/dbraw/zinc/17/22/28/836172228.db2.gz GDMFZFHWRLCSSA-IKGGRYGDSA-N 0 0 375.488 3.964 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000253354340 844164280 /nfs/dbraw/zinc/16/42/80/844164280.db2.gz WNEPDYOYGFRRJG-YJLNNSPDSA-N 0 0 387.480 3.566 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)CC2CCCCC2)n1 ZINC000332702096 836469967 /nfs/dbraw/zinc/46/99/67/836469967.db2.gz STXOWJIIBUBIOC-DOTOQJQBSA-N 0 0 377.554 3.980 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000332802497 836659033 /nfs/dbraw/zinc/65/90/33/836659033.db2.gz ZOVOJVGSDLIIAU-UAOJZALGSA-N 0 0 382.508 3.758 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@H](C)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000248898551 836699885 /nfs/dbraw/zinc/69/98/85/836699885.db2.gz KGFDEJHIRVNAPA-YNEHKIRRSA-N 0 0 387.307 3.938 10 0 GHAERN C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)n1ccc2ccccc2c1=O ZINC000332841894 836737270 /nfs/dbraw/zinc/73/72/70/836737270.db2.gz LRKQCYPGKHRYAE-KXBFYZLASA-N 0 0 376.456 3.981 10 0 GHAERN COc1cc(Br)cc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000408047326 837888360 /nfs/dbraw/zinc/88/83/60/837888360.db2.gz GGMGFBFZPYAECQ-YVEFUNNKSA-N 0 0 383.286 3.617 10 0 GHAERN CCOc1ccccc1C(=O)N1CCC(NC(=O)N2CCC[C@H](C3CC3)C2)CC1 ZINC000378096780 838423439 /nfs/dbraw/zinc/42/34/39/838423439.db2.gz RTQGIHQBGCBKDN-SFHVURJKSA-N 0 0 399.535 3.522 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Br)ccc32)cn1 ZINC000408032819 838927993 /nfs/dbraw/zinc/92/79/93/838927993.db2.gz CKSYZZLKWGUFFU-SJORKVTESA-N 0 0 389.297 3.717 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)oc2c1c(C)ccc2C ZINC000111662066 839295529 /nfs/dbraw/zinc/29/55/29/839295529.db2.gz RMXMOIBLMKSFLT-INIZCTEOSA-N 0 0 386.517 3.538 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N(c1cccc(F)c1)C1CCOCC1 ZINC000588389459 840226024 /nfs/dbraw/zinc/22/60/24/840226024.db2.gz XDSNDFPYQQBYKI-HJWRWDBZSA-N 0 0 377.419 3.994 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000332674597 844536356 /nfs/dbraw/zinc/53/63/56/844536356.db2.gz BDFDPRNYNDDITL-FMKPAKJESA-N 0 0 389.462 3.730 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC[C@H](c3nncn3C(C)C)C2)ccc1OC ZINC000109998777 840584247 /nfs/dbraw/zinc/58/42/47/840584247.db2.gz PQEORRZROGVQIR-CKDFRHGISA-N 0 0 398.507 3.686 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cn1 ZINC000332771647 844560451 /nfs/dbraw/zinc/56/04/51/844560451.db2.gz GRSNMPYNZSXENU-PVAVHDDUSA-N 0 0 378.398 3.842 10 0 GHAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222746 840805665 /nfs/dbraw/zinc/80/56/65/840805665.db2.gz PQPCZXLACUJXGL-MRXNPFEDSA-N 0 0 391.313 3.538 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl ZINC000106368788 840929353 /nfs/dbraw/zinc/92/93/53/840929353.db2.gz ZSYRCHUFKIMQDY-CYBMUJFWSA-N 0 0 388.320 3.870 10 0 GHAERN CC(=O)N(c1nnc(SCc2noc(-c3ccc(F)cc3)n2)s1)C1CC1 ZINC000025772995 844596861 /nfs/dbraw/zinc/59/68/61/844596861.db2.gz KKTHCTFXSQJSFB-UHFFFAOYSA-N 0 0 391.453 3.535 10 0 GHAERN CN1CCCc2cc(NC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)ccc21 ZINC000145003414 844603952 /nfs/dbraw/zinc/60/39/52/844603952.db2.gz IPCVKRBGPRQMPE-KRWDZBQOSA-N 0 0 390.491 3.523 10 0 GHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)NC1CCN(c2nccs2)CC1 ZINC000332831676 844602714 /nfs/dbraw/zinc/60/27/14/844602714.db2.gz RUJTTXXCPPZJKJ-OCCSQVGLSA-N 0 0 390.475 3.780 10 0 GHAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N1CCc2ccc(Cl)cc21 ZINC000120266694 841454350 /nfs/dbraw/zinc/45/43/50/841454350.db2.gz XKGWQXLSMJCCJM-KRWDZBQOSA-N 0 0 375.900 3.593 10 0 GHAERN Oc1cccc(CN(Cc2nc(-c3ccsc3)no2)C2CCC(O)CC2)c1 ZINC000109326860 841645854 /nfs/dbraw/zinc/64/58/54/841645854.db2.gz RRGRCJTUIXEZEW-UHFFFAOYSA-N 0 0 385.489 3.809 10 0 GHAERN CN(C(=O)c1cccc(OC2CCCCC2)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000121038519 841887321 /nfs/dbraw/zinc/88/73/21/841887321.db2.gz YIAOWVIVRNOCSX-IBGZPJMESA-N 0 0 394.519 3.929 10 0 GHAERN CCN(CC)C(=O)CCC1CCN(C(=O)/C=C\c2cnc3ccccc3n2)CC1 ZINC000588422950 841938591 /nfs/dbraw/zinc/93/85/91/841938591.db2.gz JTMWOMVZSXPDSM-BENRWUELSA-N 0 0 394.519 3.530 10 0 GHAERN CCOC(=O)COc1ccc(NC(=O)/C=C\c2ccnc3ccccc23)cc1 ZINC000588427786 842202139 /nfs/dbraw/zinc/20/21/39/842202139.db2.gz FHPGFFXJFLLZCW-GHXNOFRVSA-N 0 0 376.412 3.829 10 0 GHAERN O=C(Oc1ccc(Br)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000025720729 842206566 /nfs/dbraw/zinc/20/65/66/842206566.db2.gz NFOQQJSZXSVFQQ-UHFFFAOYSA-N 0 0 394.290 3.968 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408192605 842245720 /nfs/dbraw/zinc/24/57/20/842245720.db2.gz OEKQGCVOZGJDAA-OMQSBVIBSA-N 0 0 392.927 3.895 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247431930 842302625 /nfs/dbraw/zinc/30/26/25/842302625.db2.gz NUKHZKPNMIBFIF-XWPNQZOQSA-N 0 0 385.508 3.780 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(Cl)ccc1OC(F)F ZINC000588434317 842482273 /nfs/dbraw/zinc/48/22/73/842482273.db2.gz CVMIUQAVJXSDON-PLNGDYQASA-N 0 0 390.814 3.752 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000588434462 842494712 /nfs/dbraw/zinc/49/47/12/842494712.db2.gz KPRWLNUYZDQQTO-SREVYHEPSA-N 0 0 391.468 3.760 10 0 GHAERN CC(C)(C)OC(=O)NCC=CCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000588434575 842511021 /nfs/dbraw/zinc/51/10/21/842511021.db2.gz ORNVAEFWNANLMF-SREVYHEPSA-N 0 0 390.871 3.541 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000111784286 842553563 /nfs/dbraw/zinc/55/35/63/842553563.db2.gz WVLOSUMLZIVINB-KRWDZBQOSA-N 0 0 395.434 3.718 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1csc([C@@H]3CCCO3)n1)CCCC2 ZINC000279202607 842704158 /nfs/dbraw/zinc/70/41/58/842704158.db2.gz MVZDENXTXIYNFL-IRXDYDNUSA-N 0 0 386.521 3.584 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1F ZINC000588441114 842751331 /nfs/dbraw/zinc/75/13/31/842751331.db2.gz WMNDDVKQUUYIRT-ZSMUJPCHSA-N 0 0 380.423 3.696 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c2ccccc21 ZINC000162826073 842871778 /nfs/dbraw/zinc/87/17/78/842871778.db2.gz RAVIHGPVYRMBHA-UZLBHIALSA-N 0 0 377.488 3.689 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1C ZINC000408366389 842899787 /nfs/dbraw/zinc/89/97/87/842899787.db2.gz LUXKZAYRMWUMJF-GUDVDZBRSA-N 0 0 378.538 3.506 10 0 GHAERN Cc1ccc(-c2[nH]nc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)c2C)o1 ZINC000161532978 843096856 /nfs/dbraw/zinc/09/68/56/843096856.db2.gz LGRNZGZVFQWADD-HNNXBMFYSA-N 0 0 382.445 3.728 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CSc2nccc3ccccc32)c2ccccc2)[nH]1 ZINC000162055855 843194093 /nfs/dbraw/zinc/19/40/93/843194093.db2.gz RZYWNCRNXHUILP-IBGZPJMESA-N 0 0 389.484 3.659 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC000588451997 843307603 /nfs/dbraw/zinc/30/76/03/843307603.db2.gz BGIQTFNGNKRMTJ-HJWRWDBZSA-N 0 0 377.366 3.563 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000588455552 843357234 /nfs/dbraw/zinc/35/72/34/843357234.db2.gz VJLUNXBRMQWYSS-QXPKXGMISA-N 0 0 375.513 3.801 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000408395542 843470446 /nfs/dbraw/zinc/47/04/46/843470446.db2.gz NKKVVDUEOJGFOT-DLBZAZTESA-N 0 0 375.423 3.636 10 0 GHAERN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408249026 843586463 /nfs/dbraw/zinc/58/64/63/843586463.db2.gz YFXQKDZPJNHPMX-IBGZPJMESA-N 0 0 389.908 3.514 10 0 GHAERN C[C@@H]1CCCN(c2cc(N3CCC[C@H](c4nc(C(F)(F)F)c[nH]4)C3)ncn2)C1 ZINC000333368274 845074404 /nfs/dbraw/zinc/07/44/04/845074404.db2.gz VSHREQUTTXYCOY-KGLIPLIRSA-N 0 0 394.445 3.839 10 0 GHAERN CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3Cn3ccnc3)c2)n1 ZINC000151347594 845191858 /nfs/dbraw/zinc/19/18/58/845191858.db2.gz BHTHOLVLXMBIOT-INIZCTEOSA-N 0 0 380.452 3.500 10 0 GHAERN O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000332980943 845259300 /nfs/dbraw/zinc/25/93/00/845259300.db2.gz UHGWXIAWVBYSPC-IXDOHACOSA-N 0 0 397.441 3.628 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)C1 ZINC000248984641 845486268 /nfs/dbraw/zinc/48/62/68/845486268.db2.gz UUJPLPMLTWBCEB-KYJSFNMBSA-N 0 0 387.480 3.566 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000152206658 846390417 /nfs/dbraw/zinc/39/04/17/846390417.db2.gz ZLUAXWFSEKDJNR-SJORKVTESA-N 0 0 389.521 3.608 10 0 GHAERN CCC(=O)c1cccc(NC(=O)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000152538057 847280681 /nfs/dbraw/zinc/28/06/81/847280681.db2.gz FMWDOOVAGBGUSY-UHFFFAOYSA-N 0 0 385.489 3.721 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3nc(-c4ccoc4)no3)C2)cc1 ZINC000152655909 847482129 /nfs/dbraw/zinc/48/21/29/847482129.db2.gz ICYLGOALYWJSQJ-YOEHRIQHSA-N 0 0 381.432 3.675 10 0 GHAERN CCCOc1cccc(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000152986111 847975424 /nfs/dbraw/zinc/97/54/24/847975424.db2.gz XZBTXHKBHFRWPS-UHFFFAOYSA-N 0 0 386.536 3.659 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 ZINC000153132413 848160490 /nfs/dbraw/zinc/16/04/90/848160490.db2.gz RETXGZHNBZKIBX-INIZCTEOSA-N 0 0 397.519 3.706 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000153626427 848789353 /nfs/dbraw/zinc/78/93/53/848789353.db2.gz BPRVMWUNTCKYFQ-HIFRSBDPSA-N 0 0 381.432 3.550 10 0 GHAERN C[C@@H](NC(=O)NC1CCN(c2cccs2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000153747040 848973444 /nfs/dbraw/zinc/97/34/44/848973444.db2.gz GHOCOTBGFVEHKZ-CQSZACIVSA-N 0 0 398.532 3.662 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)CCO2)o1 ZINC000153816473 849044400 /nfs/dbraw/zinc/04/44/00/849044400.db2.gz MVQXHDUZKNQPSA-HXUWFJFHSA-N 0 0 397.475 3.738 10 0 GHAERN O=c1cc(N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)nc2ccccn12 ZINC000154420809 849293999 /nfs/dbraw/zinc/29/39/99/849293999.db2.gz NJVSBUMGEVFCCT-NSHDSACASA-N 0 0 380.395 3.554 10 0 GHAERN O=C(COc1ccc2ccccc2c1)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044453910 849501265 /nfs/dbraw/zinc/50/12/65/849501265.db2.gz GFKYKCANJKSQDT-UHFFFAOYSA-N 0 0 395.484 3.552 10 0 GHAERN COc1cc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)ccc1F ZINC000155464635 849523513 /nfs/dbraw/zinc/52/35/13/849523513.db2.gz SCICEIDIISIDDI-LHUXKHBRSA-N 0 0 393.418 3.865 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)C2)c1 ZINC000155521784 849545739 /nfs/dbraw/zinc/54/57/39/849545739.db2.gz BNOWEUPOYYPYKP-UGSOOPFHSA-N 0 0 388.489 3.642 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CCC[C@H]2c2ccco2)nn1-c1cccc(Cl)c1 ZINC000156198163 849799652 /nfs/dbraw/zinc/79/96/52/849799652.db2.gz DUFKJFWCYGWTKQ-INIZCTEOSA-N 0 0 383.835 3.765 10 0 GHAERN COc1cc(CN(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1SC ZINC000101547117 851669707 /nfs/dbraw/zinc/66/97/07/851669707.db2.gz QRILWBGBWKEAKP-AWEZNQCLSA-N 0 0 390.471 3.650 10 0 GHAERN CCCN(CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549126 851671308 /nfs/dbraw/zinc/67/13/08/851671308.db2.gz YOOMPPFJPGCNBZ-HOTGVXAUSA-N 0 0 399.457 3.527 10 0 GHAERN O=S(=O)(NCCc1coc(-c2ccc(F)cc2)n1)c1ccc(Cl)s1 ZINC000101582156 851691834 /nfs/dbraw/zinc/69/18/34/851691834.db2.gz ZBWPZKJPBUBHHB-UHFFFAOYSA-N 0 0 386.857 3.717 10 0 GHAERN CCS(=O)(=O)c1ccc(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1 ZINC000101742111 851864056 /nfs/dbraw/zinc/86/40/56/851864056.db2.gz JMPKILUKPBFFNC-UHFFFAOYSA-N 0 0 390.505 3.770 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c(C)c1 ZINC000101747985 851866975 /nfs/dbraw/zinc/86/69/75/851866975.db2.gz OHQXFCWFCDLVPA-MRXNPFEDSA-N 0 0 375.513 3.798 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCCn2ccc3ccccc32)CC1 ZINC000101765772 851875755 /nfs/dbraw/zinc/87/57/55/851875755.db2.gz MCPDMZZIOOEYET-GOSISDBHSA-N 0 0 398.551 3.614 10 0 GHAERN O=C(Nc1ccccn1)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F ZINC000101853645 851938024 /nfs/dbraw/zinc/93/80/24/851938024.db2.gz OVCGHOGRGJVFGC-KKXDTOCCSA-N 0 0 385.414 3.772 10 0 GHAERN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000101839552 851946562 /nfs/dbraw/zinc/94/65/62/851946562.db2.gz IAKGLQPJDRHYMN-UHFFFAOYSA-N 0 0 384.426 3.874 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC000102009229 852087912 /nfs/dbraw/zinc/08/79/12/852087912.db2.gz WZIQMUXZSCWXGC-QGZVFWFLSA-N 0 0 381.520 3.922 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)[C@H]3CCCO[C@H]3c3ccc(C)cc3)C2)n1 ZINC000329846340 862369013 /nfs/dbraw/zinc/36/90/13/862369013.db2.gz YFBNCOIOBZRJRX-BVSLBCMMSA-N 0 0 396.535 3.610 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]1O ZINC000333963250 853279851 /nfs/dbraw/zinc/27/98/51/853279851.db2.gz NRRUVAGONNXPNY-FTUHBYGFSA-N 0 0 392.443 3.741 10 0 GHAERN CC(C)[C@H]1N(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000333963643 853280044 /nfs/dbraw/zinc/28/00/44/853280044.db2.gz ODCHXUOPGKWRBZ-PKOBYXMFSA-N 0 0 390.549 3.905 10 0 GHAERN C[C@@]1(c2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)NC(=O)NC1=O ZINC000329962223 862462583 /nfs/dbraw/zinc/46/25/83/862462583.db2.gz PDRLLRPWWKRXAG-AOMKIAJQSA-N 0 0 393.443 3.818 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCO[C@@H](c2cccs2)C1 ZINC000334063571 853845574 /nfs/dbraw/zinc/84/55/74/853845574.db2.gz CDOMNMMGRTXGFA-MJQMVNBJSA-N 0 0 398.532 3.732 10 0 GHAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000334098286 854220021 /nfs/dbraw/zinc/22/00/21/854220021.db2.gz UMVFQSDPPPHEIV-YLXRRXKZSA-N 0 0 392.565 3.939 10 0 GHAERN CC(=O)N1CCN(c2nnc(C(C)(C)c3ccccc3)n2C)CC12CCCCC2 ZINC000328651215 854489881 /nfs/dbraw/zinc/48/98/81/854489881.db2.gz BICVMRMEUKXCSX-UHFFFAOYSA-N 0 0 395.551 3.512 10 0 GHAERN CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000330186653 862645062 /nfs/dbraw/zinc/64/50/62/862645062.db2.gz JWVRKWGULHKVIU-OALUTQOASA-N 0 0 398.956 3.502 10 0 GHAERN CCC[C@@H](C(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000105886608 855150621 /nfs/dbraw/zinc/15/06/21/855150621.db2.gz CNYHAFZGQXVWBJ-GOSISDBHSA-N 0 0 386.442 3.833 10 0 GHAERN Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162723703 855214925 /nfs/dbraw/zinc/21/49/25/855214925.db2.gz NLZUNXHVJOSSEP-VIFPVBQESA-N 0 0 390.336 3.562 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(C)c(Br)c(C)c2)C[C@H]1C ZINC000192418159 855811127 /nfs/dbraw/zinc/81/11/27/855811127.db2.gz INVRVDIWSOMIRV-OCCSQVGLSA-N 0 0 383.286 3.729 10 0 GHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2cncc(Br)c2)CC1 ZINC000103975068 856297297 /nfs/dbraw/zinc/29/72/97/856297297.db2.gz CPLYWRGNXUAMGM-CYBMUJFWSA-N 0 0 392.272 3.502 10 0 GHAERN Cc1nnc(COc2ccccc2C(=O)NCCCc2ccccc2)n1C1CC1 ZINC000105577579 856860899 /nfs/dbraw/zinc/86/08/99/856860899.db2.gz UENKFOUVZXFZHB-UHFFFAOYSA-N 0 0 390.487 3.863 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000131372827 857735085 /nfs/dbraw/zinc/73/50/85/857735085.db2.gz COYSVGUSLPMCCI-IEBWSBKVSA-N 0 0 395.507 3.536 10 0 GHAERN Cc1cc(F)ccc1NC(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000330332384 862972772 /nfs/dbraw/zinc/97/27/72/862972772.db2.gz OVCJQKNVGIWEME-QGZVFWFLSA-N 0 0 384.455 3.815 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccccc3OC(F)F)C2)c1 ZINC000102524635 860314383 /nfs/dbraw/zinc/31/43/83/860314383.db2.gz YYVQYEYFTACYGE-CQSZACIVSA-N 0 0 391.418 3.945 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1cccc2c1OCCO2 ZINC000102567185 860331661 /nfs/dbraw/zinc/33/16/61/860331661.db2.gz RTJWYOLXFWCKCN-UHFFFAOYSA-N 0 0 383.379 3.616 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)N[C@@H](c3ccccc3)C3CCCC3)CCO2)c1 ZINC000171918868 860429917 /nfs/dbraw/zinc/42/99/17/860429917.db2.gz JAFDBRRLOUXMDI-SFTDATJTSA-N 0 0 382.508 3.533 10 0 GHAERN O=C(N[C@H]1CCSc2ccccc21)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172345267 860433173 /nfs/dbraw/zinc/43/31/73/860433173.db2.gz WHAVXJYTBCWYKE-INIZCTEOSA-N 0 0 394.500 3.897 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccc(C)cc4)C3)C2)n1 ZINC000173064434 860436059 /nfs/dbraw/zinc/43/60/59/860436059.db2.gz YZEXUXKTCNZYPE-RBUKOAKNSA-N 0 0 397.544 3.515 10 0 GHAERN COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c1 ZINC000102694920 860570517 /nfs/dbraw/zinc/57/05/17/860570517.db2.gz CMVSDLVAJQJGBU-INIZCTEOSA-N 0 0 399.516 3.956 10 0 GHAERN O=C(c1cccc2ncccc21)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000102908738 860884205 /nfs/dbraw/zinc/88/42/05/860884205.db2.gz JDBWOFZOVDYLQI-UHFFFAOYSA-N 0 0 397.837 3.626 10 0 GHAERN CCc1c(C(=O)Nc2nc(-c3cccc(OC)c3)ns2)[nH]c(C)c1C(C)=O ZINC000102910854 860899592 /nfs/dbraw/zinc/89/95/92/860899592.db2.gz HAKXFSPQXZGGDB-UHFFFAOYSA-N 0 0 384.461 3.868 10 0 GHAERN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3(C)C)cc2)ccc1F ZINC000102919692 860902245 /nfs/dbraw/zinc/90/22/45/860902245.db2.gz BFCAFJXLEYHEDA-UHFFFAOYSA-N 0 0 390.480 3.950 10 0 GHAERN COc1ccc([C@H](C)NC(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000102979381 860928291 /nfs/dbraw/zinc/92/82/91/860928291.db2.gz BQHXREGSJJIFDN-LIRRHRJNSA-N 0 0 399.528 3.784 10 0 GHAERN O=C1[C@@H](N2CC[C@H](c3nc(C4CC4)no3)C2)CCCN1c1ccccc1Cl ZINC000329058033 860982065 /nfs/dbraw/zinc/98/20/65/860982065.db2.gz TXAOTHNPTAPWHI-YOEHRIQHSA-N 0 0 386.883 3.585 10 0 GHAERN Cc1cc(-c2noc([C@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060960 860985254 /nfs/dbraw/zinc/98/52/54/860985254.db2.gz USISTBDTERIXDY-WFASDCNBSA-N 0 0 383.427 3.995 10 0 GHAERN Brc1ccccc1C1(c2noc([C@@H]3OC[C@H]4COCC[C@H]43)n2)CC1 ZINC000377770520 863305144 /nfs/dbraw/zinc/30/51/44/863305144.db2.gz DOCDVGAZZJCTFY-LALPHHSUSA-N 0 0 391.265 3.636 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000332980269 863389548 /nfs/dbraw/zinc/38/95/48/863389548.db2.gz LZCOECBDYTVVBB-LTIDMASMSA-N 0 0 378.517 3.844 10 0 GHAERN CCCNC(=O)c1cccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103179954 863903801 /nfs/dbraw/zinc/90/38/01/863903801.db2.gz YRBZGGLXWBTCMI-UHFFFAOYSA-N 0 0 392.503 3.658 10 0 GHAERN CCn1c(CN2CCC(NC(=O)c3ccccc3C)CC2)nc2c1cccc2F ZINC000103140615 863931944 /nfs/dbraw/zinc/93/19/44/863931944.db2.gz PKUZYEKPURLNFS-UHFFFAOYSA-N 0 0 394.494 3.898 10 0 GHAERN O=C(CNC(=O)N[C@H](c1ccccc1)c1ccncc1)Nc1ccc(Cl)cc1 ZINC000103309639 863952388 /nfs/dbraw/zinc/95/23/88/863952388.db2.gz ITLXKBPBHWMNSX-HXUWFJFHSA-N 0 0 394.862 3.762 10 0 GHAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000103313094 863954144 /nfs/dbraw/zinc/95/41/44/863954144.db2.gz AYQUEPPCLVLGNP-JOCHJYFZSA-N 0 0 394.519 3.557 10 0 GHAERN C[C@@H](NC(=O)N1CCC(N2CCCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000177769271 863969847 /nfs/dbraw/zinc/96/98/47/863969847.db2.gz AFXYOZNCWIEATK-DNBYOKIBSA-N 0 0 387.568 3.778 10 0 GHAERN O=C(NCCCN1CCCC1=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103426322 863978898 /nfs/dbraw/zinc/97/88/98/863978898.db2.gz OJKFUTACGLUMOW-UHFFFAOYSA-N 0 0 386.879 3.661 10 0 GHAERN C[C@@H](c1ccc(F)cc1F)N1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000103494263 864037954 /nfs/dbraw/zinc/03/79/54/864037954.db2.gz MORAPCHRSWDHQP-INIZCTEOSA-N 0 0 397.473 3.639 10 0 GHAERN C[C@@H](NC(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000103734235 864075119 /nfs/dbraw/zinc/07/51/19/864075119.db2.gz GVHJRKHHBWMQRR-CHWSQXEVSA-N 0 0 383.872 3.909 10 0 GHAERN CC[C@@H]1CCc2nc(NC(=O)c3ccc(-n4cnnn4)cc3Cl)sc2C1 ZINC000103764455 864086385 /nfs/dbraw/zinc/08/63/85/864086385.db2.gz WPNDIIYMQJDZTR-SNVBAGLBSA-N 0 0 388.884 3.539 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(Cc2cc(F)ccc2Br)CC1 ZINC000104680701 864541858 /nfs/dbraw/zinc/54/18/58/864541858.db2.gz NWGLEVMCGXCPRB-ZDUSSCGKSA-N 0 0 385.321 3.961 10 0 GHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000248412483 865015511 /nfs/dbraw/zinc/01/55/11/865015511.db2.gz JOROSTWQGLHSFA-XIRDDKMYSA-N 0 0 385.512 3.801 10 0 GHAERN COc1ccc([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)cc1Cn1cccn1 ZINC000168016221 865085771 /nfs/dbraw/zinc/08/57/71/865085771.db2.gz VAVKJNDMBIOICI-APWZRJJASA-N 0 0 394.523 3.841 10 0 GHAERN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928866 865762565 /nfs/dbraw/zinc/76/25/65/865762565.db2.gz HGLOJOXAZHQAHW-QGZVFWFLSA-N 0 0 382.464 3.503 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)C[C@H](C)O1 ZINC000248801038 866503990 /nfs/dbraw/zinc/50/39/90/866503990.db2.gz AHDKDERAUGGSDV-LXTVHRRPSA-N 0 0 385.430 3.546 10 0 GHAERN COc1cccc(CNC(=O)N[C@@H](C)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000101999775 866547477 /nfs/dbraw/zinc/54/74/77/866547477.db2.gz PSFUNWZFNLQBCO-LBPRGKRZSA-N 0 0 383.370 3.592 10 0 GHAERN COc1cc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)ccc1OC1CCCC1 ZINC000109687121 866602366 /nfs/dbraw/zinc/60/23/66/866602366.db2.gz QEXVLPONLVKFFX-GOSISDBHSA-N 0 0 383.492 3.999 10 0 GHAERN CC(C)c1cc(C(=O)N2CCO[C@@H](c3nccs3)C2)c2cnn(C(C)C)c2n1 ZINC000110884689 866661698 /nfs/dbraw/zinc/66/16/98/866661698.db2.gz LFRVUOJXCRCOHG-QGZVFWFLSA-N 0 0 399.520 3.806 10 0 GHAERN Cc1noc(CCNC(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)n1 ZINC000105038155 866666021 /nfs/dbraw/zinc/66/60/21/866666021.db2.gz GURDLCIAWZZTSK-UHFFFAOYSA-N 0 0 388.374 3.599 10 0 GHAERN O=C(c1cc2cc(Br)ccc2o1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151088710 866689776 /nfs/dbraw/zinc/68/97/76/866689776.db2.gz QKEVZXPCCMDXMX-UGSOOPFHSA-N 0 0 378.266 3.963 10 0 GHAERN O=C(c1nn(-c2ccccc2F)c2c1CCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113887407 866760487 /nfs/dbraw/zinc/76/04/87/866760487.db2.gz PUCSDTSVGICBFI-QGZVFWFLSA-N 0 0 379.439 3.591 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(c3cccc(Cl)c3)CCCCC1)CC2 ZINC000114872730 866774818 /nfs/dbraw/zinc/77/48/18/866774818.db2.gz GAIBTVTTXZVASV-KRWDZBQOSA-N 0 0 386.927 3.827 10 0 GHAERN O=C(c1ccccc1Cl)N1CCCN(C(=O)c2ccc(F)c(F)c2F)CC1 ZINC000169845724 882029895 /nfs/dbraw/zinc/02/98/95/882029895.db2.gz PAZYLOBHVHEEOS-UHFFFAOYSA-N 0 0 396.796 3.746 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C3)cs1 ZINC000180297204 867062630 /nfs/dbraw/zinc/06/26/30/867062630.db2.gz HRNKAYYODBXZPU-ABAIWWIYSA-N 0 0 377.535 3.815 10 0 GHAERN COc1ccccc1[C@@H]1CCCN1C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000170837470 882060027 /nfs/dbraw/zinc/06/00/27/882060027.db2.gz FQAHESLASUWAMF-APWZRJJASA-N 0 0 379.460 3.668 10 0 GHAERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151284838 867252220 /nfs/dbraw/zinc/25/22/20/867252220.db2.gz BWXZLEASQDLSNJ-VLIAUNLRSA-N 0 0 378.538 3.808 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000171645577 882120109 /nfs/dbraw/zinc/12/01/09/882120109.db2.gz IHGVASZZROODLM-DOTOQJQBSA-N 0 0 391.924 3.770 10 0 GHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000245664399 867831651 /nfs/dbraw/zinc/83/16/51/867831651.db2.gz DPAPKUCKRKJJAP-XIRDDKMYSA-N 0 0 385.512 3.801 10 0 GHAERN O=C(N[C@H]1CCc2ncnn2C1)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000173694575 868015434 /nfs/dbraw/zinc/01/54/34/868015434.db2.gz DCLFXDAVVHDJEU-INIZCTEOSA-N 0 0 392.425 3.630 10 0 GHAERN Cn1cc([C@H]2CCN(CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057223 882165980 /nfs/dbraw/zinc/16/59/80/882165980.db2.gz XFWRRAQBPSGOOH-NSHDSACASA-N 0 0 386.805 3.520 10 0 GHAERN O=C(Cc1coc(-c2ccc(F)cc2)n1)N1CCC(Cc2ccccn2)CC1 ZINC000172020864 882182970 /nfs/dbraw/zinc/18/29/70/882182970.db2.gz JIPUBBZVJGJDHX-UHFFFAOYSA-N 0 0 379.435 3.900 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC[C@H]3C(=O)Nc4ccccc43)C2)n1 ZINC000172239264 882190065 /nfs/dbraw/zinc/19/00/65/882190065.db2.gz AFWGTKSHUYISFH-RHSMWYFYSA-N 0 0 398.532 3.721 10 0 GHAERN Cc1cccc(-c2ccc(CNC(=O)NCc3cccnc3-n3cncn3)cc2)c1 ZINC000172265011 882192656 /nfs/dbraw/zinc/19/26/56/882192656.db2.gz LPVSLDBNDCLMHU-UHFFFAOYSA-N 0 0 398.470 3.637 10 0 GHAERN O=c1[nH]c(CN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481769 869214218 /nfs/dbraw/zinc/21/42/18/869214218.db2.gz GMIVGHJSAPHGIU-OAHLLOKOSA-N 0 0 391.500 3.754 10 0 GHAERN COc1cccc(C2CCN(C(=O)NC[C@@H](CCO)c3ccccc3)CC2)c1 ZINC000172637876 882281355 /nfs/dbraw/zinc/28/13/55/882281355.db2.gz REUKOYFDBJGBBC-OAQYLSRUSA-N 0 0 382.504 3.750 10 0 GHAERN C[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc2ccccc2c1 ZINC000172503363 882291345 /nfs/dbraw/zinc/29/13/45/882291345.db2.gz LULGHEZBRNRYOF-CQSZACIVSA-N 0 0 386.411 3.706 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)C2)n1 ZINC000153092125 869430479 /nfs/dbraw/zinc/43/04/79/869430479.db2.gz RLMQHJGEBBFQJH-KLHJMIIUSA-N 0 0 381.524 3.955 10 0 GHAERN CC(C)CCOc1cccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000172889578 882321748 /nfs/dbraw/zinc/32/17/48/882321748.db2.gz JISBAZNITCKDRR-UHFFFAOYSA-N 0 0 395.503 3.997 10 0 GHAERN COc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)cc(OC)c1OC(F)F ZINC000173042954 882332998 /nfs/dbraw/zinc/33/29/98/882332998.db2.gz IFXGLHJHZDJSEZ-NSHDSACASA-N 0 0 398.431 3.782 10 0 GHAERN O=C(Nc1ccccc1OCC1CC1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000173164720 882336291 /nfs/dbraw/zinc/33/62/91/882336291.db2.gz ILSWGKIRMBFTEY-LJQANCHMSA-N 0 0 379.460 3.504 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)NCc3coc(-c4ccccc4)n3)CC2)nc1 ZINC000173377973 882356700 /nfs/dbraw/zinc/35/67/00/882356700.db2.gz OLIIKLVVMOYVRT-UHFFFAOYSA-N 0 0 391.475 3.513 10 0 GHAERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000114741198 870120090 /nfs/dbraw/zinc/12/00/90/870120090.db2.gz KXHIXXDXEDJRSZ-JTQLQIEISA-N 0 0 394.415 3.869 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)s2)c1 ZINC000186067632 870225350 /nfs/dbraw/zinc/22/53/50/870225350.db2.gz GXSKYIDIETZMRM-OXJNMPFZSA-N 0 0 386.521 3.981 10 0 GHAERN O[C@@]12CCCC[C@H]1C[N@H+](Cc1nnc(-c3ccccc3Br)o1)CC2 ZINC000247972018 870250973 /nfs/dbraw/zinc/25/09/73/870250973.db2.gz JRTMVFHEIYXVPR-SCLBCKFNSA-N 0 0 392.297 3.626 10 0 GHAERN CCC(CC)c1cc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)on1 ZINC000173643732 882388458 /nfs/dbraw/zinc/38/84/58/882388458.db2.gz MRBXMHHVYMSULT-UHFFFAOYSA-N 0 0 389.521 3.808 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000173690205 882392759 /nfs/dbraw/zinc/39/27/59/882392759.db2.gz QLNDJWGLCZFWIM-UHFFFAOYSA-N 0 0 397.475 3.871 10 0 GHAERN Cn1ccc2ccc(NC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc21 ZINC000173809133 882406656 /nfs/dbraw/zinc/40/66/56/882406656.db2.gz UOIARTLCYFRZRS-UHFFFAOYSA-N 0 0 382.508 3.825 10 0 GHAERN Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c2cnn(Cc3cccs3)c2n1 ZINC000046496007 870435408 /nfs/dbraw/zinc/43/54/08/870435408.db2.gz DHDJIAPAYHCYDH-OALUTQOASA-N 0 0 396.516 3.633 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(-n4cncn4)c(C)c3)C2)cc1 ZINC000173848441 882409703 /nfs/dbraw/zinc/40/97/03/882409703.db2.gz ABAPOJSGQAHYJX-QFBILLFUSA-N 0 0 376.460 3.603 10 0 GHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)ccc12 ZINC000194711792 870522876 /nfs/dbraw/zinc/52/28/76/870522876.db2.gz GYILCOFTZVQNOU-PMACEKPBSA-N 0 0 376.460 3.513 10 0 GHAERN Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000051994624 870559618 /nfs/dbraw/zinc/55/96/18/870559618.db2.gz RGKZRVHPRMVIGS-IRXDYDNUSA-N 0 0 380.448 3.843 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053961704 870571546 /nfs/dbraw/zinc/57/15/46/870571546.db2.gz LZMHGOVYIHPOLA-ZWKOTPCHSA-N 0 0 380.444 3.828 10 0 GHAERN O=c1nc(Cc2ccc(C(F)(F)F)cn2)[nH]c2sc3c(c21)CCSC3 ZINC000054753466 870577037 /nfs/dbraw/zinc/57/70/37/870577037.db2.gz GNPADNMLTMWPKC-UHFFFAOYSA-N 0 0 383.420 3.779 10 0 GHAERN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174084966 882423781 /nfs/dbraw/zinc/42/37/81/882423781.db2.gz UBGSUPOWXDGSAK-QGZVFWFLSA-N 0 0 395.478 3.820 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)[C@H]3CSCN3C(=O)C3CCC3)c2)cs1 ZINC000106355300 870618528 /nfs/dbraw/zinc/61/85/28/870618528.db2.gz RWEKHPNAFCGBDP-QGZVFWFLSA-N 0 0 387.530 3.759 10 0 GHAERN CC[C@H](NC(=O)N1CCc2c(cccc2N2CCOC2=O)C1)c1cccs1 ZINC000174210061 882435163 /nfs/dbraw/zinc/43/51/63/882435163.db2.gz WCBIPQXMWPIJCT-INIZCTEOSA-N 0 0 385.489 3.924 10 0 GHAERN CC(C)(C)c1noc(CCC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)n1 ZINC000102976204 870878141 /nfs/dbraw/zinc/87/81/41/870878141.db2.gz IBGHJRMZIGARTL-UHFFFAOYSA-N 0 0 398.488 3.766 10 0 GHAERN CC(=O)Nc1cccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000003521390 871021280 /nfs/dbraw/zinc/02/12/80/871021280.db2.gz ZSAOERYOORUFQK-UHFFFAOYSA-N 0 0 377.396 3.597 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)CC2)nc1 ZINC000174587506 882484045 /nfs/dbraw/zinc/48/40/45/882484045.db2.gz PKMWNVWYUVCOBI-IFMALSPDSA-N 0 0 394.519 3.578 10 0 GHAERN C[C@@H]1Oc2ccc(NC(=O)N3CCC(Nc4ccccc4F)CC3)cc2NC1=O ZINC000174738797 882499321 /nfs/dbraw/zinc/49/93/21/882499321.db2.gz RNJCKGNQRBFDSX-ZDUSSCGKSA-N 0 0 398.438 3.654 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)C(=O)N[C@H](CC)c3cccs3)c2)o1 ZINC000174763176 882500937 /nfs/dbraw/zinc/50/09/37/882500937.db2.gz MKUHVCUYLVMFJH-CQSZACIVSA-N 0 0 384.461 3.567 10 0 GHAERN Cc1cc(C)cc([C@H](C)NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000174788311 882502364 /nfs/dbraw/zinc/50/23/64/882502364.db2.gz ZYSDDVKAAZIBFW-KRWDZBQOSA-N 0 0 397.523 3.542 10 0 GHAERN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175134332 882527527 /nfs/dbraw/zinc/52/75/27/882527527.db2.gz OWWVNYNBNFRFEX-LJQANCHMSA-N 0 0 390.499 3.624 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000103443913 871998784 /nfs/dbraw/zinc/99/87/84/871998784.db2.gz VWDUYRXFOKSGPH-CABCVRRESA-N 0 0 397.313 3.584 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)COc1ccccc1-c1ccccc1 ZINC000103444407 872000803 /nfs/dbraw/zinc/00/08/03/872000803.db2.gz KOTNYDQPVBMUST-UHFFFAOYSA-N 0 0 384.476 3.763 10 0 GHAERN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(C)nc2c1cnn2C ZINC000175511536 882591351 /nfs/dbraw/zinc/59/13/51/882591351.db2.gz PHYPLGBUTZAKIH-LJQANCHMSA-N 0 0 388.475 3.624 10 0 GHAERN Cc1occc1C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101900196 872354056 /nfs/dbraw/zinc/35/40/56/872354056.db2.gz GVPKKCUEOCCEKP-UHFFFAOYSA-N 0 0 375.472 3.640 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)n1 ZINC000175911172 882614992 /nfs/dbraw/zinc/61/49/92/882614992.db2.gz BUTQBDDUVAINJS-HOTGVXAUSA-N 0 0 393.553 3.851 10 0 GHAERN O=C(c1ccc(F)cc1)N1CCC(C(=O)N(CC(F)(F)F)C2CCC2)CC1 ZINC000175966141 882651979 /nfs/dbraw/zinc/65/19/79/882651979.db2.gz RIMKRSMACCQVNZ-UHFFFAOYSA-N 0 0 386.389 3.621 10 0 GHAERN Cc1c(NC(=O)N2CCC[C@H]2Cn2ccnc2)cccc1OCC(F)(F)F ZINC000176351362 882682771 /nfs/dbraw/zinc/68/27/71/882682771.db2.gz SYXLGWKHOZJFRF-AWEZNQCLSA-N 0 0 382.386 3.829 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCCc3nc4ccccc4[nH]3)C2)c1 ZINC000176387311 882686915 /nfs/dbraw/zinc/68/69/15/882686915.db2.gz HYQXZOTYNKSYAY-MRXNPFEDSA-N 0 0 393.487 3.919 10 0 GHAERN Cc1cc(=O)oc2cc(OC(=O)CNC(=O)CCC3CCCC3)c(Cl)cc12 ZINC000102596091 873297306 /nfs/dbraw/zinc/29/73/06/873297306.db2.gz FCHPAQMKYJMMNA-UHFFFAOYSA-N 0 0 391.851 3.747 10 0 GHAERN O=C(c1ccn(-c2c(F)cccc2F)n1)N1CCC(Cc2ccccn2)CC1 ZINC000176551088 882714264 /nfs/dbraw/zinc/71/42/64/882714264.db2.gz RMSXCBNXOPWTHP-UHFFFAOYSA-N 0 0 382.414 3.640 10 0 GHAERN O=C(c1c(O)cnc2ccccc21)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000176585479 882716256 /nfs/dbraw/zinc/71/62/56/882716256.db2.gz HPGHNVDPFZTBBV-OAQYLSRUSA-N 0 0 380.419 3.665 10 0 GHAERN CCOc1cc(C)ccc1CNC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000176603783 882719044 /nfs/dbraw/zinc/71/90/44/882719044.db2.gz BQJIPBWGUWUQFG-GOSISDBHSA-N 0 0 393.491 3.526 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N[C@H]2CCO[C@@H]2c2ccccc2)c1Br ZINC000176642315 882721900 /nfs/dbraw/zinc/72/19/00/882721900.db2.gz XBGUFDDSEAPCAI-BLLLJJGKSA-N 0 0 378.270 3.556 10 0 GHAERN CCCC(=O)N1CCC[C@@H](C(=O)Oc2ccc(Br)cc2C(C)=O)C1 ZINC000102711126 873472080 /nfs/dbraw/zinc/47/20/80/873472080.db2.gz CSMUOZOWMXVTTR-CYBMUJFWSA-N 0 0 396.281 3.596 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)CSc3ccc(F)c(F)c3)CC2)n1 ZINC000116668266 873614072 /nfs/dbraw/zinc/61/40/72/873614072.db2.gz FQPCOIBXFJXDHP-UHFFFAOYSA-N 0 0 377.460 3.546 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)CC2)n1 ZINC000116666596 873614176 /nfs/dbraw/zinc/61/41/76/873614176.db2.gz NCNHDVRALXNCFU-RBBKRZOGSA-N 0 0 379.504 3.643 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1cccc(F)c1 ZINC000176876943 882745726 /nfs/dbraw/zinc/74/57/26/882745726.db2.gz FVUJZDSBJNFAFH-IBGZPJMESA-N 0 0 385.487 3.625 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116836831 873726363 /nfs/dbraw/zinc/72/63/63/873726363.db2.gz DASHAWGDVWNKFG-UHFFFAOYSA-N 0 0 389.503 3.591 10 0 GHAERN CC1(C)CCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000102919804 873818454 /nfs/dbraw/zinc/81/84/54/873818454.db2.gz MQXASCMGCJOLOF-UHFFFAOYSA-N 0 0 384.929 3.529 10 0 GHAERN C[NH+](C)C1CCN(c2ccc(NC(=O)c3c([O-])cc(F)cc3F)cc2F)CC1 ZINC000102941727 873904268 /nfs/dbraw/zinc/90/42/68/873904268.db2.gz SMYNXMZOAMBASV-UHFFFAOYSA-N 0 0 393.409 3.592 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N3CC=C(c4cccs4)CC3)c(=O)[nH]c21 ZINC000117857379 874225736 /nfs/dbraw/zinc/22/57/36/874225736.db2.gz KTOAFSHNOCSHOP-AATRIKPKSA-N 0 0 394.500 3.696 10 0 GHAERN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3nccs3)C2)c2cccnc2c1C ZINC000177509624 882808286 /nfs/dbraw/zinc/80/82/86/882808286.db2.gz MBVLIOBWPBSZND-OAHLLOKOSA-N 0 0 394.500 3.653 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177302531 882817218 /nfs/dbraw/zinc/81/72/18/882817218.db2.gz SJQKGNCXIPNBOB-UHFFFAOYSA-N 0 0 397.519 3.852 10 0 GHAERN COc1ccc(-c2nn(CN(C)CCc3ccccc3OC)c(=S)[nH]2)cc1 ZINC000104653642 874610264 /nfs/dbraw/zinc/61/02/64/874610264.db2.gz XIYGHCMNCSBTFH-UHFFFAOYSA-N 0 0 384.505 3.757 10 0 GHAERN O=C([C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC(OCC2CCCC2)CC1 ZINC000119350339 875132446 /nfs/dbraw/zinc/13/24/46/875132446.db2.gz UXSYZKAOADIVML-AWEZNQCLSA-N 0 0 399.457 3.731 10 0 GHAERN CCCCC[C@@H](C)NC(=O)C[S@@](=O)Cc1csc(Br)c1 ZINC000105692121 875366641 /nfs/dbraw/zinc/36/66/41/875366641.db2.gz NJOUAFNWWDYATM-BIBXISHDSA-N 0 0 380.373 3.844 10 0 GHAERN O=C(CCS(=O)(=O)C1CCCC1)OCCc1ccccc1C(F)(F)F ZINC000105776153 875457141 /nfs/dbraw/zinc/45/71/41/875457141.db2.gz PIQCTLYRFBTBOM-UHFFFAOYSA-N 0 0 378.412 3.539 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccccc3OCC(F)F)CC2)nc1 ZINC000120239660 875751435 /nfs/dbraw/zinc/75/14/35/875751435.db2.gz KXLXZPLQBXDBLY-UHFFFAOYSA-N 0 0 390.434 3.824 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000120406626 876021977 /nfs/dbraw/zinc/02/19/77/876021977.db2.gz WCALFZJQIJUCQS-JPYJTQIMSA-N 0 0 396.450 3.895 10 0 GHAERN Cc1cc(Br)cc2cc(C(=O)N[C@H](C)C(=O)N3CCCCC3)oc21 ZINC000179313569 882988796 /nfs/dbraw/zinc/98/87/96/882988796.db2.gz LOCWEFHVCGYYOG-GFCCVEGCSA-N 0 0 393.281 3.635 10 0 GHAERN CCCOc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000179438728 882999348 /nfs/dbraw/zinc/99/93/48/882999348.db2.gz NINUYWUYXHZHIB-INIZCTEOSA-N 0 0 379.464 3.930 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)c1ccncc1 ZINC000120852904 876320086 /nfs/dbraw/zinc/32/00/86/876320086.db2.gz PHYXVIUCKMJPMX-PXAZEXFGSA-N 0 0 392.286 3.870 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCCCC[C@H]1c1ccncc1 ZINC000120896929 876329963 /nfs/dbraw/zinc/32/99/63/876329963.db2.gz UVLDRNACCBJDQP-NRFANRHFSA-N 0 0 377.488 3.962 10 0 GHAERN Cn1cccc1[C@H]1CCCCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000121281951 876718086 /nfs/dbraw/zinc/71/80/86/876718086.db2.gz TYCZQOGOCIDZEH-OAQYLSRUSA-N 0 0 379.504 3.905 10 0 GHAERN O=C(c1ccc(C(F)(F)F)cc1O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000180340127 883075998 /nfs/dbraw/zinc/07/59/98/883075998.db2.gz ICHPUWAKNJKGSN-UHFFFAOYSA-N 0 0 398.425 3.666 10 0 GHAERN CC1=NN(c2ccc(C(=O)N3CCC(Oc4ccc(C)cn4)CC3)cc2)CC1 ZINC000180858204 883103859 /nfs/dbraw/zinc/10/38/59/883103859.db2.gz XXPDNJTYXFJNHE-UHFFFAOYSA-N 0 0 378.476 3.660 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1ccc(OC(F)F)cc1 ZINC000123307183 880275233 /nfs/dbraw/zinc/27/52/33/880275233.db2.gz KNRZXQSSCKKHJM-CQSZACIVSA-N 0 0 392.450 3.747 10 0 GHAERN CCC(CC)[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CCO1 ZINC000181212341 883128438 /nfs/dbraw/zinc/12/84/38/883128438.db2.gz IIBGFOXHWAMXCI-VQTJNVASSA-N 0 0 388.556 3.642 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(C(=O)c3c(C)cc(C)nc3Cl)CC2)s1 ZINC000181881631 883189925 /nfs/dbraw/zinc/18/99/25/883189925.db2.gz PDGYYFMLQPRNSR-UHFFFAOYSA-N 0 0 391.924 3.756 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000182588050 883226960 /nfs/dbraw/zinc/22/69/60/883226960.db2.gz UQDNYQFBUREFFS-HZPDHXFCSA-N 0 0 375.404 3.506 10 0 GHAERN COc1ccc(-c2nc(CN3CCCC[C@@H]3c3nc[nH]n3)cs2)cc1OC ZINC000182718181 883231653 /nfs/dbraw/zinc/23/16/53/883231653.db2.gz AKUOVTSTPAQYMY-OAHLLOKOSA-N 0 0 385.493 3.673 10 0 GHAERN Cc1ccc(-c2ccc(C(=O)N3CCC(c4ccnn4CCO)CC3)s2)o1 ZINC000183380308 883263196 /nfs/dbraw/zinc/26/31/96/883263196.db2.gz QAHSZBVPKOAYLL-UHFFFAOYSA-N 0 0 385.489 3.525 10 0 GHAERN CCC1(CNC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCCC1 ZINC000184013179 883298498 /nfs/dbraw/zinc/29/84/98/883298498.db2.gz HWVZFLFQBZBOGK-IBGZPJMESA-N 0 0 375.488 3.889 10 0 GHAERN CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184016701 883299251 /nfs/dbraw/zinc/29/92/51/883299251.db2.gz DBAPZCBRFGWHAO-LJQANCHMSA-N 0 0 389.496 3.912 10 0 GHAERN Cc1sc2nc([C@@H](C)N3CCCN(c4ccccn4)CC3)nc(N)c2c1C ZINC000183871913 883306819 /nfs/dbraw/zinc/30/68/19/883306819.db2.gz XNYMKYYMEVPVPL-CQSZACIVSA-N 0 0 382.537 3.559 10 0 GHAERN Cc1cc(C)n(-c2ccccc2NC(=O)N2CCCN(c3ccccn3)CC2)n1 ZINC000184059160 883331871 /nfs/dbraw/zinc/33/18/71/883331871.db2.gz VZKHQXXPGUUSRJ-UHFFFAOYSA-N 0 0 390.491 3.628 10 0 GHAERN O=C(c1ccc2c(c1O)CCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000184917314 883404663 /nfs/dbraw/zinc/40/46/63/883404663.db2.gz YTHKWDOQGFJPCV-UHFFFAOYSA-N 0 0 384.520 3.526 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCCC[C@@H]2C(C)C)c2ccc(F)cc2C1 ZINC000185245734 883429741 /nfs/dbraw/zinc/42/97/41/883429741.db2.gz GUEKJNRSGMUMMV-WOJBJXKFSA-N 0 0 375.488 3.839 10 0 GHAERN CS[C@H]1CCCCN(C(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)C1 ZINC000185249043 883429805 /nfs/dbraw/zinc/42/98/05/883429805.db2.gz DSHVZRIAELMYCF-HKUYNNGSSA-N 0 0 393.528 3.546 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2cc(C)ccc2C)c2ccc(F)cc2C1 ZINC000185500827 883463329 /nfs/dbraw/zinc/46/33/29/883463329.db2.gz HFXWOECHLGOEAX-NRFANRHFSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)c2ccc(F)cc2C1 ZINC000185508664 883547699 /nfs/dbraw/zinc/54/76/99/883547699.db2.gz BNGZWFCSBDGKMJ-JOCHJYFZSA-N 0 0 393.462 3.849 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCc2ccccc2Cl)c2ccc(F)cc2C1 ZINC000185515117 883548984 /nfs/dbraw/zinc/54/89/84/883548984.db2.gz DUPSONDHQJGIJO-LJQANCHMSA-N 0 0 389.858 3.772 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cccc(OC(F)F)c2)c2ccc(F)cc2C1 ZINC000185533733 883551075 /nfs/dbraw/zinc/55/10/75/883551075.db2.gz NPCCXUQFPUMLBC-SFHVURJKSA-N 0 0 392.377 3.650 10 0 GHAERN CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185532649 883551148 /nfs/dbraw/zinc/55/11/48/883551148.db2.gz FMILYMVITMYAOU-HXUWFJFHSA-N 0 0 383.423 3.643 10 0 GHAERN CCCc1cnc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)s1 ZINC000185638606 883568771 /nfs/dbraw/zinc/56/87/71/883568771.db2.gz KRKLXMDAJGZLGL-KRWDZBQOSA-N 0 0 390.484 3.850 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(-n2ccnc2)c1 ZINC000185778019 883583832 /nfs/dbraw/zinc/58/38/32/883583832.db2.gz YECYWIGUCHFFFS-UZUQRXQVSA-N 0 0 388.471 3.774 10 0 GHAERN CC(C)CC(=O)Nc1ccc(C(=O)N2CCCN(c3ccccn3)CC2)cc1F ZINC000186493683 883649813 /nfs/dbraw/zinc/64/98/13/883649813.db2.gz ZUIKNIBXPVBTDC-UHFFFAOYSA-N 0 0 398.482 3.558 10 0 GHAERN COc1ccc(-c2cncc(C(=O)N3CCCN(c4ccccn4)CC3)c2)cc1 ZINC000186499513 883651316 /nfs/dbraw/zinc/65/13/16/883651316.db2.gz DJDNAYRWBXOQAT-UHFFFAOYSA-N 0 0 388.471 3.505 10 0 GHAERN COc1cccc(Cl)c1C(=O)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186396189 883653954 /nfs/dbraw/zinc/65/39/54/883653954.db2.gz XKVKFFYAACPQHR-UHFFFAOYSA-N 0 0 381.806 3.751 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NCCC[C@@H]3CCCCO3)C2)c1 ZINC000186630080 883677096 /nfs/dbraw/zinc/67/70/96/883677096.db2.gz DJARNKOJKNCJKQ-WMZOPIPTSA-N 0 0 376.497 3.552 10 0 GHAERN C[C@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186644413 883681026 /nfs/dbraw/zinc/68/10/26/883681026.db2.gz DXTBHTBRQOBWAG-LLVKDONJSA-N 0 0 390.390 3.531 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@H]2COc3cc(C)c(C)cc32)c2ccc(F)cc2C1 ZINC000186747890 883698895 /nfs/dbraw/zinc/69/88/95/883698895.db2.gz PLZNVKDJEHHERU-LEWJYISDSA-N 0 0 396.462 3.528 10 0 GHAERN CCOc1cc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)cc(Cl)c1O ZINC000186831383 883709590 /nfs/dbraw/zinc/70/95/90/883709590.db2.gz VDLNYSJWOKCPQK-UHFFFAOYSA-N 0 0 389.883 3.547 10 0 GHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)C1CCN(C(=O)c3ccccn3)CC1)CC2 ZINC000187047194 883733827 /nfs/dbraw/zinc/73/38/27/883733827.db2.gz XJPNJTPCTDTJBM-OAQYLSRUSA-N 0 0 391.515 3.861 10 0 GHAERN CCOc1ccc([C@@H]2CCCN2C(=O)CN[C@@H](C)c2ccncc2OC)cc1 ZINC000187060963 883734687 /nfs/dbraw/zinc/73/46/87/883734687.db2.gz JOJZNOXCVMZELV-JXFKEZNVSA-N 0 0 383.492 3.503 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c(Cl)n1 ZINC000187416376 883790570 /nfs/dbraw/zinc/79/05/70/883790570.db2.gz ZQUZQZWTIBMGGB-UHFFFAOYSA-N 0 0 376.859 3.701 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccnn2[C@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000187716698 883816044 /nfs/dbraw/zinc/81/60/44/883816044.db2.gz FOPXSSMAROCZAD-YJYMSZOUSA-N 0 0 399.470 3.608 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(CSc2nc[nH]n2)cc1 ZINC000188106943 883825978 /nfs/dbraw/zinc/82/59/78/883825978.db2.gz ZKINQQQFHODGKO-KRWDZBQOSA-N 0 0 380.473 3.659 10 0 GHAERN COc1nc(C)c(Br)cc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000188127090 883826823 /nfs/dbraw/zinc/82/68/23/883826823.db2.gz QVRODQJRVABOPD-NSHDSACASA-N 0 0 396.310 3.637 10 0 GHAERN COc1ccccc1-c1cccc(NC(=O)N2CCN(c3cc(C)[nH]n3)CC2)c1 ZINC000188175866 883829003 /nfs/dbraw/zinc/82/90/03/883829003.db2.gz GQMOPVQHSHXZPW-UHFFFAOYSA-N 0 0 391.475 3.748 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(NC(C)=O)c3C)C2)c1 ZINC000188497746 883854313 /nfs/dbraw/zinc/85/43/13/883854313.db2.gz YEQRUQRRQTYERO-INIZCTEOSA-N 0 0 382.460 3.600 10 0 GHAERN O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000188656703 883868632 /nfs/dbraw/zinc/86/86/32/883868632.db2.gz CHFSTTVZWWTLAQ-UHFFFAOYSA-N 0 0 389.500 3.991 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000188953556 883905752 /nfs/dbraw/zinc/90/57/52/883905752.db2.gz UXBWPJINNNREBK-GFCCVEGCSA-N 0 0 395.406 3.676 10 0 GHAERN Brc1ccccc1N1CC[C@@H](N[C@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000189121245 883921162 /nfs/dbraw/zinc/92/11/62/883921162.db2.gz VCWHIYGWWODCDN-QAPCUYQASA-N 0 0 398.308 3.525 10 0 GHAERN COCCc1ccccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000189468393 883946096 /nfs/dbraw/zinc/94/60/96/883946096.db2.gz KVQSHDKILKQELB-UHFFFAOYSA-N 0 0 387.524 3.522 10 0 GHAERN O=C(N[C@H]1CCO[C@@H]1c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189438286 883954224 /nfs/dbraw/zinc/95/42/24/883954224.db2.gz NXWQMRZFUKXKRX-PZJWPPBQSA-N 0 0 378.472 3.795 10 0 GHAERN Cn1cc([C@@H]2CSCCN2C(=O)N[C@@H]2c3ccccc3CCC2(C)C)cn1 ZINC000189659108 883983451 /nfs/dbraw/zinc/98/34/51/883983451.db2.gz RWIFMNUVIGRHTO-RBUKOAKNSA-N 0 0 384.549 3.933 10 0 GHAERN Cc1nnc(-c2ccccc2C(=O)N2CC3(CCOCC3)c3ccccc32)o1 ZINC000189810031 884011603 /nfs/dbraw/zinc/01/16/03/884011603.db2.gz TUHYJYXZKBTALR-UHFFFAOYSA-N 0 0 375.428 3.754 10 0 GHAERN O=C(N1CC2(CCOCC2)c2ccccc21)C1(c2cccc(F)c2)CCOCC1 ZINC000189828207 884015298 /nfs/dbraw/zinc/01/52/98/884015298.db2.gz VTMZMRZNTSHUNK-UHFFFAOYSA-N 0 0 395.474 3.969 10 0 GHAERN COc1ccccc1-c1nnc(CN[C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000189901341 884021828 /nfs/dbraw/zinc/02/18/28/884021828.db2.gz ACQTWXNQLWMSIL-OAHLLOKOSA-N 0 0 375.432 3.782 10 0 GHAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@H](c4cc(F)ccc4F)C3)no2)c1 ZINC000190277408 884062581 /nfs/dbraw/zinc/06/25/81/884062581.db2.gz PKXOGSOYLXHIKJ-AWEZNQCLSA-N 0 0 386.402 3.526 10 0 GHAERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190281096 884064446 /nfs/dbraw/zinc/06/44/46/884064446.db2.gz UCVVPJTVMMWMKX-CJNGLKHVSA-N 0 0 375.463 3.900 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000190361574 884070930 /nfs/dbraw/zinc/07/09/30/884070930.db2.gz WHAAIOYBJWFHRJ-HBFSDRIKSA-N 0 0 397.519 3.937 10 0 GHAERN Cc1cc(C(=O)N2CCC(Nc3nccs3)CC2)c2c(n1)onc2C(C)C ZINC000190382299 884073719 /nfs/dbraw/zinc/07/37/19/884073719.db2.gz XQCBEYOFGDVCOC-UHFFFAOYSA-N 0 0 385.493 3.828 10 0 GHAERN O=C(c1ccc(F)cc1Br)N1CCC(Nc2nccs2)CC1 ZINC000190417802 884078849 /nfs/dbraw/zinc/07/88/49/884078849.db2.gz TUWSZVABAVJTIC-UHFFFAOYSA-N 0 0 384.274 3.761 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190429978 884080874 /nfs/dbraw/zinc/08/08/74/884080874.db2.gz SQCDCWHYIAGQKD-UHFFFAOYSA-N 0 0 381.505 3.662 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000190887629 884119518 /nfs/dbraw/zinc/11/95/18/884119518.db2.gz ZMYBRVKWUHHECP-INIZCTEOSA-N 0 0 393.487 3.984 10 0 GHAERN O=C(CCCc1nc(C2CC2)no1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191210675 884164215 /nfs/dbraw/zinc/16/42/15/884164215.db2.gz XJVKCXZJBBCSMC-AWEZNQCLSA-N 0 0 375.419 3.954 10 0 GHAERN Cc1noc(C)c1CCC(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000191932918 884221746 /nfs/dbraw/zinc/22/17/46/884221746.db2.gz NXLIZGRDOSTFKS-KRWDZBQOSA-N 0 0 391.512 3.615 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000064548200 884292930 /nfs/dbraw/zinc/29/29/30/884292930.db2.gz MPUYJLBJROQIFZ-UHFFFAOYSA-N 0 0 393.915 3.995 10 0 GHAERN CCOc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1OC ZINC000192738742 884295313 /nfs/dbraw/zinc/29/53/13/884295313.db2.gz VLBZFGFHKSWXFA-OAHLLOKOSA-N 0 0 395.463 3.548 10 0 GHAERN O=C(Nc1cc(F)cc(Cl)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192927190 884301182 /nfs/dbraw/zinc/30/11/82/884301182.db2.gz IQCRSDDNUGXLKS-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN CCCNc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000193024256 884321005 /nfs/dbraw/zinc/32/10/05/884321005.db2.gz PFGWZIWJWXOAGA-UHFFFAOYSA-N 0 0 385.533 3.739 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000193249494 884333928 /nfs/dbraw/zinc/33/39/28/884333928.db2.gz BOVVNXOBRKMMBI-MAUKXSAKSA-N 0 0 399.516 3.565 10 0 GHAERN CCc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000102784850 884452491 /nfs/dbraw/zinc/45/24/91/884452491.db2.gz KOWRVZVMTNSPJZ-AWEZNQCLSA-N 0 0 381.263 3.522 10 0 GHAERN C[C@H]1CN(c2ccc(CNC(=O)Nc3cc(F)ccc3Cl)cn2)C[C@H](C)O1 ZINC000102801354 884466139 /nfs/dbraw/zinc/46/61/39/884466139.db2.gz DKEYWUPSESSTPV-STQMWFEESA-N 0 0 392.862 3.809 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000105226085 884692838 /nfs/dbraw/zinc/69/28/38/884692838.db2.gz WTRKUTKHQBDFAH-UHFFFAOYSA-N 0 0 397.450 3.916 10 0 GHAERN CC[C@@H](C)c1ccc(NC(=O)C[S@](=O)Cc2nc(-c3ccoc3)no2)cc1 ZINC000105711847 884840839 /nfs/dbraw/zinc/84/08/39/884840839.db2.gz TZGZQETVSDAUBV-PFUSGODGSA-N 0 0 387.461 3.731 10 0 GHAERN Cc1ccn2ncc(C(=O)Nc3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2n1 ZINC000105985916 884940550 /nfs/dbraw/zinc/94/05/50/884940550.db2.gz RGSOIIOXSCAQMD-UHFFFAOYSA-N 0 0 386.390 3.972 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1)c1ccccc1 ZINC000105987959 884940943 /nfs/dbraw/zinc/94/09/43/884940943.db2.gz NHNDOXZNTNLLCP-XPGWFJOJSA-N 0 0 394.471 3.705 10 0 GHAERN O=C(NCCCN1CCCC1=O)[C@H](Sc1ccccc1F)c1ccccc1 ZINC000106009195 884951870 /nfs/dbraw/zinc/95/18/70/884951870.db2.gz NTUYUCLBAJSCHL-HXUWFJFHSA-N 0 0 386.492 3.788 10 0 GHAERN COC(=O)c1ccc(CNC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1 ZINC000104712829 885577498 /nfs/dbraw/zinc/57/74/98/885577498.db2.gz QTFQUUHFLGYOKV-UHFFFAOYSA-N 0 0 397.862 3.859 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccccc1Br ZINC000151687753 885736757 /nfs/dbraw/zinc/73/67/57/885736757.db2.gz CVBMCHZCKJUIRF-ZQIUZPCESA-N 0 0 391.313 3.999 10 0 GHAERN Cc1csc(C2CCN(C(=O)CCc3c(C)nc4cc(C)nn4c3C)CC2)n1 ZINC000102646506 885973406 /nfs/dbraw/zinc/97/34/06/885973406.db2.gz ZTUKHRZGFVGGGL-UHFFFAOYSA-N 0 0 397.548 3.758 10 0 GHAERN CC(=O)N1CCc2cc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)ccc21 ZINC000103315188 885989461 /nfs/dbraw/zinc/98/94/61/885989461.db2.gz VRLHHTISJVGTSF-QFIPXVFZSA-N 0 0 386.455 3.902 10 0 GHAERN O=[S@](Cc1noc(-c2ccsc2)n1)Cc1cc(Cl)cc2c1OCOC2 ZINC000105517254 886016636 /nfs/dbraw/zinc/01/66/36/886016636.db2.gz HWASVGFBIRCTCV-RUZDIDTESA-N 0 0 396.877 3.767 10 0 GHAERN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000106015867 886022367 /nfs/dbraw/zinc/02/23/67/886022367.db2.gz JFBYEVQLQWXCOC-CQSZACIVSA-N 0 0 393.413 3.704 10 0 GHAERN Cc1c(C(=O)N[C@@H](C)c2ccncc2)cnn1-c1cccc(Br)c1 ZINC000106010212 886022870 /nfs/dbraw/zinc/02/28/70/886022870.db2.gz HRLHBPINFJNUSD-LBPRGKRZSA-N 0 0 385.265 3.829 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000106784354 886038821 /nfs/dbraw/zinc/03/88/21/886038821.db2.gz LEDRWPIWWFWSCF-LPQFERQCSA-N 0 0 390.487 3.952 10 0 GHAERN O=C(CN1CCC[C@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000108362559 886072274 /nfs/dbraw/zinc/07/22/74/886072274.db2.gz UAOURYMABHKVFS-WMZOPIPTSA-N 0 0 398.557 3.685 10 0 GHAERN CNc1snc(C)c1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113219772 886289114 /nfs/dbraw/zinc/28/91/14/886289114.db2.gz QHSMERQKABLVEJ-OAHLLOKOSA-N 0 0 381.505 3.903 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000114826354 886328199 /nfs/dbraw/zinc/32/81/99/886328199.db2.gz LOVFXJPPRNUCRO-DOTOQJQBSA-N 0 0 398.532 3.920 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(Cc2csc(C)n2)CC1)c1cccs1 ZINC000116535108 886365833 /nfs/dbraw/zinc/36/58/33/886365833.db2.gz NTMLNYRBQNRMTP-MRXNPFEDSA-N 0 0 378.567 3.882 10 0 GHAERN Cc1onc(-c2ccccc2)c1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116668347 886368923 /nfs/dbraw/zinc/36/89/23/886368923.db2.gz DKOWSZPLSLOIGE-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN CCNC(=O)COc1ccc(NC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000118010976 886399430 /nfs/dbraw/zinc/39/94/30/886399430.db2.gz MTOOANALQQRVOM-UHFFFAOYSA-N 0 0 385.489 3.584 10 0 GHAERN Cc1noc([C@@H](NC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)C2CCOCC2)n1 ZINC000332776814 886543090 /nfs/dbraw/zinc/54/30/90/886543090.db2.gz VFYIGCHJJHBBAV-QFYYESIMSA-N 0 0 396.850 3.699 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)cc1 ZINC000332774621 886543891 /nfs/dbraw/zinc/54/38/91/886543891.db2.gz XNTWOLHBMBEINN-ZVXPMLRVSA-N 0 0 393.531 3.746 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000332927588 886562458 /nfs/dbraw/zinc/56/24/58/886562458.db2.gz MHDRSAIRAXJORG-KYHPRHEASA-N 0 0 383.496 3.522 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)CCOc2ccc(C)cc2)c2ccccc2F)no1 ZINC000124599017 886769377 /nfs/dbraw/zinc/76/93/77/886769377.db2.gz CSNCCADAOBENGJ-IBGZPJMESA-N 0 0 398.438 3.635 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](c1noc(C)n1)c1ccccc1F ZINC000124659384 886780062 /nfs/dbraw/zinc/78/00/62/886780062.db2.gz IKBXYCXFDILGRX-IBGZPJMESA-N 0 0 398.438 3.847 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@H](C)c2cccc(O)c2)c2ccccc2F)no1 ZINC000124696881 886786039 /nfs/dbraw/zinc/78/60/39/886786039.db2.gz JYJAROOVRUTROK-KZULUSFZSA-N 0 0 384.411 3.715 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)CC2)nc1 ZINC000124803163 886800194 /nfs/dbraw/zinc/80/01/94/886800194.db2.gz WFEIOAKUGQVCMM-LEWJYISDSA-N 0 0 394.519 3.578 10 0 GHAERN COc1cc(C(=O)Nc2cccc(-c3ncon3)c2)sc1Br ZINC000125102863 886828938 /nfs/dbraw/zinc/82/89/38/886828938.db2.gz KDLIXTMQXWIHLP-UHFFFAOYSA-N 0 0 380.223 3.822 10 0 GHAERN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(c2ccnn2CCO)CC1 ZINC000126355617 886960981 /nfs/dbraw/zinc/96/09/81/886960981.db2.gz KVILVCYBGSOXKV-UHFFFAOYSA-N 0 0 399.878 3.809 10 0 GHAERN Cc1cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c(C)n1C1CCCCC1 ZINC000126396186 886964692 /nfs/dbraw/zinc/96/46/92/886964692.db2.gz GAJVJZFPQVCGPL-UHFFFAOYSA-N 0 0 398.551 3.819 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000045278915 887041044 /nfs/dbraw/zinc/04/10/44/887041044.db2.gz RIQAQKIGGZBHNY-RBUKOAKNSA-N 0 0 399.516 3.627 10 0 GHAERN O=C(N[C@@H](C1CCCC1)C(F)(F)F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000127326670 887051725 /nfs/dbraw/zinc/05/17/25/887051725.db2.gz NRUIYZRLCPDSFJ-ZBFHGGJFSA-N 0 0 395.429 3.739 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccc(C)nc3Br)CC2)n1 ZINC000128125803 887147241 /nfs/dbraw/zinc/14/72/41/887147241.db2.gz TWDFVLDBPSUPRT-UHFFFAOYSA-N 0 0 380.311 3.937 10 0 GHAERN O=c1cc(C[NH+]2CCC(Nc3ccccc3F)CC2)nc2ccc(Cl)cn12 ZINC000129041601 887254030 /nfs/dbraw/zinc/25/40/30/887254030.db2.gz AAGOBFKELCILDB-UHFFFAOYSA-N 0 0 386.858 3.564 10 0 GHAERN CC[C@H](NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)c1c(C)noc1C ZINC000129672487 887335070 /nfs/dbraw/zinc/33/50/70/887335070.db2.gz AFBFVSQHXDXZDY-KXBFYZLASA-N 0 0 387.480 3.959 10 0 GHAERN COC(=O)c1cc(NC(=O)NC2CCN(c3cccs3)CC2)c(F)cc1F ZINC000131427921 887542373 /nfs/dbraw/zinc/54/23/73/887542373.db2.gz QGRFJVZGIRHAKL-UHFFFAOYSA-N 0 0 395.431 3.603 10 0 GHAERN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000131442382 887543844 /nfs/dbraw/zinc/54/38/44/887543844.db2.gz SKISJZBHXLUKFH-RBUKOAKNSA-N 0 0 398.528 3.637 10 0 GHAERN CC(=O)N(c1nc(CN2CCOC[C@H]2c2cccn2C)cs1)c1ccccc1 ZINC000131818622 887578286 /nfs/dbraw/zinc/57/82/86/887578286.db2.gz CVAMEQDIMMCTJD-FQEVSTJZSA-N 0 0 396.516 3.740 10 0 GHAERN CNC(=O)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1Cl ZINC000132136498 887622758 /nfs/dbraw/zinc/62/27/58/887622758.db2.gz WGKZPGFWKRVKCI-UHFFFAOYSA-N 0 0 392.912 3.552 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000132841954 887706518 /nfs/dbraw/zinc/70/65/18/887706518.db2.gz SYPNOPJREXWJIL-FGZHOGPDSA-N 0 0 376.500 3.767 10 0 GHAERN COc1ccc([C@@H](NC(=O)Nc2cnc(Cl)cc2C)c2nccn2C)cc1 ZINC000133180891 887735613 /nfs/dbraw/zinc/73/56/13/887735613.db2.gz FTHQNJZMGJYHOJ-QGZVFWFLSA-N 0 0 385.855 3.697 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)c(C)c2c1 ZINC000134345324 887862179 /nfs/dbraw/zinc/86/21/79/887862179.db2.gz GXDCTMISHCFXQM-RDTXWAMCSA-N 0 0 399.516 3.538 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 ZINC000134351094 887862801 /nfs/dbraw/zinc/86/28/01/887862801.db2.gz JPZMRCTUWUNZBL-GXRSIYKFSA-N 0 0 389.499 3.649 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)sc2cccc(F)c12 ZINC000134381567 887865644 /nfs/dbraw/zinc/86/56/44/887865644.db2.gz BVVNZEVKWZIFIF-GUYCJALGSA-N 0 0 387.480 3.668 10 0 GHAERN C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000134589824 887888515 /nfs/dbraw/zinc/88/85/15/887888515.db2.gz QDQTUCFCGWSADY-ATZDWAIDSA-N 0 0 392.459 3.670 10 0 GHAERN Cc1nc2cc(NC(=O)C(=O)N3CCCCC[C@@H]3c3c(C)n[nH]c3C)ccc2o1 ZINC000134646235 887896109 /nfs/dbraw/zinc/89/61/09/887896109.db2.gz QNNBAPIIBZFVIK-QGZVFWFLSA-N 0 0 395.463 3.559 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000054024370 888261422 /nfs/dbraw/zinc/26/14/22/888261422.db2.gz SAJROXGXUIQSTJ-QUCCMNQESA-N 0 0 375.476 3.770 10 0 GHAERN O=C(C=Cc1sc2ccccc2c1Cl)N1CCC(N2CCNC2=O)CC1 ZINC000054318310 888271371 /nfs/dbraw/zinc/27/13/71/888271371.db2.gz QRGRPGMZPZWFTL-AATRIKPKSA-N 0 0 389.908 3.584 10 0 GHAERN COc1ccc(Br)c(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000137294877 888345271 /nfs/dbraw/zinc/34/52/71/888345271.db2.gz SGHYIXTXHNKHGY-AWEZNQCLSA-N 0 0 392.253 3.538 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@@H]2CCN(C)c3ccccc32)c1 ZINC000056488643 888363238 /nfs/dbraw/zinc/36/32/38/888363238.db2.gz ODTPSGACGBOUHC-YJBOKZPZSA-N 0 0 380.492 3.629 10 0 GHAERN COc1ccc(Br)cc1NC(=O)[C@H]1CCCN1c1nccs1 ZINC000193787131 888523777 /nfs/dbraw/zinc/52/37/77/888523777.db2.gz GJDLDLUPDMAARQ-GFCCVEGCSA-N 0 0 382.283 3.522 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)N1CCC[C@@H]1c1ccccc1Cl ZINC000194422905 888585546 /nfs/dbraw/zinc/58/55/46/888585546.db2.gz GPEIWIULTGAWOB-GOSISDBHSA-N 0 0 385.899 3.646 10 0 GHAERN O=C(c1ccccn1)N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000194708489 888614555 /nfs/dbraw/zinc/61/45/55/888614555.db2.gz JUMNCZOEXRYFBN-HNNXBMFYSA-N 0 0 399.248 3.871 10 0 GHAERN CN1CC[C@H](CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c2ccccc21 ZINC000195312660 888677886 /nfs/dbraw/zinc/67/78/86/888677886.db2.gz FFZBIYSINAWHKJ-IOJLRTSASA-N 0 0 397.563 3.592 10 0 GHAERN C[C@H](C(=O)Nc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c1)n1cccn1 ZINC000245603468 889052367 /nfs/dbraw/zinc/05/23/67/889052367.db2.gz GYOSFBIZQIJHAP-XLNTUCKNSA-N 0 0 380.492 3.842 10 0 GHAERN Cc1nc(CCCC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673305 889201181 /nfs/dbraw/zinc/20/11/81/889201181.db2.gz KQNFHXNWJUWIDM-MJGOQNOKSA-N 0 0 379.476 3.614 10 0 GHAERN Cc1cccc([C@H](NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)C(C)(C)C)c1 ZINC000245702670 889300082 /nfs/dbraw/zinc/30/00/82/889300082.db2.gz VSISPTWEDFWASK-ZCNNSNEGSA-N 0 0 398.551 3.971 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)C1 ZINC000246084553 890328067 /nfs/dbraw/zinc/32/80/67/890328067.db2.gz YZWFHIGXOSAUBZ-SAUMGHLYSA-N 0 0 385.552 3.689 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H]3C[C@H](O)c3ccco3)cc2)CCO1 ZINC000246102636 890378696 /nfs/dbraw/zinc/37/86/96/890378696.db2.gz NLSKOCPJZRQKLT-UXPWSPDFSA-N 0 0 399.491 3.625 10 0 GHAERN Cc1ccccc1-c1noc([C@H](C)N2CCOC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000246349951 891054272 /nfs/dbraw/zinc/05/42/72/891054272.db2.gz GAAYBUGVNPDNRV-JZXOWHBKSA-N 0 0 399.516 3.992 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)Cc1ccc(Cl)cc1 ZINC000246376398 891085113 /nfs/dbraw/zinc/08/51/13/891085113.db2.gz JTVBJDSTOIJWLF-XAUMDUMWSA-N 0 0 389.927 3.614 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246391898 891105706 /nfs/dbraw/zinc/10/57/06/891105706.db2.gz IYCJQWHGSPVXLE-GUDVDZBRSA-N 0 0 397.437 3.996 10 0 GHAERN C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000246809785 891309199 /nfs/dbraw/zinc/30/91/99/891309199.db2.gz YNUPBXUTUIXQDB-LMNJBCLMSA-N 0 0 395.503 3.559 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2)CCO1 ZINC000246816038 891311405 /nfs/dbraw/zinc/31/14/05/891311405.db2.gz WWIADPLKTZEZSS-HMFYCAOWSA-N 0 0 395.503 3.906 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1cccc(N2CCOC2=O)c1 ZINC000246821869 891312945 /nfs/dbraw/zinc/31/29/45/891312945.db2.gz XIUGVKJZNFMUKX-NQKDMWHGSA-N 0 0 376.456 3.725 10 0 GHAERN C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(N2CCOC2=O)c1 ZINC000246942922 891324288 /nfs/dbraw/zinc/32/42/88/891324288.db2.gz NPGBYLGXDUSWEO-VJICWTENSA-N 0 0 391.471 3.589 10 0 GHAERN Cc1cc(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)c(C)s1 ZINC000247261473 891360513 /nfs/dbraw/zinc/36/05/13/891360513.db2.gz QKQKLKUQOXUBKF-QRWLVFNGSA-N 0 0 399.560 3.750 10 0 GHAERN CC1(C)[C@H](NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)[C@H]2CCO[C@H]21 ZINC000247338526 891367729 /nfs/dbraw/zinc/36/77/29/891367729.db2.gz YKNIBCBPJYQLRP-XRXFAXGQSA-N 0 0 391.467 3.684 10 0 GHAERN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247348341 891369464 /nfs/dbraw/zinc/36/94/64/891369464.db2.gz JTGYIMMUMLGOTC-GVDBMIGSSA-N 0 0 391.874 3.720 10 0 GHAERN CN([C@@H](c1ccncc1)c1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000247116948 891371070 /nfs/dbraw/zinc/37/10/70/891371070.db2.gz FGPIOXGKJKYLSR-RTBURBONSA-N 0 0 394.924 3.655 10 0 GHAERN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC000247439987 891377082 /nfs/dbraw/zinc/37/70/82/891377082.db2.gz NGNSJFVESBTIMY-CDMIOBSGSA-N 0 0 396.560 3.758 10 0 GHAERN C[S@](=O)Cc1ccccc1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000248403208 891432316 /nfs/dbraw/zinc/43/23/16/891432316.db2.gz XMDDRQWNVULFQC-MBXZGBHRSA-N 0 0 392.546 3.747 10 0 GHAERN Cc1csc([C@H](C)CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000248627885 891448326 /nfs/dbraw/zinc/44/83/26/891448326.db2.gz OLIPNFKHDXUWPO-BPLDGKMQSA-N 0 0 379.551 3.914 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248639980 891450031 /nfs/dbraw/zinc/45/00/31/891450031.db2.gz WXLMPOLQEZHETQ-ZQCAWNDQSA-N 0 0 375.488 3.743 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000248723664 891461222 /nfs/dbraw/zinc/46/12/22/891461222.db2.gz MNXNPVYFAYTURX-VOBQZIQPSA-N 0 0 375.488 3.839 10 0 GHAERN COCCc1ccccc1NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249080785 891494103 /nfs/dbraw/zinc/49/41/03/891494103.db2.gz SMHZOCYIAMXTPV-VQTJNVASSA-N 0 0 389.446 3.721 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)Nc3cc(C(=O)N(C)C)ccc3C)c21 ZINC000103235515 898075593 /nfs/dbraw/zinc/07/55/93/898075593.db2.gz DMECFSBUMGATHM-UHFFFAOYSA-N 0 0 378.476 3.851 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1cc(C(=O)OC)c(F)cc1F ZINC000105000869 898177257 /nfs/dbraw/zinc/17/72/57/898177257.db2.gz XHDOCGOXEPRLQI-UHFFFAOYSA-N 0 0 377.391 3.633 10 0 GHAERN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000333196024 900027874 /nfs/dbraw/zinc/02/78/74/900027874.db2.gz UDHLRLSICDJALX-SPUZQDLCSA-N 0 0 387.505 3.782 10 0 GHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000333207812 900037434 /nfs/dbraw/zinc/03/74/34/900037434.db2.gz CFAUJRBVNVQDAZ-CSEOROSGSA-N 0 0 398.547 3.637 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC000103617097 903988602 /nfs/dbraw/zinc/98/86/02/903988602.db2.gz SNDYWFDWBVUXTK-UHFFFAOYSA-N 0 0 383.439 3.554 10 0 GHAERN CCCCOc1ccccc1COC(=O)CCc1c(C)nc2ncnn2c1C ZINC000103675293 904499899 /nfs/dbraw/zinc/49/98/99/904499899.db2.gz MSZJFTFFQYDAQU-UHFFFAOYSA-N 0 0 382.464 3.596 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)ccc1OCC(F)(F)F ZINC000183082445 907325321 /nfs/dbraw/zinc/32/53/21/907325321.db2.gz DWZJZKHLHDYCEB-ZDUSSCGKSA-N 0 0 383.374 3.813 10 0 GHAERN Cc1c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1-c1cc(C)ccc1C ZINC000183320160 907368304 /nfs/dbraw/zinc/36/83/04/907368304.db2.gz JIBSYBNACRKAIZ-KRWDZBQOSA-N 0 0 379.468 3.675 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2ccccc2CN2CCCC2=O)cs1 ZINC000186092535 907876876 /nfs/dbraw/zinc/87/68/76/907876876.db2.gz QEJCJNHVUCQCIF-IBGZPJMESA-N 0 0 398.532 3.621 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(F)cc1F ZINC000187123550 908041250 /nfs/dbraw/zinc/04/12/50/908041250.db2.gz HJKVFKXOMRUANB-AEFFLSMTSA-N 0 0 393.459 3.661 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cccnc2OCC(F)F)cs1 ZINC000187327547 908077116 /nfs/dbraw/zinc/07/71/16/908077116.db2.gz JLHZERPNVSYNDA-AWEZNQCLSA-N 0 0 382.436 3.537 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000189077349 908280275 /nfs/dbraw/zinc/28/02/75/908280275.db2.gz ZQZKXGNHPPHDKE-DOTOQJQBSA-N 0 0 387.505 3.629 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(CC(F)(F)F)c2)cs1 ZINC000189436805 908322615 /nfs/dbraw/zinc/32/26/15/908322615.db2.gz DCUBPFPSOIDPPN-HNNXBMFYSA-N 0 0 397.422 3.859 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCSc2ccc(Cl)cc2)C1 ZINC000190050551 908412763 /nfs/dbraw/zinc/41/27/63/908412763.db2.gz JXGUTCWFAMKMIS-GDBMZVCRSA-N 0 0 395.912 3.892 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000190057775 908414774 /nfs/dbraw/zinc/41/47/74/908414774.db2.gz AYHRLTLSGQEUHE-AAEUAGOBSA-N 0 0 387.383 3.592 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)C1 ZINC000190060558 908416210 /nfs/dbraw/zinc/41/62/10/908416210.db2.gz XJBVYUIRBJCPQW-LYRGGWFBSA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C(C)(C)Cc2cccc(Cl)c2)C1 ZINC000190079702 908422022 /nfs/dbraw/zinc/42/20/22/908422022.db2.gz NEMMMLCATOQMCQ-HOTGVXAUSA-N 0 0 377.872 3.589 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(c2nc3ccccc3c(-c3ccccc3)n2)C1 ZINC000190085507 908423335 /nfs/dbraw/zinc/42/33/35/908423335.db2.gz CFLSBMJBBQCGNN-APWZRJJASA-N 0 0 387.443 3.955 10 0 GHAERN CCCCOc1cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)ccc1OC ZINC000190152545 908441358 /nfs/dbraw/zinc/44/13/58/908441358.db2.gz SHYVRABKOZJIPI-IAGOWNOFSA-N 0 0 375.469 3.528 10 0 GHAERN CCS[C@H](C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C)C(C)C ZINC000103816523 911201342 /nfs/dbraw/zinc/20/13/42/911201342.db2.gz RHMOCABNICSSTE-AEFFLSMTSA-N 0 0 380.554 3.731 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1cnn(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000375415711 928280422 /nfs/dbraw/zinc/28/04/22/928280422.db2.gz NBZSHNALORQCFX-SSKFGXFMSA-N 0 0 375.472 3.980 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528357 1014585227 /nfs/dbraw/zinc/58/52/27/1014585227.db2.gz WUIGJZZFMBWGBV-QVKFZJNVSA-N 0 0 398.478 3.938 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185528397 1014585451 /nfs/dbraw/zinc/58/54/51/1014585451.db2.gz WUIGJZZFMBWGBV-VFNWGFHPSA-N 0 0 398.478 3.938 10 0 GHAERN COc1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)ccc1Cl ZINC000185530697 1014585647 /nfs/dbraw/zinc/58/56/47/1014585647.db2.gz MKCYFORCULJZRB-GOSISDBHSA-N 0 0 390.842 3.711 10 0 GHAERN CCOc1ccc(Nc2nnc(CSc3ccc(F)cc3)c(=O)n2C)cc1 ZINC000334162151 212108166 /nfs/dbraw/zinc/10/81/66/212108166.db2.gz KWBKAKBLYMFBKQ-UHFFFAOYSA-N 0 0 386.452 3.749 10 0 GHAERN COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCCCCC2)cc1 ZINC000009301104 221077078 /nfs/dbraw/zinc/07/70/78/221077078.db2.gz LRKHLOVUYNSRNG-MRXNPFEDSA-N 0 0 399.516 3.836 10 0 GHAERN COc1ccc(-c2cc(-c3cc(OC)ccc3OC)c3c(N)ncnc3n2)cc1 ZINC000009694572 221090376 /nfs/dbraw/zinc/09/03/76/221090376.db2.gz WUAQJSMQHBBGEH-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN CC(C)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012202371 221167208 /nfs/dbraw/zinc/16/72/08/221167208.db2.gz ZYBZWJKTZSUBGQ-UHFFFAOYSA-N 0 0 386.473 3.654 10 0 GHAERN O=C(NC[C@H]1CC12CCCCC2)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000012386149 221187856 /nfs/dbraw/zinc/18/78/56/221187856.db2.gz SIUKBCLFJUHCOS-CQSZACIVSA-N 0 0 384.432 3.683 10 0 GHAERN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731679 221285639 /nfs/dbraw/zinc/28/56/39/221285639.db2.gz INYPAHDNBVJAAE-FQEVSTJZSA-N 0 0 388.427 3.536 10 0 GHAERN COc1cccc(C(=O)[C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)c1 ZINC000015062694 221328233 /nfs/dbraw/zinc/32/82/33/221328233.db2.gz QUAAFYWLUVRCMI-KRWDZBQOSA-N 0 0 391.471 3.626 10 0 GHAERN CCc1cccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730476 221342769 /nfs/dbraw/zinc/34/27/69/221342769.db2.gz GMNFNRVEMMQQHC-GFCCVEGCSA-N 0 0 376.503 3.873 10 0 GHAERN COc1ccc(C(=O)Nc2nc(CC(=O)N(C(C)C)C(C)C)cs2)cc1 ZINC000015880970 221350778 /nfs/dbraw/zinc/35/07/78/221350778.db2.gz YRAAVTSWWPUXTI-UHFFFAOYSA-N 0 0 375.494 3.592 10 0 GHAERN O=C(CSc1ccccc1)NC[C@H]1Cc2cc(-c3cccnc3)ccc2O1 ZINC000020536571 221497915 /nfs/dbraw/zinc/49/79/15/221497915.db2.gz PFAPJGPBFNHWCA-LJQANCHMSA-N 0 0 376.481 3.961 10 0 GHAERN O=C(NCCC1=CCCCC1)c1ccc(-c2cc(N3CCOCC3)ncn2)cc1 ZINC000064989415 136158508 /nfs/dbraw/zinc/15/85/08/136158508.db2.gz ZPXYBRPUDBEMGD-UHFFFAOYSA-N 0 0 392.503 3.601 10 0 GHAERN COc1ccc(NC(=O)[C@H]2CCc3nc(N4CCC(C)CC4)ncc3C2)cc1F ZINC000065289508 136162617 /nfs/dbraw/zinc/16/26/17/136162617.db2.gz LTFXJUPVHUVCQD-HNNXBMFYSA-N 0 0 398.482 3.604 10 0 GHAERN Cc1ncc(-c2cc(C(=O)NC3Cc4ccccc4C3)c3ccccc3n2)cn1 ZINC000023478784 221597525 /nfs/dbraw/zinc/59/75/25/221597525.db2.gz CIEGRSTWSWBUGD-UHFFFAOYSA-N 0 0 380.451 3.897 10 0 GHAERN CCNC(=O)Nc1ccc2c(c1)CN(Cc1cccc(OC)c1)C(=O)[C@@H](CC)O2 ZINC000035909911 221835459 /nfs/dbraw/zinc/83/54/59/221835459.db2.gz ZKGRGBGZMSRQGT-LJQANCHMSA-N 0 0 397.475 3.536 10 0 GHAERN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000065180083 222107349 /nfs/dbraw/zinc/10/73/49/222107349.db2.gz YDCFCDSNZOTRDH-UHFFFAOYSA-N 0 0 384.520 3.777 10 0 GHAERN Cc1sc2c(ncn(CC3CC3)c2=O)c1C(=O)NCc1cccc(Cl)c1 ZINC000065297801 222121993 /nfs/dbraw/zinc/12/19/93/222121993.db2.gz OBIRVCLYUWKIJH-UHFFFAOYSA-N 0 0 387.892 3.760 10 0 GHAERN CCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000067235835 222141426 /nfs/dbraw/zinc/14/14/26/222141426.db2.gz BCAABUBUJIXEAN-UHFFFAOYSA-N 0 0 384.505 3.907 10 0 GHAERN CSc1nc(Cl)cc(N(C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095076645 222328753 /nfs/dbraw/zinc/32/87/53/222328753.db2.gz QTWSOIIJBOZODU-GFCCVEGCSA-N 0 0 386.949 3.935 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](=O)c2nc3ccccc3nc2Cl)C1 ZINC000095084891 222330243 /nfs/dbraw/zinc/33/02/43/222330243.db2.gz GBTCCZTXRGQMFI-RYZVSIALSA-N 0 0 395.912 3.790 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1C[S@@](=O)c1nc2ccccc2nc1Cl ZINC000095086030 222330701 /nfs/dbraw/zinc/33/07/01/222330701.db2.gz HPNQKURYBKTCOH-QDXKXIGTSA-N 0 0 395.912 3.790 10 0 GHAERN CN(C(=O)OC(C)(C)C)[C@@H](C[C@@H]1CCCOC1)NC(=O)OCc1ccccc1 ZINC000095912897 222360461 /nfs/dbraw/zinc/36/04/61/222360461.db2.gz FVDZZYVEJZKLNE-ROUUACIJSA-N 0 0 392.496 3.923 10 0 GHAERN Cc1ccccc1NC(=O)CN1c2ncccc2N=C(c2ccccc2)CC1=O ZINC000101882038 222476957 /nfs/dbraw/zinc/47/69/57/222476957.db2.gz ITWKVDLQKYMFDA-UHFFFAOYSA-N 0 0 384.439 3.886 10 0 GHAERN CCN1CCc2c(c(CN(CC(C)C)C(=O)C3CC3)nn2-c2ccccc2)C1 ZINC000034762439 570332990 /nfs/dbraw/zinc/33/29/90/570332990.db2.gz SFIWRTACJMUHEN-UHFFFAOYSA-N 0 0 380.536 3.645 10 0 GHAERN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OC(=O)Cc3ccccc3)C(=O)[C@H]2C1 ZINC000251558006 570472807 /nfs/dbraw/zinc/47/28/07/570472807.db2.gz BFWXVVPJWJZVTH-NXHRZFHOSA-N 0 0 377.440 3.760 10 0 GHAERN Cc1ccccc1[C@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)NCC1CC1 ZINC000036052369 570523033 /nfs/dbraw/zinc/52/30/33/570523033.db2.gz JSQHTNBLUGQDSV-NHCUHLMSSA-N 0 0 380.463 3.516 10 0 GHAERN CCC(=O)N1CCN([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311749 570611437 /nfs/dbraw/zinc/61/14/37/570611437.db2.gz NTBDTNSICNPMOC-QFIPXVFZSA-N 0 0 385.552 3.862 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1)CCCC2 ZINC000275696128 570698557 /nfs/dbraw/zinc/69/85/57/570698557.db2.gz XGPPPCAVFJUKLI-NRFANRHFSA-N 0 0 375.520 3.881 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)[C@@H]1COc2ccccc21 ZINC000189674306 570772610 /nfs/dbraw/zinc/77/26/10/570772610.db2.gz CIOCVPPSYRNIDF-AEFFLSMTSA-N 0 0 378.472 3.829 10 0 GHAERN C[C@H]1CN(C(=O)Nc2cc(F)cc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1 ZINC000097125494 570898062 /nfs/dbraw/zinc/89/80/62/570898062.db2.gz ZYUIBNXABVKEPT-ZBEGNZNMSA-N 0 0 385.374 3.677 10 0 GHAERN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(C(=O)Nc1ccccn1)CC2 ZINC000548022541 570904563 /nfs/dbraw/zinc/90/45/63/570904563.db2.gz ZGPKKOOGRPIMLR-KRWDZBQOSA-N 0 0 384.505 3.578 10 0 GHAERN CCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000004796018 570994136 /nfs/dbraw/zinc/99/41/36/570994136.db2.gz WXEVGMOAGJCEHQ-UHFFFAOYSA-N 0 0 379.453 3.740 10 0 GHAERN Cc1nnc([C@@H](NC(=O)NCCc2c[nH]c3cccc(C)c23)c2ccccc2)[nH]1 ZINC000105244170 837527148 /nfs/dbraw/zinc/52/71/48/837527148.db2.gz UALHYILYRSSRMT-FQEVSTJZSA-N 0 0 388.475 3.534 10 0 GHAERN CCN(CCc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000105887839 837608385 /nfs/dbraw/zinc/60/83/85/837608385.db2.gz UJBHAPOTVQPAQM-UHFFFAOYSA-N 0 0 382.479 3.769 10 0 GHAERN Nc1c(Cl)cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000156548762 834431904 /nfs/dbraw/zinc/43/19/04/834431904.db2.gz HHVUMFZOGDCJAB-UHFFFAOYSA-N 0 0 398.315 3.625 10 0 GHAERN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)NC1CCC(C(F)(F)F)CC1 ZINC000121713341 834650035 /nfs/dbraw/zinc/65/00/35/834650035.db2.gz OOBKPHKPFOVMRZ-WXRRBKDZSA-N 0 0 390.837 3.734 10 0 GHAERN COc1ccc(C(C)(C)C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000157537199 834975088 /nfs/dbraw/zinc/97/50/88/834975088.db2.gz MZPYGVORUGVNLB-UHFFFAOYSA-N 0 0 386.536 3.614 10 0 GHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(-n4cccn4)c(Cl)c3)C2)c1 ZINC000111749271 834991080 /nfs/dbraw/zinc/99/10/80/834991080.db2.gz XBWJLDQYYOFRBE-INIZCTEOSA-N 0 0 384.871 3.900 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc2c(cc1Br)OCCO2 ZINC000246912313 835137676 /nfs/dbraw/zinc/13/76/76/835137676.db2.gz URWKCXTVSCKTJX-YVECIDJPSA-N 0 0 398.297 3.601 10 0 GHAERN CC(=O)N1CCCc2cc(NC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)ccc21 ZINC000329592147 835314516 /nfs/dbraw/zinc/31/45/16/835314516.db2.gz BXFKIEXYZRCSNZ-WMZHIEFXSA-N 0 0 376.456 3.665 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)C3(c4ccccc4F)CCCC3)C2)n1 ZINC000329617717 835429462 /nfs/dbraw/zinc/42/94/62/835429462.db2.gz DTTGSDJKAIJBFW-SFHVURJKSA-N 0 0 384.499 3.785 10 0 GHAERN CC[C@H](NC(=O)N1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000159146872 835740260 /nfs/dbraw/zinc/74/02/60/835740260.db2.gz KCDFMHIBLJBBOW-AABGKKOBSA-N 0 0 381.476 3.521 10 0 GHAERN O=C([C@@H]1C[C@@]12CCOc1ccccc12)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000329737400 835821093 /nfs/dbraw/zinc/82/10/93/835821093.db2.gz TUFUUVZNWVNJEF-YCRNBWNJSA-N 0 0 376.456 3.657 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000246024305 835893175 /nfs/dbraw/zinc/89/31/75/835893175.db2.gz VIZRMWDFXSZLGE-KFWWJZLASA-N 0 0 399.461 3.972 10 0 GHAERN O=C(NC[C@H]1CCCn2ccnc21)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332691695 836453200 /nfs/dbraw/zinc/45/32/00/836453200.db2.gz TYQWOPYIWCWTNH-AEFFLSMTSA-N 0 0 380.492 3.896 10 0 GHAERN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332728014 836490292 /nfs/dbraw/zinc/49/02/92/836490292.db2.gz WJKQAMPWCLYAGL-ZBEGNZNMSA-N 0 0 396.318 3.823 10 0 GHAERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1)C(C)C ZINC000332789722 836626371 /nfs/dbraw/zinc/62/63/71/836626371.db2.gz KSBAMQUPADCVLE-DFQSSKMNSA-N 0 0 385.508 3.553 10 0 GHAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000332831230 836725790 /nfs/dbraw/zinc/72/57/90/836725790.db2.gz FCSZYIPVMPVWPS-BPAFIMBUSA-N 0 0 379.508 3.785 10 0 GHAERN CC(C)c1nc([C@H]2COCCN2C(=O)N[C@H]2c3ccccc3CCC2(C)C)no1 ZINC000332874401 836833172 /nfs/dbraw/zinc/83/31/72/836833172.db2.gz JFZGOKXZZIFSDL-MSOLQXFVSA-N 0 0 398.507 3.990 10 0 GHAERN Cc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1N1CCCS1(=O)=O ZINC000246359153 837345769 /nfs/dbraw/zinc/34/57/69/837345769.db2.gz GPIVMBCCKWBENN-RYRKJORJSA-N 0 0 391.537 3.720 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@H](c4cccs4)C3)CCO2)n1 ZINC000333202912 844263973 /nfs/dbraw/zinc/26/39/73/844263973.db2.gz RUCBLMFUAPPVPH-ZNMIVQPWSA-N 0 0 393.534 3.516 10 0 GHAERN c1ccc2c(c1)sc1ncnc(N3CCC[C@@H](c4nnc5n4CCC5)C3)c21 ZINC000408422646 844278272 /nfs/dbraw/zinc/27/82/72/844278272.db2.gz JKXVNIFUUREPLZ-CYBMUJFWSA-N 0 0 376.489 3.766 10 0 GHAERN CCc1nc2n(n1)CCC[C@H]2NC(=O)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000152236930 838217368 /nfs/dbraw/zinc/21/73/68/838217368.db2.gz XGISTDAVJFCDCH-OAHLLOKOSA-N 0 0 394.306 3.750 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Cl)ccc2Br)[nH]1 ZINC000407980794 838378386 /nfs/dbraw/zinc/37/83/86/838378386.db2.gz NGNDJFXGGORZKK-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN O=C(c1cc(Br)sc1Br)N1CCCC[C@@H](CO)C1 ZINC000378206174 838615878 /nfs/dbraw/zinc/61/58/78/838615878.db2.gz OOXAPQRNLRRYAZ-MRVPVSSYSA-N 0 0 397.132 3.508 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000182533321 838751650 /nfs/dbraw/zinc/75/16/50/838751650.db2.gz NYMMTLKGIIMPTL-QLJPJBMISA-N 0 0 389.240 3.886 10 0 GHAERN Clc1cc(Cl)cc(-c2nnc3ccc(N4CCO[C@@H]5CCC[C@H]54)nn32)c1 ZINC000330188949 838823820 /nfs/dbraw/zinc/82/38/20/838823820.db2.gz UVFGRCVSQPJHED-HUUCEWRRSA-N 0 0 390.274 3.856 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)c1ccc3[nH]c4c(c3c1)C[C@H](C)CC4)C2 ZINC000408032971 838923581 /nfs/dbraw/zinc/92/35/81/838923581.db2.gz FWFFZQCGUGBBDL-CQSZACIVSA-N 0 0 377.492 3.664 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)NCc3oc4ccccc4c3C)CC2)s1 ZINC000115835102 839163745 /nfs/dbraw/zinc/16/37/45/839163745.db2.gz SELXBEUROWNLQY-UHFFFAOYSA-N 0 0 384.505 3.534 10 0 GHAERN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000116776713 839414605 /nfs/dbraw/zinc/41/46/05/839414605.db2.gz DMMBYTKVVOMSCK-UYAOXDASSA-N 0 0 396.535 3.652 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H](C)Cc3ccc(C)cc3C)C2)n1 ZINC000117048119 839538992 /nfs/dbraw/zinc/53/89/92/839538992.db2.gz FSNSMUNBUFXTEG-FXAWDEMLSA-N 0 0 383.540 3.565 10 0 GHAERN O=C1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c3ccccc32)C2(CCC2)N1 ZINC000328743143 839724444 /nfs/dbraw/zinc/72/44/44/839724444.db2.gz NFGLSPGIJACSEF-MRXNPFEDSA-N 0 0 378.881 3.813 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000332776860 844563294 /nfs/dbraw/zinc/56/32/94/844563294.db2.gz MBWKGIPCDBJFNE-DNVCBOLYSA-N 0 0 397.523 3.830 10 0 GHAERN CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C12CCCC2 ZINC000332776919 844563378 /nfs/dbraw/zinc/56/33/78/844563378.db2.gz MRYQXWWOYWRVQC-RSPOEFSDSA-N 0 0 389.540 3.786 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208591 840761201 /nfs/dbraw/zinc/76/12/01/840761201.db2.gz XMWFPMXLDSFTSX-HNNXBMFYSA-N 0 0 396.564 3.840 10 0 GHAERN CCc1nccn1[C@H]1CCCN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C1 ZINC000106214942 840780142 /nfs/dbraw/zinc/78/01/42/840780142.db2.gz QEVIACKGTKFZJX-AWEZNQCLSA-N 0 0 396.564 3.748 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc2)c(C)c1Cl ZINC000119371384 841054628 /nfs/dbraw/zinc/05/46/28/841054628.db2.gz HKSHMMVIUZTECD-UTKZUKDTSA-N 0 0 387.911 3.910 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000332873924 844617618 /nfs/dbraw/zinc/61/76/18/844617618.db2.gz XYSDNCDTEIGYKI-FCGDIQPGSA-N 0 0 390.911 3.913 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000332910071 844624302 /nfs/dbraw/zinc/62/43/02/844624302.db2.gz QPCPWOQSJFJYAC-SOUVJXGZSA-N 0 0 399.461 3.940 10 0 GHAERN C[C@H]1CCN(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000332896926 844629459 /nfs/dbraw/zinc/62/94/59/844629459.db2.gz JLWPUAQPDDEPRD-WMZOPIPTSA-N 0 0 390.549 3.907 10 0 GHAERN CCOc1cc(/C=C\C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000588413800 841450834 /nfs/dbraw/zinc/45/08/34/841450834.db2.gz KTVBATIHHFOIPP-OZDBMWFJSA-N 0 0 385.435 3.932 10 0 GHAERN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000328792549 841459922 /nfs/dbraw/zinc/45/99/22/841459922.db2.gz RKJHCRSNAMBAJE-SFTDATJTSA-N 0 0 388.471 3.718 10 0 GHAERN O=C(/C=C\c1ccncn1)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000588413758 841464458 /nfs/dbraw/zinc/46/44/58/841464458.db2.gz ODNGXSMKYXLSBN-GXMNPTEKSA-N 0 0 375.272 3.928 10 0 GHAERN Cc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C3CCCCC3)cc2)no1 ZINC000329271034 861229046 /nfs/dbraw/zinc/22/90/46/861229046.db2.gz HICMYFPFLCVCSZ-GOSISDBHSA-N 0 0 375.494 3.952 10 0 GHAERN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1cccc2ncccc21 ZINC000105988158 841846216 /nfs/dbraw/zinc/84/62/16/841846216.db2.gz JNOKKBOHOGHMTH-OAQYLSRUSA-N 0 0 395.890 3.692 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)Nc3cccc4ccc(O)cc43)c(=O)[nH]c21 ZINC000588422790 841928150 /nfs/dbraw/zinc/92/81/50/841928150.db2.gz IYYWBOOUDPMHQO-CLFYSBASSA-N 0 0 388.427 3.816 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCN(C(=O)c3ccsc3)CC2)c2ccccc2O1 ZINC000408289185 842093718 /nfs/dbraw/zinc/09/37/18/842093718.db2.gz BSSVTYUIVPTHOS-KRWDZBQOSA-N 0 0 399.516 3.518 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408191080 842205527 /nfs/dbraw/zinc/20/55/27/842205527.db2.gz FQAGCLUZZUDGNH-NCXUSEDFSA-N 0 0 376.472 3.765 10 0 GHAERN CC(C)c1ccc(N2C(=O)C(=Cc3cnn(-c4ccccc4)n3)NC2=S)cc1 ZINC000104741790 842232584 /nfs/dbraw/zinc/23/25/84/842232584.db2.gz IKDZHELQETUXDE-UNOMPAQXSA-N 0 0 389.484 3.653 10 0 GHAERN CC[C@H](Oc1ccccc1Cl)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433736 842418195 /nfs/dbraw/zinc/41/81/95/842418195.db2.gz DVCYIQPUBXBCJP-CDNLZTBQSA-N 0 0 382.888 3.695 10 0 GHAERN CC(C)c1cccc(O[C@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000588434356 842479743 /nfs/dbraw/zinc/47/97/43/842479743.db2.gz GJFZFUQGXIPPDL-XITLMJRVSA-N 0 0 376.497 3.774 10 0 GHAERN CC(C)c1cccc(O[C@@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000588434355 842479921 /nfs/dbraw/zinc/47/99/21/842479921.db2.gz GJFZFUQGXIPPDL-PTZVLDCSSA-N 0 0 376.497 3.774 10 0 GHAERN Cc1cccc2ncnc(N3CC[C@H](Oc4cccnc4N4CCCC4)C3)c12 ZINC000329360778 861324810 /nfs/dbraw/zinc/32/48/10/861324810.db2.gz CGBJOFGPSGBFOS-KRWDZBQOSA-N 0 0 375.476 3.591 10 0 GHAERN COc1cc(C)c(Br)cc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000184585380 842853666 /nfs/dbraw/zinc/85/36/66/842853666.db2.gz KPYGDSCMUAFHHH-SCLBCKFNSA-N 0 0 397.313 3.925 10 0 GHAERN Cc1cc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)n(Cc2ccccc2)n1 ZINC000162720159 842854685 /nfs/dbraw/zinc/85/46/85/842854685.db2.gz NNJIDODGESIRPZ-LJQANCHMSA-N 0 0 380.448 3.747 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)c2ccccc2O1 ZINC000247640298 843007679 /nfs/dbraw/zinc/00/76/79/843007679.db2.gz VOVPVGMRNBBAOK-SCTDSRPQSA-N 0 0 384.520 3.834 10 0 GHAERN Cc1ccc(-c2[nH]nc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)c2C)o1 ZINC000161532839 843096746 /nfs/dbraw/zinc/09/67/46/843096746.db2.gz LGRNZGZVFQWADD-OAHLLOKOSA-N 0 0 382.445 3.728 10 0 GHAERN Cc1ccc(Br)c(C(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000162330631 843237343 /nfs/dbraw/zinc/23/73/43/843237343.db2.gz MDBLLMVLMGMYJS-UHFFFAOYSA-N 0 0 376.298 3.586 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000162440628 843260326 /nfs/dbraw/zinc/26/03/26/843260326.db2.gz RBGWOFDWKXXBDG-HUUCEWRRSA-N 0 0 375.875 3.797 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000588451274 843297506 /nfs/dbraw/zinc/29/75/06/843297506.db2.gz KUSQRVOIKKLDEP-FPLPWBNLSA-N 0 0 375.394 3.771 10 0 GHAERN Cc1ccc2ncnc(N3CC[C@@H](Oc4cccnc4N4CCCC4)C3)c2c1 ZINC000329426231 861404620 /nfs/dbraw/zinc/40/46/20/861404620.db2.gz GCFMMOIDOFDGEO-QGZVFWFLSA-N 0 0 375.476 3.591 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000588454792 843339521 /nfs/dbraw/zinc/33/95/21/843339521.db2.gz PHTWQLDOWUJQET-SEYXRHQNSA-N 0 0 393.468 3.843 10 0 GHAERN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408245620 843565605 /nfs/dbraw/zinc/56/56/05/843565605.db2.gz HCWAHUJJUAMIMY-LJQANCHMSA-N 0 0 389.908 3.514 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330302237 843610069 /nfs/dbraw/zinc/61/00/69/843610069.db2.gz JKMSGZYJCBSICL-IFXJQAMLSA-N 0 0 388.464 3.641 10 0 GHAERN O=C([C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl)N1CCc2cncnc2C1 ZINC000329474557 861496466 /nfs/dbraw/zinc/49/64/66/861496466.db2.gz ZZOAUIYYQHLVDT-MAUKXSAKSA-N 0 0 392.286 3.836 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1)[C@H]1Cc2ccccc2O1 ZINC000333000745 845465413 /nfs/dbraw/zinc/46/54/13/845465413.db2.gz HPFBTRUDYRNUCE-NYSBEXSLSA-N 0 0 376.456 3.643 10 0 GHAERN C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCS(=O)(=O)c4ccccc43)cc2C1 ZINC000026152805 845476304 /nfs/dbraw/zinc/47/63/04/845476304.db2.gz CNYBLZFUOZJECS-IUODEOHRSA-N 0 0 375.515 3.521 10 0 GHAERN CCOc1c(Cl)cc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000151789272 845725966 /nfs/dbraw/zinc/72/59/66/845725966.db2.gz MQLAPUOIPAXCMS-KRWDZBQOSA-N 0 0 379.840 3.862 10 0 GHAERN O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(-n2cnnn2)cc1Cl ZINC000104350928 845829165 /nfs/dbraw/zinc/82/91/65/845829165.db2.gz IECXZMLYILJZEL-UHFFFAOYSA-N 0 0 393.838 3.712 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H](Cc3nccn3C)C2)ccc1OC(C)C ZINC000119665940 846199319 /nfs/dbraw/zinc/19/93/19/846199319.db2.gz JKQDMLJTMMAXNV-RQMBKDMJSA-N 0 0 397.519 3.710 10 0 GHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)C12CCCC2 ZINC000329604349 861751122 /nfs/dbraw/zinc/75/11/22/861751122.db2.gz YWRVJHZUDADFGG-QZTJIDSGSA-N 0 0 386.471 3.525 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000045440047 847098189 /nfs/dbraw/zinc/09/81/89/847098189.db2.gz PTCIEOXXUUDDGU-IRXDYDNUSA-N 0 0 397.441 3.584 10 0 GHAERN CC(C)c1nc(CN2CCO[C@@H](c3ccc(Br)cc3)[C@H]2C)no1 ZINC000152469942 847143192 /nfs/dbraw/zinc/14/31/92/847143192.db2.gz KSMHWTPPBMBCBL-MLGOLLRUSA-N 0 0 380.286 3.918 10 0 GHAERN CC1(C)C[C@H](NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c2ccccc2O1 ZINC000246663717 847342642 /nfs/dbraw/zinc/34/26/42/847342642.db2.gz LUOFYNOSHUEAAZ-UVFQYZLESA-N 0 0 376.522 3.643 10 0 GHAERN O=C(Nc1cccc(C2SCCS2)c1)C1CCN(c2ncccn2)CC1 ZINC000119900083 847410972 /nfs/dbraw/zinc/41/09/72/847410972.db2.gz PLIOYAOWABDAMW-UHFFFAOYSA-N 0 0 386.546 3.810 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)c1 ZINC000588525417 847414934 /nfs/dbraw/zinc/41/49/34/847414934.db2.gz YQYMLPMNJQAIHV-KOESHJNESA-N 0 0 397.478 3.925 10 0 GHAERN Cc1cc(C2CCN(C(=O)/C=C\c3ccncn3)CC2)ccc1Br ZINC000588527849 847659320 /nfs/dbraw/zinc/65/93/20/847659320.db2.gz PJSBGGPNMYESCU-HYXAFXHYSA-N 0 0 386.293 3.967 10 0 GHAERN O=[S@](Cc1nc(-c2ccsc2)no1)Cc1nnc(-c2ccccc2)s1 ZINC000121073580 848689204 /nfs/dbraw/zinc/68/92/04/848689204.db2.gz XBOLHYHUSBMHRM-VWLOTQADSA-N 0 0 388.499 3.766 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000153669239 848881106 /nfs/dbraw/zinc/88/11/06/848881106.db2.gz UWYSYXPAIFBOIW-LIRRHRJNSA-N 0 0 385.464 3.722 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(Cc3ccccc3)CC(F)F)CC2)nc1 ZINC000153890654 849105922 /nfs/dbraw/zinc/10/59/22/849105922.db2.gz YAVPWMKDYDGHTO-UHFFFAOYSA-N 0 0 388.462 3.836 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CCO2)o1 ZINC000154029791 849172593 /nfs/dbraw/zinc/17/25/93/849172593.db2.gz RTPUYMYKQHBZGE-LJQANCHMSA-N 0 0 385.464 3.640 10 0 GHAERN CC(C)(C)c1nc(CCNC(=O)C[C@@H]2Sc3ccccc3NC2=O)cs1 ZINC000155412495 849524212 /nfs/dbraw/zinc/52/42/12/849524212.db2.gz UXLPDMWALITLNJ-HNNXBMFYSA-N 0 0 389.546 3.602 10 0 GHAERN COc1ccc(CCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)c(OC)c1 ZINC000155927783 849701266 /nfs/dbraw/zinc/70/12/66/849701266.db2.gz HIPHCNUHPOHGLL-UHFFFAOYSA-N 0 0 397.519 3.515 10 0 GHAERN Cc1cccc(F)c1-n1nc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c2c1CCC2 ZINC000333754636 850077030 /nfs/dbraw/zinc/07/70/30/850077030.db2.gz OCMFPUGTVMTREZ-MWTRTKDXSA-N 0 0 397.494 3.576 10 0 GHAERN CC(C)[C@H]1OCCC[C@H]1Nc1nccc(N2CCC(c3nccs3)CC2)n1 ZINC000329692211 862093812 /nfs/dbraw/zinc/09/38/12/862093812.db2.gz GUIMHDXGDBSKLX-SJLPKXTDSA-N 0 0 387.553 3.933 10 0 GHAERN CSc1nc(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)c2ccccn21 ZINC000101531798 851645048 /nfs/dbraw/zinc/64/50/48/851645048.db2.gz ULRZCSFPEJHEPF-UHFFFAOYSA-N 0 0 396.447 3.823 10 0 GHAERN Cc1ccc(S(=O)(=O)NCCc2coc(-c3ccc(F)cc3)n2)c(Cl)c1 ZINC000101582067 851691718 /nfs/dbraw/zinc/69/17/18/851691718.db2.gz GTZUEYAXWZZIPC-UHFFFAOYSA-N 0 0 394.855 3.964 10 0 GHAERN COc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2-c2ccccc2)cc1 ZINC000101677357 851812248 /nfs/dbraw/zinc/81/22/48/851812248.db2.gz MMUMOUQKVKAYTB-UHFFFAOYSA-N 0 0 388.467 3.751 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2cccc(Br)c2)CC1 ZINC000101735004 851858431 /nfs/dbraw/zinc/85/84/31/851858431.db2.gz VEEQLZHSZRGWRO-ZDUSSCGKSA-N 0 0 396.329 3.854 10 0 GHAERN CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000101746850 851865775 /nfs/dbraw/zinc/86/57/75/851865775.db2.gz FDNCKPMIKLKNEF-AWEZNQCLSA-N 0 0 379.476 3.629 10 0 GHAERN CC[S@@](=O)c1ccccc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101880345 851974190 /nfs/dbraw/zinc/97/41/90/851974190.db2.gz KGNULKCMBLQNJF-MHZLTWQESA-N 0 0 380.473 3.729 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 ZINC000014575145 852330233 /nfs/dbraw/zinc/33/02/33/852330233.db2.gz LMUIDSZVCUHWGR-ZDUSSCGKSA-N 0 0 390.405 3.834 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cs1 ZINC000330027826 862516389 /nfs/dbraw/zinc/51/63/89/862516389.db2.gz NPUYUPVYLYBULN-LSBZLQRGSA-N 0 0 383.517 3.725 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CCO[C@@H](c3cccs3)C1)C2 ZINC000334090578 854046844 /nfs/dbraw/zinc/04/68/44/854046844.db2.gz NXQSRSPAGQZVIS-RHSMWYFYSA-N 0 0 388.537 3.593 10 0 GHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328710735 854518008 /nfs/dbraw/zinc/51/80/08/854518008.db2.gz MUUORSSPHCNBOZ-OMXJDXKCSA-N 0 0 397.494 3.920 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N[C@H]3CCC(=O)NC34CCC4)c3c2CCC3)c(C)c1 ZINC000328711990 854518450 /nfs/dbraw/zinc/51/84/50/854518450.db2.gz BJZDDHSUFUOAQG-IBGZPJMESA-N 0 0 392.503 3.749 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N[C@H]3CCC(=O)NC34CCC4)c3c2CCCC3)cc1 ZINC000328741047 854523510 /nfs/dbraw/zinc/52/35/10/854523510.db2.gz MCYOGGREQZXSAB-IBGZPJMESA-N 0 0 392.503 3.831 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000328948391 854613580 /nfs/dbraw/zinc/61/35/80/854613580.db2.gz HBACPWXFKYURBF-BBWFWOEESA-N 0 0 393.409 3.749 10 0 GHAERN O=C(c1csc([C@@H]2CCCO2)n1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000124563763 854630192 /nfs/dbraw/zinc/63/01/92/854630192.db2.gz RKBQVGMZLDPMAC-ZBFHGGJFSA-N 0 0 378.881 3.942 10 0 GHAERN O=C(c1c[nH]c2cccc(Br)c12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000157787734 854924903 /nfs/dbraw/zinc/92/49/03/854924903.db2.gz CIAFCPVFBOEOPY-KZULUSFZSA-N 0 0 377.282 3.698 10 0 GHAERN CC1(C)CCC[C@@H](CC(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)C1 ZINC000127558311 855019401 /nfs/dbraw/zinc/01/94/01/855019401.db2.gz HBAYRQUWOMSYGB-HNNXBMFYSA-N 0 0 378.538 3.549 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000106368438 855225468 /nfs/dbraw/zinc/22/54/68/855225468.db2.gz HIQDGDXTFIFRSK-OAHLLOKOSA-N 0 0 388.320 3.870 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000190144695 855419817 /nfs/dbraw/zinc/41/98/17/855419817.db2.gz WXCINKAVBXXTAN-ZBFHGGJFSA-N 0 0 396.274 3.923 10 0 GHAERN Cc1cc2cccnc2c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092220462 855542187 /nfs/dbraw/zinc/54/21/87/855542187.db2.gz ZKHDTUQJZIOSMG-ZIAGYGMSSA-N 0 0 379.382 3.719 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCC(C)(C)Cc2cccc(Cl)c2)C[C@H]1C ZINC000191052926 855563247 /nfs/dbraw/zinc/56/32/47/855563247.db2.gz INYZKHXZAHXWIF-PBHICJAKSA-N 0 0 380.916 3.749 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000330293307 862749056 /nfs/dbraw/zinc/74/90/56/862749056.db2.gz HQXGOCSASIIXDZ-OTWHNJEPSA-N 0 0 399.491 3.569 10 0 GHAERN COc1cc(C)ccc1NC(=O)N1CCN(c2nc(C)cc(C(C)C)n2)CC1 ZINC000186385541 856494456 /nfs/dbraw/zinc/49/44/56/856494456.db2.gz ZDVCNGBSGRAGFD-UHFFFAOYSA-N 0 0 383.496 3.580 10 0 GHAERN COc1cc(OC)cc(-c2nnc(SCc3nc(-c4ccoc4)no3)o2)c1 ZINC000105571565 856859272 /nfs/dbraw/zinc/85/92/72/856859272.db2.gz ODRSOSAGRJRYOO-UHFFFAOYSA-N 0 0 386.389 3.689 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O)c1ccc(Br)cn1 ZINC000281424769 863020849 /nfs/dbraw/zinc/02/08/49/863020849.db2.gz GCWYJGITSYVOKJ-LBRJOISOSA-N 0 0 396.329 3.630 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)C12CCCC2 ZINC000133719102 858817040 /nfs/dbraw/zinc/81/70/40/858817040.db2.gz WBYSHRCCMSVQDV-VQTJNVASSA-N 0 0 385.508 3.797 10 0 GHAERN O=C(Nc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1)C1CC1 ZINC000012436171 860081937 /nfs/dbraw/zinc/08/19/37/860081937.db2.gz VIYBVQCFKNGVNW-UHFFFAOYSA-N 0 0 397.500 3.588 10 0 GHAERN O=C(NCc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000012624044 860083754 /nfs/dbraw/zinc/08/37/54/860083754.db2.gz PMWJBCGMQTURLL-UHFFFAOYSA-N 0 0 396.434 3.936 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)C1 ZINC000172460198 860434235 /nfs/dbraw/zinc/43/42/35/860434235.db2.gz FOUXVNDPHACOET-DYXWJJEUSA-N 0 0 382.508 3.712 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)NC(=O)CC3CCCCC3)C2)n1 ZINC000173075391 860435812 /nfs/dbraw/zinc/43/58/12/860435812.db2.gz RIUMOGALFMDTLU-NVXWUHKLSA-N 0 0 377.554 3.633 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)C2)n1 ZINC000173063297 860436119 /nfs/dbraw/zinc/43/61/19/860436119.db2.gz QHXVNTRIWYKKAC-SJLPKXTDSA-N 0 0 399.516 3.589 10 0 GHAERN Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@@H](N2CCOCC2)C1)C(C)C ZINC000173909480 860444139 /nfs/dbraw/zinc/44/41/39/860444139.db2.gz AJCBCTAUEGEMAS-YLJYHZDGSA-N 0 0 385.508 3.554 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C)c3ccc(F)cc3Cl)C2)nn1 ZINC000332905682 860548565 /nfs/dbraw/zinc/54/85/65/860548565.db2.gz VZKDSEWOTAUZDE-UKRRQHHQSA-N 0 0 391.878 3.607 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NCC(=O)Nc2ccccc2Br)c1 ZINC000102695711 860819709 /nfs/dbraw/zinc/81/97/09/860819709.db2.gz RBGSGKCHMLPPFM-GFCCVEGCSA-N 0 0 393.281 3.756 10 0 GHAERN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N(C)C[C@@H]1CCCO1 ZINC000102770750 860853524 /nfs/dbraw/zinc/85/35/24/860853524.db2.gz AOVGMONBEHBOQF-AAEUAGOBSA-N 0 0 381.448 3.526 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3cn(-c4ccccc4)nc3C)n2)c1 ZINC000102910821 860898990 /nfs/dbraw/zinc/89/89/90/860898990.db2.gz NUSRFNSWDVZBSZ-UHFFFAOYSA-N 0 0 391.456 3.960 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000102990040 860933651 /nfs/dbraw/zinc/93/36/51/860933651.db2.gz DWBWZSWAHUKRFY-KZNAEPCWSA-N 0 0 397.519 3.514 10 0 GHAERN O=C(Nc1ccnn1C[C@@H]1CCOC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000159336437 860962079 /nfs/dbraw/zinc/96/20/79/860962079.db2.gz BYDGAJKDVHRNGK-FUHWJXTLSA-N 0 0 396.491 3.878 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ccnc3c(Cl)cccc23)CC(=O)N1C ZINC000329221420 861163310 /nfs/dbraw/zinc/16/33/10/861163310.db2.gz UTVXOYURYVAWPX-OXQOHEQNSA-N 0 0 383.883 3.622 10 0 GHAERN CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000103059303 863880135 /nfs/dbraw/zinc/88/01/35/863880135.db2.gz HLJNWUWCQVUPLA-CQSZACIVSA-N 0 0 391.386 3.811 10 0 GHAERN Cc1cccc(OC(F)F)c1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000103079906 863888278 /nfs/dbraw/zinc/88/82/78/863888278.db2.gz SJINCHDQJIGMPU-UHFFFAOYSA-N 0 0 389.807 3.662 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)CNC(=O)Cc3cccc4ccccc43)c21 ZINC000103204961 863909705 /nfs/dbraw/zinc/90/97/05/863909705.db2.gz RSLYHFRRQWQCJX-UHFFFAOYSA-N 0 0 399.494 3.647 10 0 GHAERN CNC(=O)c1ccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)cc1Cl ZINC000103236345 863920004 /nfs/dbraw/zinc/92/00/04/863920004.db2.gz OHNAMQSJPZGWPV-UHFFFAOYSA-N 0 0 384.867 3.854 10 0 GHAERN Cc1cc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)nc(C(C)C)n1 ZINC000103262781 863935512 /nfs/dbraw/zinc/93/55/12/863935512.db2.gz ZMPWCAQFONRYMI-UHFFFAOYSA-N 0 0 398.532 3.875 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000103858535 864059977 /nfs/dbraw/zinc/05/99/77/864059977.db2.gz PUGYGWHHJFNHBL-UHFFFAOYSA-N 0 0 396.535 3.711 10 0 GHAERN C[C@H](NC(=O)NC[C@@H](O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000103853546 864068954 /nfs/dbraw/zinc/06/89/54/864068954.db2.gz WPAZKONKQBMCGI-BBRMVZONSA-N 0 0 382.382 3.549 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000104457977 864326625 /nfs/dbraw/zinc/32/66/25/864326625.db2.gz RLRMUHFWQFYZCA-UHFFFAOYSA-N 0 0 383.879 3.908 10 0 GHAERN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@H](c5nccs5)C4)cc3c2C1 ZINC000110874542 866661356 /nfs/dbraw/zinc/66/13/56/866661356.db2.gz JUNDMHUZQCCXIR-YJYMSZOUSA-N 0 0 381.501 3.963 10 0 GHAERN CC(C)c1cc(C(=O)N2CCO[C@H](c3nccs3)C2)c2cnn(C(C)C)c2n1 ZINC000110884687 866661410 /nfs/dbraw/zinc/66/14/10/866661410.db2.gz LFRVUOJXCRCOHG-KRWDZBQOSA-N 0 0 399.520 3.806 10 0 GHAERN Cc1ccc2oc(N3CCN(C(=O)N[C@@H](C)Cc4cccs4)CC3)nc2c1 ZINC000112388471 866729995 /nfs/dbraw/zinc/72/99/95/866729995.db2.gz XWNGUAUTLQREJC-HNNXBMFYSA-N 0 0 384.505 3.661 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)c3c2CCC3)c(F)c1 ZINC000113888734 866760305 /nfs/dbraw/zinc/76/03/05/866760305.db2.gz BAXMQUAPWPCELA-GOSISDBHSA-N 0 0 393.466 3.899 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895112 866760580 /nfs/dbraw/zinc/76/05/80/866760580.db2.gz AFDGHRCJCUZCFO-IBGZPJMESA-N 0 0 378.480 3.980 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC[C@@H](c2nccs2)C1 ZINC000114741265 866769976 /nfs/dbraw/zinc/76/99/76/866769976.db2.gz MQVAEBVRJQHFSM-SNVBAGLBSA-N 0 0 394.415 3.869 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)NCC3(c4ccc(F)cc4)CCCCC3)C2)cn1 ZINC000116424039 866791351 /nfs/dbraw/zinc/79/13/51/866791351.db2.gz KUIDBJOPVUDTCD-QGZVFWFLSA-N 0 0 384.499 3.960 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180383986 867208789 /nfs/dbraw/zinc/20/87/89/867208789.db2.gz AUILEIUROVMZBK-QRWLVFNGSA-N 0 0 388.899 3.993 10 0 GHAERN Cc1sc2ncnc(SCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c2c1C ZINC000151451972 867513914 /nfs/dbraw/zinc/51/39/14/867513914.db2.gz IYGNZIHQRJPHHE-IFXJQAMLSA-N 0 0 391.562 3.554 10 0 GHAERN O=C(Nc1cccc(-c2cccs2)c1)NC1CCN(c2ncccn2)CC1 ZINC000171378255 882102506 /nfs/dbraw/zinc/10/25/06/882102506.db2.gz GELDRGCDNMMNNU-UHFFFAOYSA-N 0 0 379.489 3.996 10 0 GHAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171614887 882116813 /nfs/dbraw/zinc/11/68/13/882116813.db2.gz XNHKCEFFLBFKAD-LJQANCHMSA-N 0 0 394.515 3.852 10 0 GHAERN CSCc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171644239 882120009 /nfs/dbraw/zinc/12/00/09/882120009.db2.gz LWDRJNBGXTWGLR-CQSZACIVSA-N 0 0 386.546 3.762 10 0 GHAERN COc1ccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)c(OC)c1OC ZINC000171640986 882120245 /nfs/dbraw/zinc/12/02/45/882120245.db2.gz QXBBOGPGLHUSES-HNNXBMFYSA-N 0 0 390.505 3.508 10 0 GHAERN CC(=O)c1cccc(OCCCC(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171611194 882146039 /nfs/dbraw/zinc/14/60/39/882146039.db2.gz ALWOJHIXJKSOMT-UHFFFAOYSA-N 0 0 380.488 3.925 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171721838 882156223 /nfs/dbraw/zinc/15/62/23/882156223.db2.gz WNUFBSXGBXXZIN-PKOBYXMFSA-N 0 0 381.501 3.813 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000171779533 882159835 /nfs/dbraw/zinc/15/98/35/882159835.db2.gz KCAUYBVZGGHDOR-QFBILLFUSA-N 0 0 394.475 3.600 10 0 GHAERN CC(C)(CNC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1cccs1 ZINC000172079664 882167416 /nfs/dbraw/zinc/16/74/16/882167416.db2.gz JZXYYTFSJWYEJO-HNNXBMFYSA-N 0 0 383.521 3.658 10 0 GHAERN O=C(Nc1ccc2scnc2c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171917648 882177861 /nfs/dbraw/zinc/17/78/61/882177861.db2.gz UDBVOXNFGMJPTN-UHFFFAOYSA-N 0 0 386.502 3.738 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000172365664 882280370 /nfs/dbraw/zinc/28/03/70/882280370.db2.gz JEHIFZDDKAMNLM-GDBMZVCRSA-N 0 0 399.457 3.609 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000172638289 882281588 /nfs/dbraw/zinc/28/15/88/882281588.db2.gz JGQFPQLABSQZOV-FXAWDEMLSA-N 0 0 388.895 3.589 10 0 GHAERN CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000172690501 882285010 /nfs/dbraw/zinc/28/50/10/882285010.db2.gz PSXYHPWUWBMKJC-OAQYLSRUSA-N 0 0 379.504 3.837 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(Cc3cc(Br)cc4c3OCC4)C2)no1 ZINC000153826497 869348030 /nfs/dbraw/zinc/34/80/30/869348030.db2.gz LZIWEDYEODOILQ-ZDUSSCGKSA-N 0 0 392.297 3.530 10 0 GHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000172595507 882296456 /nfs/dbraw/zinc/29/64/56/882296456.db2.gz JVGUPYOHAZKHMJ-SFTDATJTSA-N 0 0 377.488 3.911 10 0 GHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172869342 882314914 /nfs/dbraw/zinc/31/49/14/882314914.db2.gz WSBJXXLTPCIHNO-OAQYLSRUSA-N 0 0 393.531 3.722 10 0 GHAERN CC(C)(C)CNC(=O)c1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000172898647 882321440 /nfs/dbraw/zinc/32/14/40/882321440.db2.gz MNYPQENVGHAOSV-KRWDZBQOSA-N 0 0 385.533 3.939 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2C)cc1 ZINC000172989601 882329406 /nfs/dbraw/zinc/32/94/06/882329406.db2.gz YUBWZCHLVORFLM-FQEVSTJZSA-N 0 0 379.460 3.511 10 0 GHAERN CCC[C@@H](NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000173445916 882361512 /nfs/dbraw/zinc/36/15/12/882361512.db2.gz NAPWVPSLJBCQCG-LJQANCHMSA-N 0 0 397.523 3.706 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000173489626 882365155 /nfs/dbraw/zinc/36/51/55/882365155.db2.gz YTVPDQXYYSWJGQ-CVDCTZTESA-N 0 0 394.540 3.717 10 0 GHAERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nccs2)C1 ZINC000114741733 870125282 /nfs/dbraw/zinc/12/52/82/870125282.db2.gz PLCXUBPRORVLSU-NSHDSACASA-N 0 0 376.425 3.730 10 0 GHAERN C[C@H](CNC(=O)N1CCCN(C(=O)c2cccs2)CC1)Cc1cccs1 ZINC000173647481 882387890 /nfs/dbraw/zinc/38/78/90/882387890.db2.gz OFJTVNKFDNQCJT-HNNXBMFYSA-N 0 0 391.562 3.546 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2cccn2)c1 ZINC000173704399 882395138 /nfs/dbraw/zinc/39/51/38/882395138.db2.gz FIXWEMRUJWDIRQ-WBVHZDCISA-N 0 0 381.505 3.979 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2nc(C(C)(C)C)no2)cc1 ZINC000173782879 882403170 /nfs/dbraw/zinc/40/31/70/882403170.db2.gz WLPIBKBTMIBYKW-INIZCTEOSA-N 0 0 389.521 3.973 10 0 GHAERN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000193592849 870486715 /nfs/dbraw/zinc/48/67/15/870486715.db2.gz CMALKBKCTFIWEK-IAGOWNOFSA-N 0 0 390.480 3.953 10 0 GHAERN O=C(Nc1cc(F)cc(N2CCOCC2)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000194988026 870530196 /nfs/dbraw/zinc/53/01/96/870530196.db2.gz CWFPOHYWDOGPOJ-GXTWGEPZSA-N 0 0 389.393 3.905 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000174084683 882423822 /nfs/dbraw/zinc/42/38/22/882423822.db2.gz TVFCJGNAMVIHCA-HIFRSBDPSA-N 0 0 383.192 3.507 10 0 GHAERN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114808589 870628775 /nfs/dbraw/zinc/62/87/75/870628775.db2.gz BPTBMZCRSCFWGG-MRXNPFEDSA-N 0 0 386.521 3.700 10 0 GHAERN O=C(Nc1ccc2c(c1)CCC(=O)N2)N1CCC(Nc2ccccc2F)CC1 ZINC000174820748 882477490 /nfs/dbraw/zinc/47/74/90/882477490.db2.gz JUUFHZPENTYVMH-UHFFFAOYSA-N 0 0 382.439 3.819 10 0 GHAERN Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)c3cccs3)CC1)C[C@H](C)O2 ZINC000175051751 882518570 /nfs/dbraw/zinc/51/85/70/882518570.db2.gz QUAQBHVERHHOOY-HNNXBMFYSA-N 0 0 384.501 3.723 10 0 GHAERN O=C(c1ccccn1)N1CCC(c2nc(Cc3ccccc3Cl)no2)CC1 ZINC000174829763 882529890 /nfs/dbraw/zinc/52/98/90/882529890.db2.gz OOJNKTQDXFUXPG-UHFFFAOYSA-N 0 0 382.851 3.729 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)nc1 ZINC000174853390 882532169 /nfs/dbraw/zinc/53/21/69/882532169.db2.gz SJVQJMYPNNPTOE-GOEBONIOSA-N 0 0 384.446 3.779 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C2)c1 ZINC000175401035 882552190 /nfs/dbraw/zinc/55/21/90/882552190.db2.gz XZJNNLVLGTYDQF-ZDUSSCGKSA-N 0 0 380.366 3.747 10 0 GHAERN CC(C)n1c(=S)n(CN2CCO[C@H](c3ccc(Cl)cc3)C2)nc1N(C)C ZINC000103457946 872014067 /nfs/dbraw/zinc/01/40/67/872014067.db2.gz XKZVXDIARZEVRU-INIZCTEOSA-N 0 0 395.960 3.745 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Oc3ccccc3)CC2)nc2ccccc12 ZINC000101567144 872106033 /nfs/dbraw/zinc/10/60/33/872106033.db2.gz GJTMVMHQBUFZIC-UHFFFAOYSA-N 0 0 376.460 3.645 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCSC3(CCCCC3)C2)c1 ZINC000175580699 882599067 /nfs/dbraw/zinc/59/90/67/882599067.db2.gz NSWZSNADFQGPGW-UHFFFAOYSA-N 0 0 390.553 3.741 10 0 GHAERN CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)on1 ZINC000175901627 882613532 /nfs/dbraw/zinc/61/35/32/882613532.db2.gz HOBZTEFGCOOILL-MRXNPFEDSA-N 0 0 396.495 3.710 10 0 GHAERN O=C(Nc1cccc(C(F)F)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000175908858 882613673 /nfs/dbraw/zinc/61/36/73/882613673.db2.gz SUSWANXZCQNSCF-UHFFFAOYSA-N 0 0 391.422 3.624 10 0 GHAERN CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175787822 882625810 /nfs/dbraw/zinc/62/58/10/882625810.db2.gz LXMUUTGWTKAKLO-OAQYLSRUSA-N 0 0 386.536 3.794 10 0 GHAERN CC[C@@H](NC(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1)c1nccs1 ZINC000175802425 882633101 /nfs/dbraw/zinc/63/31/01/882633101.db2.gz DVZHDRVMFHXPNS-SUMWQHHRSA-N 0 0 375.494 3.811 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000176012030 882658792 /nfs/dbraw/zinc/65/87/92/882658792.db2.gz CLMPZMNLRUWUJW-HUUCEWRRSA-N 0 0 397.454 3.527 10 0 GHAERN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)[C@H]1CCCn2ccnc21 ZINC000176325012 882679411 /nfs/dbraw/zinc/67/94/11/882679411.db2.gz DJMFFYNQXSJCFJ-PPHZAIPVSA-N 0 0 379.485 3.707 10 0 GHAERN Cc1ccc(C2(C(=O)NC3CCN(c4cccc(C)n4)CC3)CCOCC2)cc1 ZINC000116667297 873614199 /nfs/dbraw/zinc/61/41/99/873614199.db2.gz TWQNFMSGQDINKP-UHFFFAOYSA-N 0 0 393.531 3.532 10 0 GHAERN CCN(CCNC(=O)N[C@H](c1ccccc1)c1ccncc1)C(=O)OC(C)(C)C ZINC000103881732 873966250 /nfs/dbraw/zinc/96/62/50/873966250.db2.gz KVUQIJQLILQQQZ-LJQANCHMSA-N 0 0 398.507 3.727 10 0 GHAERN C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000117611441 874075497 /nfs/dbraw/zinc/07/54/97/874075497.db2.gz VPJQQMAJMJTWMW-LAPQFRIASA-N 0 0 379.460 3.712 10 0 GHAERN CC(C)c1ccc(NC(=O)CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 ZINC000004288762 874192395 /nfs/dbraw/zinc/19/23/95/874192395.db2.gz XHKPZEWCLKOCGQ-HSZRJFAPSA-N 0 0 393.487 3.692 10 0 GHAERN COc1ccccc1[C@@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccccc1 ZINC000177505905 882808521 /nfs/dbraw/zinc/80/85/21/882808521.db2.gz BSJWVFYQOBQBEY-UGKGYDQZSA-N 0 0 390.487 3.855 10 0 GHAERN O=C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177508784 882809302 /nfs/dbraw/zinc/80/93/02/882809302.db2.gz QZNWINOCQDEINE-CQSZACIVSA-N 0 0 398.513 3.611 10 0 GHAERN O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071011 882862584 /nfs/dbraw/zinc/86/25/84/882862584.db2.gz QADGXVRBPXFQPH-BXUZGUMPSA-N 0 0 376.806 3.798 10 0 GHAERN CCc1nc2c(s1)[C@@H](N(C)C(=O)NCC[C@H]1c3ccccc3NC1=O)CCC2 ZINC000177834533 882867438 /nfs/dbraw/zinc/86/74/38/882867438.db2.gz NFZQDFZXODZGSY-YOEHRIQHSA-N 0 0 398.532 3.850 10 0 GHAERN CC1(C)C[C@@H](NC(=O)NCc2ccccc2N2CCOCC2)c2ccccc2O1 ZINC000178128453 882888762 /nfs/dbraw/zinc/88/87/62/882888762.db2.gz KAKLTJNUMLQDLN-LJQANCHMSA-N 0 0 395.503 3.625 10 0 GHAERN O=C(NC1CCC2(CC1)OCCO2)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000105369208 875277535 /nfs/dbraw/zinc/27/75/35/875277535.db2.gz KTKRUDJXKMKFMX-QFIPXVFZSA-N 0 0 392.499 3.592 10 0 GHAERN CC(C)(C)c1ccc(-c2nnc(SCc3nc(-c4ccoc4)no3)n2N)cc1 ZINC000105571113 875339130 /nfs/dbraw/zinc/33/91/30/875339130.db2.gz VWOHODQILZAZLW-UHFFFAOYSA-N 0 0 396.476 3.892 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000120009830 875391728 /nfs/dbraw/zinc/39/17/28/875391728.db2.gz SBZWEVFGLYUOLD-DHZHZOJOSA-N 0 0 385.467 3.857 10 0 GHAERN Cc1nc2cc(NC(=O)N3CCC[C@H](c4nnc5ccccn54)C3)ccc2o1 ZINC000178639400 882928262 /nfs/dbraw/zinc/92/82/62/882928262.db2.gz QJUUOULQKPHACK-AWEZNQCLSA-N 0 0 376.420 3.590 10 0 GHAERN Cc1ccc(C(=O)N2CCC[C@@H](COC(=O)c3sccc3OC(F)F)C2)o1 ZINC000105767746 875454261 /nfs/dbraw/zinc/45/42/61/875454261.db2.gz BBVISKIRMPPACG-GFCCVEGCSA-N 0 0 399.415 3.960 10 0 GHAERN C/C(=C\c1cccc(Cl)c1)C(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179393479 882967004 /nfs/dbraw/zinc/96/70/04/882967004.db2.gz NKJYRCBVKWBECV-JLHYYAGUSA-N 0 0 387.867 3.917 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CCC(n2cncn2)CC1 ZINC000120395327 875970441 /nfs/dbraw/zinc/97/04/41/875970441.db2.gz BUGRZPBQPAQHFE-UHFFFAOYSA-N 0 0 395.410 3.692 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000120407043 876021855 /nfs/dbraw/zinc/02/18/55/876021855.db2.gz WCALFZJQIJUCQS-FDDCHVKYSA-N 0 0 396.450 3.895 10 0 GHAERN CCOCCC1(CNC(=O)C[C@@H]2Sc3ccccc3NC2=O)CCCC1 ZINC000121137959 876563848 /nfs/dbraw/zinc/56/38/48/876563848.db2.gz ZZSAJKWNGDLXDS-KRWDZBQOSA-N 0 0 376.522 3.593 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1noc(-c2ccccc2)n1 ZINC000121231279 876668608 /nfs/dbraw/zinc/66/86/08/876668608.db2.gz KVBROLQLRQXGED-ZFWWWQNUSA-N 0 0 383.477 3.843 10 0 GHAERN COc1ccc(-n2nc(C(=O)N3CCC(Cc4ccccn4)CC3)cc2C)cc1 ZINC000180183628 883064949 /nfs/dbraw/zinc/06/49/49/883064949.db2.gz VDGQVINEKHYZNZ-UHFFFAOYSA-N 0 0 390.487 3.679 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)Cc1ccc(Cl)cc1 ZINC000180201522 883066248 /nfs/dbraw/zinc/06/62/48/883066248.db2.gz JTVBJDSTOIJWLF-VPWXQRGCSA-N 0 0 389.927 3.614 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000180857502 883103531 /nfs/dbraw/zinc/10/35/31/883103531.db2.gz HBBYOAHPQOPPGH-UHFFFAOYSA-N 0 0 378.819 3.704 10 0 GHAERN COc1ccc(-n2ccc(CN[C@@H](C)c3cnn(-c4ccccn4)c3C)n2)cc1 ZINC000121703208 877667834 /nfs/dbraw/zinc/66/78/34/877667834.db2.gz QNYYTKRCBYSHEO-INIZCTEOSA-N 0 0 388.475 3.621 10 0 GHAERN COc1ccc([C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)c2nccn2C)cc1 ZINC000024026298 878059040 /nfs/dbraw/zinc/05/90/40/878059040.db2.gz VGDRTPUTAOTBAK-CQSZACIVSA-N 0 0 379.247 3.583 10 0 GHAERN C[C@@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Cl)s1 ZINC000130355556 878306358 /nfs/dbraw/zinc/30/63/58/878306358.db2.gz OJIDHYCTBKZEDB-OCCSQVGLSA-N 0 0 383.945 3.943 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000122642789 879235821 /nfs/dbraw/zinc/23/58/21/879235821.db2.gz HMZOKNZQXUVNFQ-UHFFFAOYSA-N 0 0 380.414 3.603 10 0 GHAERN C[C@@H]1C[C@@H](CC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)CC(C)(C)C1 ZINC000135506064 879294386 /nfs/dbraw/zinc/29/43/86/879294386.db2.gz YWSCXVUQHRWPTN-SJORKVTESA-N 0 0 388.556 3.834 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)c3ccco3)c2)cs1 ZINC000025514384 879844863 /nfs/dbraw/zinc/84/48/63/879844863.db2.gz WAPVSXYVMPRKFF-QGZVFWFLSA-N 0 0 381.457 3.955 10 0 GHAERN COc1ccc(Br)cc1/C=C/C(=O)N1CCCC[C@@H]1c1ncon1 ZINC000123273784 880175547 /nfs/dbraw/zinc/17/55/47/880175547.db2.gz YBKRBTHGQOVENL-LHRNQBEKSA-N 0 0 392.253 3.608 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000181047885 883118753 /nfs/dbraw/zinc/11/87/53/883118753.db2.gz FGMFFVVFHDZODL-UHFFFAOYSA-N 0 0 390.877 3.827 10 0 GHAERN COCCn1ccc2ccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)cc21 ZINC000181358704 883145396 /nfs/dbraw/zinc/14/53/96/883145396.db2.gz DAKJWTNSNRJJQF-LJQANCHMSA-N 0 0 395.484 3.729 10 0 GHAERN O=C(NCc1ccc(N2CCOC2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000181915575 883192221 /nfs/dbraw/zinc/19/22/21/883192221.db2.gz CVSYFJYCZDFSCV-UHFFFAOYSA-N 0 0 377.444 3.642 10 0 GHAERN CCn1c2ccc(C)cc2nc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000182506571 883224042 /nfs/dbraw/zinc/22/40/42/883224042.db2.gz CXZSWNIZAXTVMN-UHFFFAOYSA-N 0 0 396.516 3.917 10 0 GHAERN CN(C(=O)CCc1nnc(-c2ccsc2)o1)c1ncccc1Br ZINC000183404465 883264414 /nfs/dbraw/zinc/26/44/14/883264414.db2.gz ZBESPWYVNQBAIW-UHFFFAOYSA-N 0 0 393.266 3.551 10 0 GHAERN O=C(NC1(Cc2ccccc2)CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000183771411 883285472 /nfs/dbraw/zinc/28/54/72/883285472.db2.gz NHDHYPGXQMYEBO-UHFFFAOYSA-N 0 0 391.515 3.606 10 0 GHAERN COc1ccc(/C=C(\C)C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1F ZINC000183983941 883295594 /nfs/dbraw/zinc/29/55/94/883295594.db2.gz NTACJIYFZRIFOE-RDELFYGPSA-N 0 0 399.397 3.974 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C2CCCC2)c2ccc(F)cc2C1 ZINC000184011145 883298338 /nfs/dbraw/zinc/29/83/38/883298338.db2.gz GPNQFPRVLOWGMJ-SFTDATJTSA-N 0 0 387.499 3.983 10 0 GHAERN CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184031140 883301086 /nfs/dbraw/zinc/30/10/86/883301086.db2.gz NMKXOYAUSBCHJA-OAQYLSRUSA-N 0 0 383.467 3.851 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(C)s2)c2ccc(F)cc2C1 ZINC000184029928 883301292 /nfs/dbraw/zinc/30/12/92/883301292.db2.gz WGTJSCUHJGDCCN-IBGZPJMESA-N 0 0 389.496 3.831 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@H](C)c3nc(C)cs3)C2)c1 ZINC000183918428 883310945 /nfs/dbraw/zinc/31/09/45/883310945.db2.gz RVMVHIUXAJZEGJ-ZFWWWQNUSA-N 0 0 389.521 3.771 10 0 GHAERN CCc1noc(C2CCC(Nc3cc(-c4ccoc4C)nn3CCO)CC2)n1 ZINC000183942417 883311486 /nfs/dbraw/zinc/31/14/86/883311486.db2.gz IHIDWLRSKJNHSV-UHFFFAOYSA-N 0 0 385.468 3.528 10 0 GHAERN COc1cc(CNc2cccc3c2OCC[C@H]3O)c(Br)cc1O ZINC000184066368 883313679 /nfs/dbraw/zinc/31/36/79/883313679.db2.gz JERNZRKOBJFYGU-CQSZACIVSA-N 0 0 380.238 3.591 10 0 GHAERN O=C(Nc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1)c1ccccc1 ZINC000184077363 883314927 /nfs/dbraw/zinc/31/49/27/883314927.db2.gz NSNJRZJIFQPMSV-GOSISDBHSA-N 0 0 390.447 3.816 10 0 GHAERN O=C(Nc1cc(F)ccc1Br)N1CCCN(c2ccccn2)CC1 ZINC000184123605 883321616 /nfs/dbraw/zinc/32/16/16/883321616.db2.gz WOTIRUFQYFHUIS-UHFFFAOYSA-N 0 0 393.260 3.727 10 0 GHAERN O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCCN(c2ccccn2)CC1 ZINC000184117466 883322036 /nfs/dbraw/zinc/32/20/36/883322036.db2.gz POWRYZMOCGZLBR-UHFFFAOYSA-N 0 0 378.398 3.931 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cccc(Br)c2Cl)CC1 ZINC000184242557 883339092 /nfs/dbraw/zinc/33/90/92/883339092.db2.gz WLBHVFRQLXNRGK-UHFFFAOYSA-N 0 0 396.716 3.931 10 0 GHAERN C[S@](=O)Cc1ccccc1NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000184316301 883343431 /nfs/dbraw/zinc/34/34/31/883343431.db2.gz GSZAMOBPLQVSRC-MHZLTWQESA-N 0 0 389.496 3.813 10 0 GHAERN O=C(NCc1ncc(-c2ccccc2)cn1)N1CCC(Oc2ccccc2)CC1 ZINC000184689887 883374477 /nfs/dbraw/zinc/37/44/77/883374477.db2.gz DMHXINPRVXKHSU-UHFFFAOYSA-N 0 0 388.471 3.897 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccncc1 ZINC000184710373 883379821 /nfs/dbraw/zinc/37/98/21/883379821.db2.gz RFUYWULOJIRDFU-MAUKXSAKSA-N 0 0 376.464 3.517 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(CCC(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185242025 883429763 /nfs/dbraw/zinc/42/97/63/883429763.db2.gz DHJICUZYEURMFX-FQEVSTJZSA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2ccc(F)cc2C1 ZINC000185396518 883447665 /nfs/dbraw/zinc/44/76/65/883447665.db2.gz LWZCZRGRBSYLRK-KRWDZBQOSA-N 0 0 390.846 3.798 10 0 GHAERN O=C(c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O)N1CCCC2(CC2)C1 ZINC000185318068 883453481 /nfs/dbraw/zinc/45/34/81/883453481.db2.gz DXLDREMEUBSPBY-UHFFFAOYSA-N 0 0 391.496 3.691 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3oc(C)nc3c2)c2ccc(F)cc2C1 ZINC000185448395 883457923 /nfs/dbraw/zinc/45/79/23/883457923.db2.gz VKIWOJPPDSCLAR-SFHVURJKSA-N 0 0 396.422 3.890 10 0 GHAERN Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC000102470873 883490426 /nfs/dbraw/zinc/49/04/26/883490426.db2.gz FOIRNOAEBUJLRS-UHFFFAOYSA-N 0 0 378.444 3.780 10 0 GHAERN O=S(=O)(Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ncccc1Cl ZINC000102513586 883509091 /nfs/dbraw/zinc/50/90/91/883509091.db2.gz WEGMEMZCXJHJEH-UHFFFAOYSA-N 0 0 394.861 3.561 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)c2ccc(F)cc2C1 ZINC000185502873 883546279 /nfs/dbraw/zinc/54/62/79/883546279.db2.gz XLOIDZNIRRORFA-LJQANCHMSA-N 0 0 379.435 3.839 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)COc2c(C)cc(C)cc2C)c2ccc(F)cc2C1 ZINC000185516642 883548864 /nfs/dbraw/zinc/54/88/64/883548864.db2.gz VVXSKQJEZHRQMX-NRFANRHFSA-N 0 0 398.478 3.739 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)c2ccc(F)cc2C1 ZINC000185532862 883551647 /nfs/dbraw/zinc/55/16/47/883551647.db2.gz ABMHDGLSBRAMNM-QFIPXVFZSA-N 0 0 382.479 3.903 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)c2ccc(F)cc2C1 ZINC000185535285 883551666 /nfs/dbraw/zinc/55/16/66/883551666.db2.gz LJYVZGZAAWTQPI-FQEVSTJZSA-N 0 0 379.435 3.839 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CSc3ccccc32)c2ccc(F)cc2C1 ZINC000185558145 883556390 /nfs/dbraw/zinc/55/63/90/883556390.db2.gz UOSNONUJXLSLTL-RTBURBONSA-N 0 0 384.476 3.625 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3cccs3)n[nH]2)c2ccc(F)cc2C1 ZINC000185564085 883556986 /nfs/dbraw/zinc/55/69/86/883556986.db2.gz SBPNNIYTOORJLS-MRXNPFEDSA-N 0 0 398.463 3.501 10 0 GHAERN O=C(c1ncncc1Cl)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000185630407 883568562 /nfs/dbraw/zinc/56/85/62/883568562.db2.gz SSGZIUMYQZOQBF-UHFFFAOYSA-N 0 0 396.672 3.576 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(N(C)C)c2C)c2ccc(F)cc2C1 ZINC000185633813 883569122 /nfs/dbraw/zinc/56/91/22/883569122.db2.gz FKFLIKKYHYZYPT-HXUWFJFHSA-N 0 0 398.482 3.815 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000185812899 883576355 /nfs/dbraw/zinc/57/63/55/883576355.db2.gz LSIALNNJUOTBLE-CVEARBPZSA-N 0 0 389.421 3.696 10 0 GHAERN COc1ccc2c(c1)CN(C(=O)NCCc1coc(-c3ccc(F)cc3)n1)CC2 ZINC000102567129 883578050 /nfs/dbraw/zinc/57/80/50/883578050.db2.gz YIXXBNXPQFHBIR-UHFFFAOYSA-N 0 0 395.434 3.800 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1C ZINC000185705849 883579406 /nfs/dbraw/zinc/57/94/06/883579406.db2.gz ZOXCNHKJDFGHSP-OAHLLOKOSA-N 0 0 392.839 3.942 10 0 GHAERN Fc1ccc(-n2cc(CNCc3ncc(-c4ccccc4)cn3)nn2)cc1Cl ZINC000185875370 883597189 /nfs/dbraw/zinc/59/71/89/883597189.db2.gz YIPFIJBHYVNFKG-UHFFFAOYSA-N 0 0 394.841 3.807 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000186190573 883618523 /nfs/dbraw/zinc/61/85/23/883618523.db2.gz IAQCJOSDWYTDBE-YLJYHZDGSA-N 0 0 399.560 3.655 10 0 GHAERN Cc1cccc([C@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)c2ccccn2)c1 ZINC000186305781 883630774 /nfs/dbraw/zinc/63/07/74/883630774.db2.gz ABMVYXKYIOXVLG-KNQAVFIVSA-N 0 0 378.497 3.988 10 0 GHAERN Cc1ccc(Cc2nc(C(=O)N3CCCN(c4ccccn4)CC3)cs2)cc1 ZINC000186421766 883644469 /nfs/dbraw/zinc/64/44/69/883644469.db2.gz DVDFSCBTYRIKTC-UHFFFAOYSA-N 0 0 392.528 3.790 10 0 GHAERN CCc1noc(-c2ccc(C)c(N[C@@H]3CCS(=O)(=O)c4ccccc43)c2)n1 ZINC000186380442 883652607 /nfs/dbraw/zinc/65/26/07/883652607.db2.gz GXXVXEPVWNVBCP-MRXNPFEDSA-N 0 0 383.473 3.938 10 0 GHAERN Cc1nc([C@H](NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c2ccccc2F)no1 ZINC000186566434 883664563 /nfs/dbraw/zinc/66/45/63/883664563.db2.gz UYHKDGCVOIOJDD-UPRAQXHNSA-N 0 0 395.438 3.794 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CN(C)C(=O)N4)C2)n1 ZINC000186618922 883674771 /nfs/dbraw/zinc/67/47/71/883674771.db2.gz LCWAAKZGYIWZHM-CYBMUJFWSA-N 0 0 385.493 3.840 10 0 GHAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186627756 883677616 /nfs/dbraw/zinc/67/76/16/883677616.db2.gz BVTQPSXIYIMYJU-UHFFFAOYSA-N 0 0 390.390 3.929 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NCCC[C@H]3CCCCO3)C2)c1 ZINC000186630115 883677653 /nfs/dbraw/zinc/67/76/53/883677653.db2.gz DJARNKOJKNCJKQ-FUHWJXTLSA-N 0 0 376.497 3.552 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3ccc(CCC(F)(F)F)cc3)CC2)n1 ZINC000186780976 883702299 /nfs/dbraw/zinc/70/22/99/883702299.db2.gz LRFYBEUDSHPDMH-UHFFFAOYSA-N 0 0 396.413 3.650 10 0 GHAERN Cc1cccc(-c2cncc(C(=O)N3CCC(c4nc(N(C)C)no4)CC3)c2)c1 ZINC000186768548 883711147 /nfs/dbraw/zinc/71/11/47/883711147.db2.gz VMZZCBZRRXSCIS-UHFFFAOYSA-N 0 0 391.475 3.526 10 0 GHAERN O=C(/C=C/c1c(Cl)nc2sccn12)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186942102 883718957 /nfs/dbraw/zinc/71/89/57/883718957.db2.gz VTWLQZVIEQYVGD-UEKDZROGSA-N 0 0 385.876 3.720 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000186851678 883723415 /nfs/dbraw/zinc/72/34/15/883723415.db2.gz SGAOYVRAZSVUTF-FQEVSTJZSA-N 0 0 386.473 3.549 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000186850993 883723444 /nfs/dbraw/zinc/72/34/44/883723444.db2.gz VOYNQATWMDPWHX-WCQYABFASA-N 0 0 380.491 3.899 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(CCC(=O)c3ccc(F)cc3F)CC2)s1 ZINC000187221447 883756794 /nfs/dbraw/zinc/75/67/94/883756794.db2.gz LZRLPFITEXHYKD-UHFFFAOYSA-N 0 0 392.471 3.802 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000187201743 883766421 /nfs/dbraw/zinc/76/64/21/883766421.db2.gz URKQLKOBZOYFKI-QGZVFWFLSA-N 0 0 394.441 3.730 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187306515 883768927 /nfs/dbraw/zinc/76/89/27/883768927.db2.gz IXRZQMDMOJXTRW-GFCCVEGCSA-N 0 0 378.473 3.638 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000187652732 883806196 /nfs/dbraw/zinc/80/61/96/883806196.db2.gz ZAZMGGZLHDRXCG-UHFFFAOYSA-N 0 0 386.377 3.634 10 0 GHAERN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)N2CCC(Oc3ccc(C)cn3)CC2)c1 ZINC000187850811 883809752 /nfs/dbraw/zinc/80/97/52/883809752.db2.gz PNKILWPDNBNHMO-UYAOXDASSA-N 0 0 396.487 3.581 10 0 GHAERN O=C(Nc1cccc(Br)n1)NC1CCN(c2cccs2)CC1 ZINC000188469673 883851941 /nfs/dbraw/zinc/85/19/41/883851941.db2.gz HPXNBKNGEZPUBO-UHFFFAOYSA-N 0 0 381.299 3.696 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000188609185 883866910 /nfs/dbraw/zinc/86/69/10/883866910.db2.gz WLRADCXOQLNKEK-INIZCTEOSA-N 0 0 376.460 3.843 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1OC(C)C ZINC000188796827 883873422 /nfs/dbraw/zinc/87/34/22/883873422.db2.gz YTIKNSMCJYHJHB-DZZUKKPASA-N 0 0 398.507 3.814 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000189011614 883897908 /nfs/dbraw/zinc/89/79/08/883897908.db2.gz ZCAMLZUUVDYQTN-AWEZNQCLSA-N 0 0 384.863 3.766 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC(Nc2nccs2)CC1 ZINC000189285898 883927902 /nfs/dbraw/zinc/92/79/02/883927902.db2.gz ASKZHNDOOMVJMD-HNNXBMFYSA-N 0 0 398.454 3.903 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000189348218 883939075 /nfs/dbraw/zinc/93/90/75/883939075.db2.gz ZFNVYFRSADWTDH-UHFFFAOYSA-N 0 0 392.833 3.787 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000189666308 883983367 /nfs/dbraw/zinc/98/33/67/883983367.db2.gz UFDVGDQKTPHJCR-OAHLLOKOSA-N 0 0 396.278 3.670 10 0 GHAERN O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189793112 883994787 /nfs/dbraw/zinc/99/47/87/883994787.db2.gz JGLWCWMRDQMVDN-UHFFFAOYSA-N 0 0 391.496 3.870 10 0 GHAERN CC(=O)N(CCC(=O)N1CC2(CCOCC2)c2ccccc21)Cc1ccccc1 ZINC000189796998 883996801 /nfs/dbraw/zinc/99/68/01/883996801.db2.gz BZTGTFIIXXZNPG-UHFFFAOYSA-N 0 0 392.499 3.520 10 0 GHAERN O=C([C@H]1CCCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21)N1CCCC1 ZINC000189838702 884016205 /nfs/dbraw/zinc/01/62/05/884016205.db2.gz UHOFYATYTPLOIF-OALUTQOASA-N 0 0 396.531 3.510 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C)n(C3CCCCC3)c2C)C1 ZINC000190036384 884044806 /nfs/dbraw/zinc/04/48/06/884044806.db2.gz MMQBHCOKYANEDQ-HKUYNNGSSA-N 0 0 386.496 3.904 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000190124680 884048135 /nfs/dbraw/zinc/04/81/35/884048135.db2.gz TYJLDSVGMMZKLT-LIRRHRJNSA-N 0 0 379.460 3.764 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152835 884049120 /nfs/dbraw/zinc/04/91/20/884049120.db2.gz CCRLKUGASUYYCJ-RXVVDRJESA-N 0 0 389.459 3.679 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190396406 884058159 /nfs/dbraw/zinc/05/81/59/884058159.db2.gz IAMOEDHVTMIUIN-UHFFFAOYSA-N 0 0 395.532 3.591 10 0 GHAERN CC1CCC(N2C[C@@H](c3nc([C@H]4CCO[C@@H]4C(C)(C)C)no3)CC2=O)CC1 ZINC000190390889 884074892 /nfs/dbraw/zinc/07/48/92/884074892.db2.gz ZFVXJZRSPSLZMO-IIOONMEZSA-N 0 0 375.513 3.883 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCCNC(=O)c2ccc(F)cc2F)n1 ZINC000190387039 884075483 /nfs/dbraw/zinc/07/54/83/884075483.db2.gz FATITDPXCQYQKD-YOEHRIQHSA-N 0 0 393.434 3.629 10 0 GHAERN COc1ccc(-c2noc(CCC(=O)N[C@H]3CCOc4c(C)cccc43)n2)cc1 ZINC000190658224 884105319 /nfs/dbraw/zinc/10/53/19/884105319.db2.gz LMSIBEMPCOCHQH-SFHVURJKSA-N 0 0 393.443 3.626 10 0 GHAERN Cc1csc(C(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)c1Br ZINC000190919987 884131974 /nfs/dbraw/zinc/13/19/74/884131974.db2.gz GTCPAHUOHIOYSM-CYBMUJFWSA-N 0 0 391.294 3.765 10 0 GHAERN Cc1ccc(CNC(=O)c2c(C)cc(C)nc2Cl)c(-n2cc(Cl)cn2)n1 ZINC000191715048 884207293 /nfs/dbraw/zinc/20/72/93/884207293.db2.gz WHHUUANQAHELSP-UHFFFAOYSA-N 0 0 390.274 3.824 10 0 GHAERN O=c1[nH]c(CN2CC3(CCOCC3)c3ccccc32)nc2ccc(Cl)cc12 ZINC000192288192 884248990 /nfs/dbraw/zinc/24/89/90/884248990.db2.gz ZEZRIIJIWFMPMT-UHFFFAOYSA-N 0 0 381.863 3.645 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000192952725 884315767 /nfs/dbraw/zinc/31/57/67/884315767.db2.gz KNARWEUQMZNRBA-IAGOWNOFSA-N 0 0 386.377 3.706 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)n1 ZINC000102841793 884508281 /nfs/dbraw/zinc/50/82/81/884508281.db2.gz VFDSOONOPKUVBP-UHFFFAOYSA-N 0 0 397.500 3.745 10 0 GHAERN Cc1ccc(I)c(C(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000103017101 884688772 /nfs/dbraw/zinc/68/87/72/884688772.db2.gz CGZYEWRLBJLKKU-UHFFFAOYSA-N 0 0 379.201 3.519 10 0 GHAERN CNC(=O)[C@H]1CCCN1C(=O)c1cccc(CSc2ccc(C)cc2C)c1 ZINC000104356952 885391653 /nfs/dbraw/zinc/39/16/53/885391653.db2.gz UUHKWBTVZKGMOB-LJQANCHMSA-N 0 0 382.529 3.946 10 0 GHAERN Cc1cc(-c2cc(C(=O)N3CCN(C4CC4)CC3)c3c(C)noc3n2)c(C)s1 ZINC000104333672 885401725 /nfs/dbraw/zinc/40/17/25/885401725.db2.gz DCSLLKYKBLNCAN-UHFFFAOYSA-N 0 0 396.516 3.797 10 0 GHAERN Cc1occc1C(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)c(F)c2)CC1 ZINC000104392923 885409552 /nfs/dbraw/zinc/40/95/52/885409552.db2.gz FAVJBEJIUBBEIK-UHFFFAOYSA-N 0 0 395.434 3.552 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)n1 ZINC000102646354 885973354 /nfs/dbraw/zinc/97/33/54/885973354.db2.gz BGZRZGJWEGSFJF-UHFFFAOYSA-N 0 0 395.532 3.939 10 0 GHAERN C[C@@H](NC(=O)N1CCC(c2nnc3ccccn32)CC1)C(C)(C)c1ccccc1 ZINC000102808286 885977229 /nfs/dbraw/zinc/97/72/29/885977229.db2.gz DOXYPSICHICDJJ-QGZVFWFLSA-N 0 0 391.519 3.985 10 0 GHAERN O=C(c1cc(Br)cnc1Cl)N1CC[C@H](Nc2ccccc2)C1 ZINC000102899603 885979157 /nfs/dbraw/zinc/97/91/57/885979157.db2.gz UOSOZSNSMQSBPW-ZDUSSCGKSA-N 0 0 380.673 3.824 10 0 GHAERN C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000105841097 886020518 /nfs/dbraw/zinc/02/05/18/886020518.db2.gz AUPWJMGYFHODSH-CQSZACIVSA-N 0 0 384.867 3.556 10 0 GHAERN Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(Cc3nccn3C)CC2)c(Cl)c1 ZINC000106164378 886027559 /nfs/dbraw/zinc/02/75/59/886027559.db2.gz REDWIIOPCXXXRJ-INIZCTEOSA-N 0 0 388.943 3.972 10 0 GHAERN O=C(/C=C/c1ccc2ccccc2n1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307214 886258354 /nfs/dbraw/zinc/25/83/54/886258354.db2.gz FLFRLLXBBSQLHH-ZHACJKMWSA-N 0 0 391.496 3.684 10 0 GHAERN O=C(Nc1cc2c(cc1Cl)OCO2)C1CCN(C(=O)c2cccs2)CC1 ZINC000032496541 886322423 /nfs/dbraw/zinc/32/24/23/886322423.db2.gz JSSIKIAKLRILCG-UHFFFAOYSA-N 0 0 392.864 3.621 10 0 GHAERN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3Oc4ccccc4[C@H]3C)n2)o1 ZINC000117585148 886387449 /nfs/dbraw/zinc/38/74/49/886387449.db2.gz HHSGOFRJDJYCHQ-ADLMAVQZSA-N 0 0 397.456 3.542 10 0 GHAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117721736 886392994 /nfs/dbraw/zinc/39/29/94/886392994.db2.gz KEGOPLXPCVOOJL-UHFFFAOYSA-N 0 0 379.478 3.610 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC[C@H]1c1cccc(C)n1 ZINC000119038035 886422239 /nfs/dbraw/zinc/42/22/39/886422239.db2.gz HQGMXLUKCWPDAB-ZGKFYVQTSA-N 0 0 382.460 3.793 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)NC[C@@H]2CCCn3cc(C)nc32)c(OC)c1 ZINC000332687104 886540285 /nfs/dbraw/zinc/54/02/85/886540285.db2.gz OIUQGDNXAJNWIP-QFBILLFUSA-N 0 0 398.507 3.633 10 0 GHAERN O=C(N[C@H]1CCC(=O)N[C@H]1C1CC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000332808074 886548848 /nfs/dbraw/zinc/54/88/48/886548848.db2.gz RYSVKYYZDPFPHA-RPWFAHAXSA-N 0 0 395.528 3.520 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C)nn2-c2ccccn2)C12CCCC2 ZINC000172689389 886686929 /nfs/dbraw/zinc/68/69/29/886686929.db2.gz KFWMEJGJLURNRN-DLBZAZTESA-N 0 0 383.496 3.777 10 0 GHAERN COc1cccc(-c2noc([C@H](C)N[C@@H](C)c3nc(-c4cccnc4)no3)n2)c1 ZINC000124340904 886733364 /nfs/dbraw/zinc/73/33/64/886733364.db2.gz FGMYZMRWDODVPJ-STQMWFEESA-N 0 0 392.419 3.602 10 0 GHAERN Cc1nc([C@H](NC(=O)NC(C)(C)c2cccc(F)c2)c2ccccc2F)no1 ZINC000124650631 886778093 /nfs/dbraw/zinc/77/80/93/886778093.db2.gz WVRKXZOWIKEMSQ-QGZVFWFLSA-N 0 0 386.402 3.980 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1 ZINC000124712889 886787753 /nfs/dbraw/zinc/78/77/53/886787753.db2.gz ILGNLIAMRCKOFC-UHFFFAOYSA-N 0 0 395.532 3.708 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3cccc(OC(F)(F)F)c3)CC2)nc1 ZINC000125149340 886832210 /nfs/dbraw/zinc/83/22/10/886832210.db2.gz HSMQLGNAQIWQIO-UHFFFAOYSA-N 0 0 393.409 3.616 10 0 GHAERN COc1ccc(OC)c(CCC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000125501363 886873672 /nfs/dbraw/zinc/87/36/72/886873672.db2.gz BUFZQHCZUNZEEG-OAHLLOKOSA-N 0 0 395.459 3.606 10 0 GHAERN CCc1noc(CC)c1CNC(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000125647212 886889608 /nfs/dbraw/zinc/88/96/08/886889608.db2.gz ISRITKYVUIAHLG-CQSZACIVSA-N 0 0 387.480 3.516 10 0 GHAERN Cn1c(=O)c2sccc2nc1SCc1noc(-c2ccccc2Cl)n1 ZINC000044125321 886932368 /nfs/dbraw/zinc/93/23/68/886932368.db2.gz AGKYMVXSNSXGHF-UHFFFAOYSA-N 0 0 390.877 3.991 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)C3(c4ccccc4Cl)CCOCC3)CCO2)o1 ZINC000127289883 887046381 /nfs/dbraw/zinc/04/63/81/887046381.db2.gz AFHSEVJYNKWCSB-LJQANCHMSA-N 0 0 389.879 3.890 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN[C@@H]3CCCC[C@@H]3n3cccn3)s2)cc1 ZINC000128031636 887137524 /nfs/dbraw/zinc/13/75/24/887137524.db2.gz TYZDGJGWZSWCSX-SJORKVTESA-N 0 0 396.520 3.569 10 0 GHAERN CCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 ZINC000046252419 887167361 /nfs/dbraw/zinc/16/73/61/887167361.db2.gz BRNGKMLKKQGXKO-UHFFFAOYSA-N 0 0 381.407 3.802 10 0 GHAERN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000046335250 887181328 /nfs/dbraw/zinc/18/13/28/887181328.db2.gz ULPRWAJSLOEQDC-YOEHRIQHSA-N 0 0 388.899 3.789 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000128676995 887210885 /nfs/dbraw/zinc/21/08/85/887210885.db2.gz SNQKERZEAQZOKV-BSDIHXDHSA-N 0 0 382.435 3.706 10 0 GHAERN COc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)c2ccccc2F)CC1 ZINC000046755692 887226016 /nfs/dbraw/zinc/22/60/16/887226016.db2.gz FWAFJPGWBFCSIS-UHFFFAOYSA-N 0 0 390.842 3.522 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(CN2CCCC2=O)cc1 ZINC000105004073 887237120 /nfs/dbraw/zinc/23/71/20/887237120.db2.gz ZIRQUMFNUDQRFY-UHFFFAOYSA-N 0 0 381.476 3.524 10 0 GHAERN CSc1nc(C2CC2)nc(C)c1C(=O)NC1CCN(c2cccs2)CC1 ZINC000129341656 887286052 /nfs/dbraw/zinc/28/60/52/887286052.db2.gz YGVRHQLPZUQZMW-UHFFFAOYSA-N 0 0 388.562 3.845 10 0 GHAERN O=C(C1CCC(F)(F)CC1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000130229200 887405563 /nfs/dbraw/zinc/40/55/63/887405563.db2.gz XCIPECUATQESJV-UHFFFAOYSA-N 0 0 386.446 3.618 10 0 GHAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000132035666 887601266 /nfs/dbraw/zinc/60/12/66/887601266.db2.gz FTRJRWGHDFXJBY-ZDUSSCGKSA-N 0 0 384.910 3.567 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)nc1 ZINC000132642911 887683378 /nfs/dbraw/zinc/68/33/78/887683378.db2.gz LZIXBLCGWVHNDC-UHFFFAOYSA-N 0 0 377.448 3.836 10 0 GHAERN CC[C@@H](NC(=O)NCc1ccc(Cn2ccccc2=O)cc1)c1nc(C)cs1 ZINC000105183870 887780789 /nfs/dbraw/zinc/78/07/89/887780789.db2.gz BOFNEZQQAQQDOC-GOSISDBHSA-N 0 0 396.516 3.612 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000134296112 887850108 /nfs/dbraw/zinc/85/01/08/887850108.db2.gz ISEASWXWXVNCEU-LPHOPBHVSA-N 0 0 375.538 3.557 10 0 GHAERN O=C(c1cc(-n2cccn2)ccn1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134943670 887928963 /nfs/dbraw/zinc/92/89/63/887928963.db2.gz GVIZKFUKKKVBSN-SFHVURJKSA-N 0 0 398.470 3.677 10 0 GHAERN O=C(c1ccncc1I)N1CC=C(c2cccs2)CC1 ZINC000135099150 887944885 /nfs/dbraw/zinc/94/48/85/887944885.db2.gz KFADRSMVAHJXFU-UHFFFAOYSA-N 0 0 396.253 3.677 10 0 GHAERN CN1CC[C@H](CNC(=O)c2ccccc2COC2CCOCC2)c2ccccc21 ZINC000135113765 887945016 /nfs/dbraw/zinc/94/50/16/887945016.db2.gz IIYBBMMGXCGJBS-GOSISDBHSA-N 0 0 394.515 3.736 10 0 GHAERN O=C(N[C@@H]1CCCc2ccccc21)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000053955461 888255615 /nfs/dbraw/zinc/25/56/15/888255615.db2.gz PLALBIKHFWVFTD-PKOBYXMFSA-N 0 0 375.476 3.696 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000054024372 888261087 /nfs/dbraw/zinc/26/10/87/888261087.db2.gz SAJROXGXUIQSTJ-UYAOXDASSA-N 0 0 375.476 3.770 10 0 GHAERN Cc1ccc(Br)cc1NC(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000137117386 888334110 /nfs/dbraw/zinc/33/41/10/888334110.db2.gz CEAZGQJNYBLYDH-HNNXBMFYSA-N 0 0 376.254 3.838 10 0 GHAERN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000062573389 888508478 /nfs/dbraw/zinc/50/84/78/888508478.db2.gz ZMVXVAHCLFHIRK-INIZCTEOSA-N 0 0 390.405 3.526 10 0 GHAERN O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccc(Cl)cc1Cl ZINC000062573420 888508652 /nfs/dbraw/zinc/50/86/52/888508652.db2.gz YOPUWDCHMABUBG-HNNXBMFYSA-N 0 0 391.298 3.814 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000193799235 888525340 /nfs/dbraw/zinc/52/53/40/888525340.db2.gz YWPBPIPFRZUGAX-ICSRJNTNSA-N 0 0 393.487 3.503 10 0 GHAERN C[C@@H](CC(=O)N1CCC(c2nc(N(C)C)no2)CC1)Cc1ccc(Cl)cc1 ZINC000193963145 888544921 /nfs/dbraw/zinc/54/49/21/888544921.db2.gz UAEAMQGYLJJNSG-CQSZACIVSA-N 0 0 390.915 3.764 10 0 GHAERN O=C(NCc1ccco1)c1ccccc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000195378859 888657198 /nfs/dbraw/zinc/65/71/98/888657198.db2.gz ROXZZOCATGIIJJ-SFHVURJKSA-N 0 0 375.428 3.663 10 0 GHAERN Cc1noc(C)c1CC(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245608922 889060748 /nfs/dbraw/zinc/06/07/48/889060748.db2.gz UGZHBHRTFYEGKL-ICSRJNTNSA-N 0 0 393.890 3.967 10 0 GHAERN CCCn1ccc2cc(NC(=O)C3CCN(C(=O)c4cnoc4C)CC3)ccc21 ZINC000065316975 889067290 /nfs/dbraw/zinc/06/72/90/889067290.db2.gz PEEFPRUAKONDIZ-UHFFFAOYSA-N 0 0 394.475 3.839 10 0 GHAERN C[N@@H+]1CC[C@H](CNC(=O)CCc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245756828 889651642 /nfs/dbraw/zinc/65/16/42/889651642.db2.gz YOAATPDWXUQUCV-FOIQADDNSA-N 0 0 375.875 3.616 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1)c1ccc(F)c(F)c1 ZINC000246019487 890189448 /nfs/dbraw/zinc/18/94/48/890189448.db2.gz LFQOHLYADUSTJP-JCGIZDLHSA-N 0 0 394.418 3.543 10 0 GHAERN CC[C@@H]1Oc2cc([C@@H](C)N[C@H](C)c3nc(-c4cccnc4)no3)ccc2NC1=O ZINC000246188299 890628427 /nfs/dbraw/zinc/62/84/27/890628427.db2.gz ASLSLSHOCVEECH-XNJGSVPQSA-N 0 0 393.447 3.653 10 0 GHAERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246219308 890723279 /nfs/dbraw/zinc/72/32/79/890723279.db2.gz VSXLJHVNYUZNJH-KBAYOESNSA-N 0 0 381.480 3.605 10 0 GHAERN CC[C@@H](C)c1ccc(NC(=O)CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000246211558 890740637 /nfs/dbraw/zinc/74/06/37/890740637.db2.gz ZJIUWEJFSHMHAB-SJLPKXTDSA-N 0 0 381.524 3.556 10 0 GHAERN CCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246239232 890805392 /nfs/dbraw/zinc/80/53/92/890805392.db2.gz ZMUPYZJHCKWNLK-KKUMJFAQSA-N 0 0 378.398 3.614 10 0 GHAERN CC(C)CC(=O)N[C@@H](C(=O)Nc1cccc(-c2ncon2)c1)c1ccccc1 ZINC000066658229 891125648 /nfs/dbraw/zinc/12/56/48/891125648.db2.gz VJKNGAITVWOWNO-LJQANCHMSA-N 0 0 378.432 3.579 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000068275896 891174114 /nfs/dbraw/zinc/17/41/14/891174114.db2.gz CMGMYUUMGWSWSC-RDJZCZTQSA-N 0 0 378.428 3.814 10 0 GHAERN CC(C)Oc1cccc(C=CC(=O)N2CCC(c3n[nH]c(=S)n3C)CC2)c1 ZINC000068426491 891178494 /nfs/dbraw/zinc/17/84/94/891178494.db2.gz LODKMDBEFJRAIZ-BQYQJAHWSA-N 0 0 386.521 3.684 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000246670872 891297869 /nfs/dbraw/zinc/29/78/69/891297869.db2.gz VBBRWSZFKPJIKH-VUCTXSBTSA-N 0 0 379.382 3.679 10 0 GHAERN CN(C(=O)c1ccco1)c1ccccc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246714836 891300041 /nfs/dbraw/zinc/30/00/41/891300041.db2.gz NMGIPYMNWIOHRR-NSISKUIASA-N 0 0 394.471 3.634 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)cc2)CCO1 ZINC000246736330 891302807 /nfs/dbraw/zinc/30/28/07/891302807.db2.gz NSBJVGAUAOXBON-KUHUBIRLSA-N 0 0 385.439 3.696 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1cccc(Cl)c1F ZINC000246853594 891315369 /nfs/dbraw/zinc/31/53/69/891315369.db2.gz DNBPGSRCMVXHBQ-CZUORRHYSA-N 0 0 376.863 3.906 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1)C(C)C ZINC000246928026 891345838 /nfs/dbraw/zinc/34/58/38/891345838.db2.gz RZERDAIYBRLINY-NJDAHSKKSA-N 0 0 399.535 3.913 10 0 GHAERN CC(C)CO[C@H](C)c1noc(CN2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000247271004 891362187 /nfs/dbraw/zinc/36/21/87/891362187.db2.gz WIPGBIJLROVKHK-PMPSAXMXSA-N 0 0 379.526 3.953 10 0 GHAERN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000248607004 891444666 /nfs/dbraw/zinc/44/46/66/891444666.db2.gz DAGWSCSIADCIJT-BHIFYINESA-N 0 0 380.488 3.644 10 0 GHAERN CC(=O)NC(C)(C)c1noc([C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)c2ccccc2)n1 ZINC000248674235 891457082 /nfs/dbraw/zinc/45/70/82/891457082.db2.gz WSFCIYHJYJHOHK-KSZLIROESA-N 0 0 396.491 3.587 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@@H](C)C[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248753116 891466478 /nfs/dbraw/zinc/46/64/78/891466478.db2.gz UNCZUPIRQVYEKB-SIFCLUCFSA-N 0 0 375.488 3.697 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000248927142 891481666 /nfs/dbraw/zinc/48/16/66/891481666.db2.gz XIHGADDBUFVHRF-JKBKZWBZSA-N 0 0 384.476 3.797 10 0 GHAERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N1CCC(Cn2cncn2)CC1)c1ccc(Cl)cc1 ZINC000249286157 891484815 /nfs/dbraw/zinc/48/48/15/891484815.db2.gz SJTWQWKZHGTWOQ-CCKFTAQKSA-N 0 0 387.915 3.750 10 0 GHAERN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251907494 891662149 /nfs/dbraw/zinc/66/21/49/891662149.db2.gz RLGNOYQUJKZZBG-YSVLISHTSA-N 0 0 381.929 3.582 10 0 GHAERN CN(C(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)C1CCCCC1 ZINC000251914273 891662543 /nfs/dbraw/zinc/66/25/43/891662543.db2.gz RXTKNBPEUSPSOV-PWIZWCRZSA-N 0 0 385.508 3.780 10 0 GHAERN Cc1sc2nc(CCC(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)[nH]c(=O)c2c1C ZINC000253553938 891879727 /nfs/dbraw/zinc/87/97/27/891879727.db2.gz DJEUETVIQIXHHR-JXXFODFXSA-N 0 0 393.512 3.648 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000332957167 893372106 /nfs/dbraw/zinc/37/21/06/893372106.db2.gz CANXYJQRORIEGW-VSKRKVRLSA-N 0 0 396.487 3.704 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)c3cc(F)c(F)c(F)c3F)C2)c1 ZINC000102382698 898007274 /nfs/dbraw/zinc/00/72/74/898007274.db2.gz WJYVRYWYEJSMAQ-LLVKDONJSA-N 0 0 382.357 3.508 10 0 GHAERN O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000333087690 899950242 /nfs/dbraw/zinc/95/02/42/899950242.db2.gz AGUZYIVFKHQWDJ-KGYLQXTDSA-N 0 0 394.484 3.860 10 0 GHAERN CC(C)[C@@H]1C[C@@H](CNC(=O)N[C@H](C)c2nnc3n2CCCC3)c2ccccc21 ZINC000333355480 902031455 /nfs/dbraw/zinc/03/14/55/902031455.db2.gz WNTNWZLZDAIJSZ-GJYPPUQNSA-N 0 0 381.524 3.902 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000282789808 904321151 /nfs/dbraw/zinc/32/11/51/904321151.db2.gz YTTUWPJHZJYAIC-XKRYSZRTSA-N 0 0 390.499 3.771 10 0 GHAERN CCc1nc(C2(NC(=O)Nc3cccc(-c4noc(C)n4)c3)CCCC2)no1 ZINC000176526895 905865631 /nfs/dbraw/zinc/86/56/31/905865631.db2.gz OPBDRWBPESVPKA-UHFFFAOYSA-N 0 0 382.424 3.581 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000181379079 906985648 /nfs/dbraw/zinc/98/56/48/906985648.db2.gz MSMSXXWLBQNNJG-IRXDYDNUSA-N 0 0 399.495 3.514 10 0 GHAERN CCc1ccc(-c2nc(CC(=O)N3CCCC[C@@H]3c3nc[nH]n3)cs2)cc1 ZINC000182112077 907137009 /nfs/dbraw/zinc/13/70/09/907137009.db2.gz CROIHXDYBVOZJK-QGZVFWFLSA-N 0 0 381.505 3.787 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)C(C)C)ccc2F)cs1 ZINC000187005072 908018537 /nfs/dbraw/zinc/01/85/37/908018537.db2.gz LOMQYJXDWNQFQN-KRWDZBQOSA-N 0 0 396.509 3.750 10 0 GHAERN COC[C@@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(F)c(F)c1 ZINC000187376644 908083190 /nfs/dbraw/zinc/08/31/90/908083190.db2.gz ITPNXJNHQLEJPA-WBVHZDCISA-N 0 0 381.448 3.964 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2c(C)c(C)oc2-c2ccccc2)C1 ZINC000189259143 908302271 /nfs/dbraw/zinc/30/22/71/908302271.db2.gz ZPIHHMONWMWPSO-DLBZAZTESA-N 0 0 381.432 3.857 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000189373965 908312257 /nfs/dbraw/zinc/31/22/57/908312257.db2.gz SAJCJHGXKWNTMD-AZUAARDMSA-N 0 0 392.459 3.963 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 ZINC000189417100 908319114 /nfs/dbraw/zinc/31/91/14/908319114.db2.gz CEZBFMSQKAINDF-SMDDNHRTSA-N 0 0 385.251 3.987 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)cs1 ZINC000189446571 908324813 /nfs/dbraw/zinc/32/48/13/908324813.db2.gz FJQJLDCXIMKNDK-AWEZNQCLSA-N 0 0 385.823 3.685 10 0 GHAERN CN(CC1CC(O)C1)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000189674371 908363829 /nfs/dbraw/zinc/36/38/29/908363829.db2.gz XNALNZDTZJKGFB-UHFFFAOYSA-N 0 0 381.192 3.703 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CC2(CSc3ccccc3)CC2)C1 ZINC000190002457 908399756 /nfs/dbraw/zinc/39/97/56/908399756.db2.gz ZQZKXGNHPPHDKE-NVXWUHKLSA-N 0 0 387.505 3.629 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000190026860 908406500 /nfs/dbraw/zinc/40/65/00/908406500.db2.gz QNZAXMAJYMIDNO-PMACEKPBSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000190032233 908408634 /nfs/dbraw/zinc/40/86/34/908408634.db2.gz MADLSJDKTGFECX-XZJROXQQSA-N 0 0 397.397 3.564 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Sc2ccccc2Cl)C1 ZINC000190055805 908414651 /nfs/dbraw/zinc/41/46/51/908414651.db2.gz OSOMKWXWHIOAHZ-QKCSRTOESA-N 0 0 381.885 3.501 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000190078951 908420854 /nfs/dbraw/zinc/42/08/54/908420854.db2.gz YKRRRPAXHPUYIA-WOJBJXKFSA-N 0 0 379.460 3.843 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)cc2C(F)(F)F)C1 ZINC000190128334 908434315 /nfs/dbraw/zinc/43/43/15/908434315.db2.gz SPDKGGVAHJJHQO-ZWNOBZJWSA-N 0 0 388.321 3.530 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)C1 ZINC000190133982 908435404 /nfs/dbraw/zinc/43/54/04/908435404.db2.gz WATXXLCSPFFTLT-WBVHZDCISA-N 0 0 397.435 3.644 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000190133180 908435755 /nfs/dbraw/zinc/43/57/55/908435755.db2.gz SHBVPSQDHAFQEP-HUUCEWRRSA-N 0 0 398.385 3.867 10 0 GHAERN C[C@@H](c1cccc(Br)c1)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000375329991 928175710 /nfs/dbraw/zinc/17/57/10/928175710.db2.gz XCIDSROZCNDJFH-ZDUSSCGKSA-N 0 0 379.298 3.514 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N2CCC[C@@H]2c2ccncc2)c2ccc(F)cc2C1 ZINC000184025861 1014570636 /nfs/dbraw/zinc/57/06/36/1014570636.db2.gz RTFJCUXDPSZOGF-NHCUHLMSSA-N 0 0 396.466 3.561 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(C)s2)c2ccc(F)cc2C1 ZINC000184029910 1014571575 /nfs/dbraw/zinc/57/15/75/1014571575.db2.gz WGTJSCUHJGDCCN-LJQANCHMSA-N 0 0 389.496 3.831 10 0 GHAERN NS(=O)(=O)c1ccc(Sc2ccc(NC(=O)c3ccccc3)cc2)s1 ZINC000211821091 222571697 /nfs/dbraw/zinc/57/16/97/222571697.db2.gz GPKVJDACFVHZCG-UHFFFAOYSA-N 0 0 390.511 3.799 10 0 GHAERN COc1cccc(CC2=NO[C@@H](C(=O)N(Cc3ccccc3)CC3CC3)C2)c1 ZINC000299765469 222785542 /nfs/dbraw/zinc/78/55/42/222785542.db2.gz HFPVVCSITBVLON-JOCHJYFZSA-N 0 0 378.472 3.821 10 0 GHAERN C[C@@H](NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1Br ZINC000008500162 221043093 /nfs/dbraw/zinc/04/30/93/221043093.db2.gz ICSRZTVKTUQRNW-SECBINFHSA-N 0 0 376.222 3.767 10 0 GHAERN Cc1ccn(CC(=O)NC[C@H]2Cc3cc(-c4ccc(C)c(F)c4)cc(F)c3O2)n1 ZINC000012133235 221157898 /nfs/dbraw/zinc/15/78/98/221157898.db2.gz INERUSSBRPEUDL-GOSISDBHSA-N 0 0 397.425 3.565 10 0 GHAERN Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)c1ccc(CN(C)C)o1 ZINC000012193568 221165341 /nfs/dbraw/zinc/16/53/41/221165341.db2.gz XKRSTUMIPSUWEM-OAHLLOKOSA-N 0 0 399.539 3.700 10 0 GHAERN CCn1ccnc1CN1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012433798 221193619 /nfs/dbraw/zinc/19/36/19/221193619.db2.gz LSGBMCQNNUKQIL-UHFFFAOYSA-N 0 0 381.442 3.739 10 0 GHAERN CCOC(=O)c1nn(CC(C)C)c2c1CN(Cc1cn(C)c3ccccc13)CC2 ZINC000014743561 221315676 /nfs/dbraw/zinc/31/56/76/221315676.db2.gz AARKJOYUIBVSLP-UHFFFAOYSA-N 0 0 394.519 3.766 10 0 GHAERN COc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)sc2c1 ZINC000020373608 221483675 /nfs/dbraw/zinc/48/36/75/221483675.db2.gz FOSYCINGTACJKF-AWEZNQCLSA-N 0 0 395.484 3.913 10 0 GHAERN CCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000021705778 221538229 /nfs/dbraw/zinc/53/82/29/221538229.db2.gz OCUHPXLFQDPTKH-SFHVURJKSA-N 0 0 399.535 3.726 10 0 GHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000023975620 221606536 /nfs/dbraw/zinc/60/65/36/221606536.db2.gz AHBXDHDPDWMWMV-IJXRJRJASA-N 0 0 382.504 3.538 10 0 GHAERN COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)[nH]n2)c(OC)c1 ZINC000057477320 222033762 /nfs/dbraw/zinc/03/37/62/222033762.db2.gz OXXQFSHDUHYJDM-UHFFFAOYSA-N 0 0 389.814 3.816 10 0 GHAERN CC[C@H]1C(=O)NCCN1Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000055359674 222020406 /nfs/dbraw/zinc/02/04/06/222020406.db2.gz AJLBFBCUVWCATE-NRFANRHFSA-N 0 0 390.487 3.590 10 0 GHAERN COc1cccc(Cn2nnc3cc(C(=O)Nc4ccc(Cl)cn4)ccc32)c1 ZINC000065030325 222096223 /nfs/dbraw/zinc/09/62/23/222096223.db2.gz HFJCWMUKZHXPEF-UHFFFAOYSA-N 0 0 393.834 3.789 10 0 GHAERN Cc1ccc2c(cc(NC(=O)C3CC3)cc2C(=O)NCCc2cccs2)n1 ZINC000065136048 222103779 /nfs/dbraw/zinc/10/37/79/222103779.db2.gz OVGSCVLDHCMCJS-UHFFFAOYSA-N 0 0 379.485 3.926 10 0 GHAERN CC(C)c1ccc(S(=O)(=O)NCCc2nc3cccnc3n2C(C)C)cc1 ZINC000064755552 222080913 /nfs/dbraw/zinc/08/09/13/222080913.db2.gz RKLYSGUPDOQDTL-UHFFFAOYSA-N 0 0 386.521 3.657 10 0 GHAERN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)s2)c(Cl)c1 ZINC000064892510 222085933 /nfs/dbraw/zinc/08/59/33/222085933.db2.gz CRFOMDBRALNSTA-UHFFFAOYSA-N 0 0 384.910 3.747 10 0 GHAERN CCc1csc(-c2cn(CC(=O)Nc3ccc(OC)c(Cl)c3)cn2)n1 ZINC000065250548 222116682 /nfs/dbraw/zinc/11/66/82/222116682.db2.gz VVKKPDBEWIVREI-UHFFFAOYSA-N 0 0 376.869 3.870 10 0 GHAERN COc1ncccc1NC(=O)c1cc2c(c3ccccc3n2C)n1-c1ncccn1 ZINC000096087862 222378713 /nfs/dbraw/zinc/37/87/13/222378713.db2.gz YISZCRXDVRLPFN-UHFFFAOYSA-N 0 0 398.426 3.568 10 0 GHAERN Cc1ccc2nc(NC[C@H]3CCCO3)n3c(-c4ccc(F)cc4)nnc3c2c1 ZINC000034699780 518190112 /nfs/dbraw/zinc/19/01/12/518190112.db2.gz NXRJCMQJEDMMKD-MRXNPFEDSA-N 0 0 377.423 3.983 10 0 GHAERN CCOc1nc2ccccc2nc1N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000095091771 535571710 /nfs/dbraw/zinc/57/17/10/535571710.db2.gz DBHHHRYYOHQIPI-UHFFFAOYSA-N 0 0 386.496 3.864 10 0 GHAERN COc1ccc(CN2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1 ZINC000021639343 570293848 /nfs/dbraw/zinc/29/38/48/570293848.db2.gz CAMWYJDJPZGETG-UHFFFAOYSA-N 0 0 376.460 3.796 10 0 GHAERN Cc1ccc(N2CCC[C@@H](C(=O)C(C)C)C2=O)cc1I ZINC000536951561 570470151 /nfs/dbraw/zinc/47/01/51/570470151.db2.gz WNZKJMXNRGNQCI-ZDUSSCGKSA-N 0 0 385.245 3.568 10 0 GHAERN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@@H]1C(=O)NCC1CC1 ZINC000036052366 570523121 /nfs/dbraw/zinc/52/31/21/570523121.db2.gz JSQHTNBLUGQDSV-SFTDATJTSA-N 0 0 380.463 3.516 10 0 GHAERN COCCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(OC)cc3)cn21 ZINC000006748705 570567136 /nfs/dbraw/zinc/56/71/36/570567136.db2.gz CHUNTOJAIHMTMY-UHFFFAOYSA-N 0 0 395.484 3.991 10 0 GHAERN CC(=O)Nc1snc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1Br ZINC000498050534 570909230 /nfs/dbraw/zinc/90/92/30/570909230.db2.gz LPWSZJRSDXSJNG-SECBINFHSA-N 0 0 390.303 3.588 10 0 GHAERN NC(=O)c1ccc([C@@H]2CCCN2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192715 570946249 /nfs/dbraw/zinc/94/62/49/570946249.db2.gz NFTVWSVLBGXNQS-AWEZNQCLSA-N 0 0 388.876 3.944 10 0 GHAERN COc1cc(C)ccc1OC[C@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000037607083 571038320 /nfs/dbraw/zinc/03/83/20/571038320.db2.gz TXERBYQKDVXYFD-OAHLLOKOSA-N 0 0 375.852 3.577 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176439642 837583682 /nfs/dbraw/zinc/58/36/82/837583682.db2.gz JBLLLABWEGPENJ-HDMKZQKVSA-N 0 0 386.446 3.750 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC(n2cncn2)CC1 ZINC000156576948 834439191 /nfs/dbraw/zinc/43/91/91/834439191.db2.gz FJMMYLQDZREHKO-QGZVFWFLSA-N 0 0 391.475 3.735 10 0 GHAERN COc1cccc(C2(C(=O)N3CCC[C@H](Cn4nc(C)nc4C)C3)CCCC2)c1 ZINC000116775473 834451918 /nfs/dbraw/zinc/45/19/18/834451918.db2.gz PAWPPJJQDJBVHO-IBGZPJMESA-N 0 0 396.535 3.654 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Nc3ccnn3[C@H](C)C3CC3)C2)c1 ZINC000156619070 834476025 /nfs/dbraw/zinc/47/60/25/834476025.db2.gz ZYFOCFUIRZAGJO-GDBMZVCRSA-N 0 0 384.480 3.893 10 0 GHAERN CCc1nc(C)cc(N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 ZINC000329216726 834562676 /nfs/dbraw/zinc/56/26/76/834562676.db2.gz OZMYCOVLWRXFLJ-IBGZPJMESA-N 0 0 395.482 3.867 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H]3CCCN3C(=O)CC(C)(C)C)C2)n1 ZINC000329285762 834750739 /nfs/dbraw/zinc/75/07/39/834750739.db2.gz OLJRLSFHRQNMAR-RDJZCZTQSA-N 0 0 391.581 3.839 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)c1 ZINC000157180218 834787983 /nfs/dbraw/zinc/78/79/83/834787983.db2.gz TYHCVEAFXLXQIV-SJLPKXTDSA-N 0 0 388.508 3.695 10 0 GHAERN CC(C)N(C)c1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1F ZINC000157193857 834796728 /nfs/dbraw/zinc/79/67/28/834796728.db2.gz NCKBRKDJSHCSTM-UHFFFAOYSA-N 0 0 387.503 3.890 10 0 GHAERN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408407036 834867293 /nfs/dbraw/zinc/86/72/93/834867293.db2.gz PGWUOYOMPFZFEO-BFUOFWGJSA-N 0 0 394.302 3.946 10 0 GHAERN COc1ccc(C2(C(=O)N3CCC[C@H](Cn4nc(C)nc4C)C3)CCCC2)cc1 ZINC000329341849 834872065 /nfs/dbraw/zinc/87/20/65/834872065.db2.gz SICNKGIRABVGTB-IBGZPJMESA-N 0 0 396.535 3.654 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CCC(C)(C)c4ccccc43)CC2)n1 ZINC000111844812 834999698 /nfs/dbraw/zinc/99/96/98/834999698.db2.gz ZBXCKVQXBGFPJU-HNAYVOBHSA-N 0 0 397.523 3.579 10 0 GHAERN COCCN(Cc1sccc1Br)C(=O)/C=C\c1ccc(O)cc1 ZINC000588586482 835235330 /nfs/dbraw/zinc/23/53/30/835235330.db2.gz RQQWLMKPDQXNIA-DAXSKMNVSA-N 0 0 396.306 3.905 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000101525658 835302762 /nfs/dbraw/zinc/30/27/62/835302762.db2.gz YUMIAUJJHKEBIQ-UHFFFAOYSA-N 0 0 389.415 3.733 10 0 GHAERN Cn1nccc1C1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)CC1 ZINC000158444141 835379513 /nfs/dbraw/zinc/37/95/13/835379513.db2.gz OJMMQTWZAVQDRK-UHFFFAOYSA-N 0 0 398.898 3.730 10 0 GHAERN C[C@@H](NC(=O)N1CCC(n2cncn2)CC1)c1c(Cl)ccc(F)c1Cl ZINC000101798373 835586571 /nfs/dbraw/zinc/58/65/71/835586571.db2.gz GUXOCQQNMUAFIN-SNVBAGLBSA-N 0 0 386.258 3.832 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000332729524 836492184 /nfs/dbraw/zinc/49/21/84/836492184.db2.gz XVAXEOLJDVNFPY-WTGUMLROSA-N 0 0 381.520 3.556 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2ccc(Br)c(Cl)c2)[nH]1 ZINC000407982414 838388668 /nfs/dbraw/zinc/38/86/68/838388668.db2.gz YNBQOIDSUZTTDC-ZDUSSCGKSA-N 0 0 383.677 3.896 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000181736711 838626405 /nfs/dbraw/zinc/62/64/05/838626405.db2.gz DJGPFDCGKDOBBJ-SJORKVTESA-N 0 0 385.512 3.945 10 0 GHAERN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)cc1Cl ZINC000408027508 838691563 /nfs/dbraw/zinc/69/15/63/838691563.db2.gz OEHGQOJXMQXVHO-GOSISDBHSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 ZINC000408029949 838714001 /nfs/dbraw/zinc/71/40/01/838714001.db2.gz ZEFRSVQIKWODLJ-QGZVFWFLSA-N 0 0 393.940 3.787 10 0 GHAERN CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@H]3C)o2)CC12CCCCC2 ZINC000408044444 839446898 /nfs/dbraw/zinc/44/68/98/839446898.db2.gz UZKBXHUSRSOWMF-XGXHKWSGSA-N 0 0 384.520 3.900 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NCc1ccccc1OC1CCC1)C2 ZINC000118587217 839967278 /nfs/dbraw/zinc/96/72/78/839967278.db2.gz AELQBQMIOIHZPX-UHFFFAOYSA-N 0 0 382.508 3.743 10 0 GHAERN O=C(CCC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000108458219 840192227 /nfs/dbraw/zinc/19/22/27/840192227.db2.gz ZXTRITMRTANFNU-JOCHJYFZSA-N 0 0 387.426 3.900 10 0 GHAERN O=C(NCc1cc(Cl)sc1Cl)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000408085994 840334887 /nfs/dbraw/zinc/33/48/87/840334887.db2.gz FMQRONHZVVEIJK-HZMBPMFUSA-N 0 0 381.350 3.909 10 0 GHAERN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000109081151 840687511 /nfs/dbraw/zinc/68/75/11/840687511.db2.gz HVQZKGRRBKCVRP-ROUUACIJSA-N 0 0 390.474 3.710 10 0 GHAERN C[C@@H]1C[C@H](C(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)CC(C)(C)C1 ZINC000183962605 840713083 /nfs/dbraw/zinc/71/30/83/840713083.db2.gz PNSHWCLVRAHXBI-SJORKVTESA-N 0 0 390.572 3.864 10 0 GHAERN Cc1cnn([C@H]2CCCN([C@@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000106221974 840805933 /nfs/dbraw/zinc/80/59/33/840805933.db2.gz AYGJKXXTEGDCPM-ZFWWWQNUSA-N 0 0 387.484 3.604 10 0 GHAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)C2)c1 ZINC000106222894 840806075 /nfs/dbraw/zinc/80/60/75/840806075.db2.gz KFHOWTNDXBGCJD-GOSISDBHSA-N 0 0 396.491 3.509 10 0 GHAERN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000408110558 840872329 /nfs/dbraw/zinc/87/23/29/840872329.db2.gz RQZXAEZIWLVQFY-WGGBDISSSA-N 0 0 378.520 3.937 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000408133304 841083907 /nfs/dbraw/zinc/08/39/07/841083907.db2.gz OEZDJOZHKPJNFT-DNVFCKCGSA-N 0 0 385.552 3.647 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCC[C@H](c2nc(C)c(C)s2)C1)c1cccs1 ZINC000332888932 844608384 /nfs/dbraw/zinc/60/83/84/844608384.db2.gz IBHZNACDPZOTBM-HOTGVXAUSA-N 0 0 391.562 3.795 10 0 GHAERN Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000107098321 841182188 /nfs/dbraw/zinc/18/21/88/841182188.db2.gz QUTNIIWVVBVJPL-SFHVURJKSA-N 0 0 391.519 3.611 10 0 GHAERN Cc1ccc(/C=C\Cc2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1 ZINC000588407826 841224334 /nfs/dbraw/zinc/22/43/34/841224334.db2.gz GOYJHLNJBJQJLA-KEGWNNHHSA-N 0 0 385.464 3.942 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)C2)nn1 ZINC000332881185 844621187 /nfs/dbraw/zinc/62/11/87/844621187.db2.gz LTGMETLERAFEJK-UKRRQHHQSA-N 0 0 391.878 3.607 10 0 GHAERN O=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000332899412 844634156 /nfs/dbraw/zinc/63/41/56/844634156.db2.gz LLTMUWXJXNGTSC-SJORKVTESA-N 0 0 399.878 3.658 10 0 GHAERN O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408168340 841668016 /nfs/dbraw/zinc/66/80/16/841668016.db2.gz GCMNKXFOMITDRX-BRWVUGGUSA-N 0 0 381.314 3.674 10 0 GHAERN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCn4ccnc4C3)c12 ZINC000329295615 861257748 /nfs/dbraw/zinc/25/77/48/861257748.db2.gz KBZCMFDXPCMMSP-UHFFFAOYSA-N 0 0 379.464 3.541 10 0 GHAERN O=C([C@@H]1CCc2ccccc21)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000329318557 861279734 /nfs/dbraw/zinc/27/97/34/861279734.db2.gz QYIPEPHNVRINCY-MOPGFXCFSA-N 0 0 381.476 3.747 10 0 GHAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)c1 ZINC000588428527 842233836 /nfs/dbraw/zinc/23/38/36/842233836.db2.gz JCRJDMLIVYZIKB-WMHRWZGDSA-N 0 0 398.528 3.704 10 0 GHAERN CCCOc1ccccc1Oc1ncccc1CNC(=O)/C=C\c1ccncn1 ZINC000588437362 842605277 /nfs/dbraw/zinc/60/52/77/842605277.db2.gz YPPVGHKROQNTRC-KTKRTIGZSA-N 0 0 390.443 3.782 10 0 GHAERN Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000162474615 843259050 /nfs/dbraw/zinc/25/90/50/843259050.db2.gz WTLVJTLKHGCRGI-UHFFFAOYSA-N 0 0 378.476 3.548 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000162524804 843261773 /nfs/dbraw/zinc/26/17/73/843261773.db2.gz ILZOISYVSSOQFX-QPJJXVBHSA-N 0 0 375.419 3.516 10 0 GHAERN Cc1noc([C@H]2C[C@H](O)CN2C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)n1 ZINC000408384869 843278090 /nfs/dbraw/zinc/27/80/90/843278090.db2.gz GWLKMEWNIOEJFU-SOUVJXGZSA-N 0 0 389.521 3.539 10 0 GHAERN C[C@@H](CNS(=O)(=O)/C=C\c1ccc(Br)cc1)c1nccs1 ZINC000588450800 843280566 /nfs/dbraw/zinc/28/05/66/843280566.db2.gz KBIDDBWNSLKLRY-WDDYJBPVSA-N 0 0 387.324 3.599 10 0 GHAERN COc1ccc(-c2nc(C(=O)N3CCC(Cc4nccn4C)CC3)cs2)cc1 ZINC000162650638 843293856 /nfs/dbraw/zinc/29/38/56/843293856.db2.gz VXEPQVBUSINNID-UHFFFAOYSA-N 0 0 396.516 3.647 10 0 GHAERN CC(C)c1nnc2n1CCN(c1nnc(-c3cc4c(s3)CCCCC4)n1C)C2 ZINC000329422019 861399957 /nfs/dbraw/zinc/39/99/57/861399957.db2.gz HVFAXTFJFNQWGE-UHFFFAOYSA-N 0 0 397.552 3.548 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000329425295 861403059 /nfs/dbraw/zinc/40/30/59/861403059.db2.gz GTCSALWSIXUHHI-QUCCMNQESA-N 0 0 394.519 3.568 10 0 GHAERN CC[C@@H](NC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1nc(C)cs1 ZINC000112453552 843355250 /nfs/dbraw/zinc/35/52/50/843355250.db2.gz RXTLXTVROPKJMJ-CQSZACIVSA-N 0 0 392.550 3.522 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(C(N)=O)ccc1NCc1ccccc1 ZINC000588455816 843359196 /nfs/dbraw/zinc/35/91/96/843359196.db2.gz BKHBJKIXSAYIEF-QXMHVHEDSA-N 0 0 386.455 3.753 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000121466582 843374438 /nfs/dbraw/zinc/37/44/38/843374438.db2.gz OCQDZFZUDGJGSP-YVEFUNNKSA-N 0 0 383.286 3.617 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)o1 ZINC000408238725 843516350 /nfs/dbraw/zinc/51/63/50/843516350.db2.gz VYDIOUINSAKPLI-INIZCTEOSA-N 0 0 392.452 3.528 10 0 GHAERN O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408259576 843620950 /nfs/dbraw/zinc/62/09/50/843620950.db2.gz NKAGUCGPMBVOSR-HXUWFJFHSA-N 0 0 391.899 3.795 10 0 GHAERN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330307806 843641756 /nfs/dbraw/zinc/64/17/56/843641756.db2.gz LYQUEZMMIAFMNF-KUHUBIRLSA-N 0 0 388.464 3.641 10 0 GHAERN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4C[C@H](C)CC(C)(C)C4)n3)ccn2)CC1 ZINC000329447758 861442003 /nfs/dbraw/zinc/44/20/03/861442003.db2.gz BWWQVTVONZYHNP-MAUKXSAKSA-N 0 0 397.523 3.730 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@]2(CC=CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176077976 843797399 /nfs/dbraw/zinc/79/73/99/843797399.db2.gz GNMKYTOVSSEMNC-YWZLYKJASA-N 0 0 394.512 3.822 10 0 GHAERN CCO[C@H]1C[C@H](O)C12CCN(C(=O)NC1CC(c3cccc(Cl)c3)C1)CC2 ZINC000332958559 844841570 /nfs/dbraw/zinc/84/15/70/844841570.db2.gz GRHOPOFEYQTOHD-FYOYPEGLSA-N 0 0 392.927 3.548 10 0 GHAERN CCC1(CC)CN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC[S@]1=O ZINC000588486175 845105378 /nfs/dbraw/zinc/10/53/78/845105378.db2.gz QQTHMDHRTDNCKG-OYLZNMFWSA-N 0 0 385.476 3.841 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2ccc(F)cc2O1 ZINC000332978206 845236492 /nfs/dbraw/zinc/23/64/92/845236492.db2.gz XVVVRJRHTBXGIA-LFRPXUGBSA-N 0 0 376.472 3.765 10 0 GHAERN O=C(Nc1ccccc1N1CCCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151783544 845732731 /nfs/dbraw/zinc/73/27/31/845732731.db2.gz NIZHGVXAVBXBMJ-UHFFFAOYSA-N 0 0 392.503 3.563 10 0 GHAERN CCO[C@@H]1C[C@H](OC(=O)/C=C\c2cnc(C(C)(C)C)s2)C12CCOCC2 ZINC000588492916 845988567 /nfs/dbraw/zinc/98/85/67/845988567.db2.gz UEQZHJGTAZVQBM-UWUBPMADSA-N 0 0 379.522 3.971 10 0 GHAERN C[C@H]1C[C@H](c2noc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)C[C@@H](C)C1 ZINC000329547651 861630943 /nfs/dbraw/zinc/63/09/43/861630943.db2.gz AZPQQRIJSFWHIJ-JLXHKYTDSA-N 0 0 394.475 3.707 10 0 GHAERN CC[C@H]1OCCC[C@H]1C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000277476684 846331695 /nfs/dbraw/zinc/33/16/95/846331695.db2.gz JKTNZEJWNFAWPA-QZTJIDSGSA-N 0 0 393.915 3.611 10 0 GHAERN O=C(Nc1cccc(-c2ncco2)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000152218818 846424094 /nfs/dbraw/zinc/42/40/94/846424094.db2.gz NMLPHLXVKAGSEK-UHFFFAOYSA-N 0 0 396.472 3.783 10 0 GHAERN C[C@H]1CN(C(=O)NC2CCN(c3cccs3)CC2)C[C@H](c2ccsc2)O1 ZINC000152560810 847314353 /nfs/dbraw/zinc/31/43/53/847314353.db2.gz NXGLUEVQIJUGFS-WMLDXEAASA-N 0 0 391.562 3.950 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c2ccccc21 ZINC000329618284 861783848 /nfs/dbraw/zinc/78/38/48/861783848.db2.gz LXPPMZPCMZYJKK-VQIMIIECSA-N 0 0 396.491 3.787 10 0 GHAERN O=C(c1csc([C@H]2CCCO2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000153555908 848648411 /nfs/dbraw/zinc/64/84/11/848648411.db2.gz NQGCSQDQCXEGRM-QGZVFWFLSA-N 0 0 375.469 3.850 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000153626548 848790001 /nfs/dbraw/zinc/79/00/01/848790001.db2.gz BPRVMWUNTCKYFQ-ZFWWWQNUSA-N 0 0 381.432 3.550 10 0 GHAERN CC(C)(C(N)=O)c1ccc(NC(=O)N2CCSC3(CCCCC3)C2)cc1 ZINC000079805983 849311126 /nfs/dbraw/zinc/31/11/26/849311126.db2.gz GYWCCVZHDMQUQN-UHFFFAOYSA-N 0 0 375.538 3.733 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@@H]2CCCc3c2cnn3C)cc(Cl)c1OC ZINC000154633863 849339357 /nfs/dbraw/zinc/33/93/57/849339357.db2.gz CLAOHUCXTRZKED-ROJDOSBLSA-N 0 0 389.883 3.640 10 0 GHAERN Cc1cc(SC2CCCCC2)ccc1NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000154835965 849386772 /nfs/dbraw/zinc/38/67/72/849386772.db2.gz SBQABPOWAFDEET-MRXNPFEDSA-N 0 0 389.565 3.556 10 0 GHAERN CCc1ccc(-c2csc(NC(=O)Cn3cnc4ccccc4c3=O)n2)cc1 ZINC000003554833 850979610 /nfs/dbraw/zinc/97/96/10/850979610.db2.gz QSHLZTSWSYNDMM-UHFFFAOYSA-N 0 0 390.468 3.721 10 0 GHAERN COc1c(C)cc(CN(C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1C ZINC000101566437 851665411 /nfs/dbraw/zinc/66/54/11/851665411.db2.gz NTLVVAWMPLLUND-UHFFFAOYSA-N 0 0 383.517 3.731 10 0 GHAERN O=C(CSCc1coc(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000101584996 851693505 /nfs/dbraw/zinc/69/35/05/851693505.db2.gz PAIBQQOWRLKOAA-QZTJIDSGSA-N 0 0 390.480 3.884 10 0 GHAERN C[C@@H](Sc1ccc(Br)cc1)c1nc([C@H]2CC(=O)N(C)C2)no1 ZINC000329734081 862274136 /nfs/dbraw/zinc/27/41/36/862274136.db2.gz RCSYTZWPNVOQQP-ZJUUUORDSA-N 0 0 382.283 3.631 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)C2 ZINC000121063145 851795538 /nfs/dbraw/zinc/79/55/38/851795538.db2.gz ZFTSDUYMFOLUPF-MRXNPFEDSA-N 0 0 382.508 3.914 10 0 GHAERN O=C(CC1CCCCC1)NCCNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000101776492 851899462 /nfs/dbraw/zinc/89/94/62/851899462.db2.gz HSFRYCUZOXOARK-NRFANRHFSA-N 0 0 383.492 3.755 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCc2cccc3ccccc32)CC1 ZINC000102009231 852087681 /nfs/dbraw/zinc/08/76/81/852087681.db2.gz WZIQMUXZSCWXGC-KRWDZBQOSA-N 0 0 381.520 3.922 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980206 853268399 /nfs/dbraw/zinc/26/83/99/853268399.db2.gz IFWIFNKLASSBMO-DOXZYTNZSA-N 0 0 395.341 3.712 10 0 GHAERN CN(C(=O)N[C@H](c1ccccc1)C1CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246843127 853304616 /nfs/dbraw/zinc/30/46/16/853304616.db2.gz UYXDTXLGPWXXIZ-TZIWHRDSSA-N 0 0 379.508 3.628 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](c2cccs2)C1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334077635 853962668 /nfs/dbraw/zinc/96/26/68/853962668.db2.gz KFNITKRDDNSWLP-XMTFNYHQSA-N 0 0 378.538 3.551 10 0 GHAERN CC(C)(C(=O)NCC(=O)Nc1cccc(F)c1)c1cccc(Br)c1 ZINC000102247798 854249989 /nfs/dbraw/zinc/24/99/89/854249989.db2.gz GIORFSQLZDMUMY-UHFFFAOYSA-N 0 0 393.256 3.621 10 0 GHAERN CC(C)n1cc(S(=O)(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)cn1 ZINC000122971038 854317796 /nfs/dbraw/zinc/31/77/96/854317796.db2.gz PHKZSBWNBISEAU-QGZVFWFLSA-N 0 0 375.494 3.579 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[nH]1 ZINC000328763031 854532424 /nfs/dbraw/zinc/53/24/24/854532424.db2.gz ZELJLTVVQULPGL-KFWWJZLASA-N 0 0 394.397 3.869 10 0 GHAERN C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)C1 ZINC000328768954 854534999 /nfs/dbraw/zinc/53/49/99/854534999.db2.gz QMFVYEBDESSGER-PJVZLEMVSA-N 0 0 390.572 3.858 10 0 GHAERN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000124937687 854651464 /nfs/dbraw/zinc/65/14/64/854651464.db2.gz PKPQUHBXBYEZKF-LSDHHAIUSA-N 0 0 380.558 3.678 10 0 GHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000180338311 855455104 /nfs/dbraw/zinc/45/51/04/855455104.db2.gz HWYGUBRLYOBNEA-MEDUHNTESA-N 0 0 377.286 3.573 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)C1 ZINC000192380202 855796474 /nfs/dbraw/zinc/79/64/74/855796474.db2.gz QDBZFIFRFPKWSC-IAOVAPTHSA-N 0 0 392.887 3.900 10 0 GHAERN Cc1nc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc2ccccc12 ZINC000102929533 855974141 /nfs/dbraw/zinc/97/41/41/855974141.db2.gz ZCXACVJNTCKELT-UHFFFAOYSA-N 0 0 398.869 3.689 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N(Cc1ccco1)Cc1ccco1 ZINC000030471880 856107446 /nfs/dbraw/zinc/10/74/46/856107446.db2.gz QCODMGBDPIWWKO-GOSISDBHSA-N 0 0 382.441 3.905 10 0 GHAERN O=C(NC[C@@H]1CCCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000030894831 856130173 /nfs/dbraw/zinc/13/01/73/856130173.db2.gz LGBUEVQEVOANFI-FQEVSTJZSA-N 0 0 394.490 3.914 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(-n2ccnc2)c1 ZINC000185778044 856426518 /nfs/dbraw/zinc/42/65/18/856426518.db2.gz YECYWIGUCHFFFS-SBUREZEXSA-N 0 0 388.471 3.774 10 0 GHAERN COc1cc(C2(C(=O)N[C@H]3CCc4nc(C(C)C)nn4C3)CCCC2)ccc1C ZINC000133857395 858820346 /nfs/dbraw/zinc/82/03/46/858820346.db2.gz MFWUNFFSZXHPRQ-SFHVURJKSA-N 0 0 396.535 3.662 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000184894179 859017121 /nfs/dbraw/zinc/01/71/21/859017121.db2.gz MXLDLJCOTRONMK-PKOBYXMFSA-N 0 0 384.501 3.528 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N2CCC([C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000252038410 859881194 /nfs/dbraw/zinc/88/11/94/859881194.db2.gz YXKSBIOBRAXGJY-LLGFUMIMSA-N 0 0 387.524 3.723 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)NCc2ccnc(OC3CCCCC3)c2)cn1 ZINC000171469306 860425868 /nfs/dbraw/zinc/42/58/68/860425868.db2.gz RVQCBBGWNXPTJG-IBGZPJMESA-N 0 0 383.496 3.573 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000172352903 860433058 /nfs/dbraw/zinc/43/30/58/860433058.db2.gz RBCQYXCTYAVLCV-APWZRJJASA-N 0 0 382.435 3.954 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)C2)n1 ZINC000173070587 860435928 /nfs/dbraw/zinc/43/59/28/860435928.db2.gz CYJULYLSGBQJOX-AZUAARDMSA-N 0 0 397.544 3.911 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(-c2nccs2)cc1 ZINC000103567896 881564336 /nfs/dbraw/zinc/56/43/36/881564336.db2.gz CIYUKWUQADZKES-UHFFFAOYSA-N 0 0 376.482 3.846 10 0 GHAERN COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)c1cc2c(s1)CCOC2 ZINC000102993511 860888034 /nfs/dbraw/zinc/88/80/34/860888034.db2.gz YUBYUUNLEKGKJP-UHFFFAOYSA-N 0 0 385.363 3.879 10 0 GHAERN CC(C)[C@H](c1ccc2c(c1)OCCO2)N1C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C1=O ZINC000329220458 861161940 /nfs/dbraw/zinc/16/19/40/861161940.db2.gz BJNFIEJWNWXXHL-DFYYWFRZSA-N 0 0 384.476 3.750 10 0 GHAERN CN(C(=O)N[C@@H]1c2ccccc2CCC1(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000153034577 863128437 /nfs/dbraw/zinc/12/84/37/863128437.db2.gz MANCJNJBMDATSG-WIYYLYMNSA-N 0 0 393.535 3.801 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 ZINC000173301243 863681004 /nfs/dbraw/zinc/68/10/04/863681004.db2.gz GYXCHBWKGHYSBI-SFHVURJKSA-N 0 0 388.489 3.779 10 0 GHAERN COc1ccc(CNC(=O)NCCc2c[nH]c3cccc(C)c23)c(OC)c1OC ZINC000103179236 863901884 /nfs/dbraw/zinc/90/18/84/863901884.db2.gz GVUQAYDXJGRVMT-UHFFFAOYSA-N 0 0 397.475 3.544 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000103294285 863943435 /nfs/dbraw/zinc/94/34/35/863943435.db2.gz GDEVCHSXTYUTPU-LBPRGKRZSA-N 0 0 381.436 3.680 10 0 GHAERN O=C(COc1ccc(-c2noc([C@@H]3CCCO3)n2)cc1)Nc1ccccc1F ZINC000103352302 863968768 /nfs/dbraw/zinc/96/87/68/863968768.db2.gz PZGGENZKZQLFDL-KRWDZBQOSA-N 0 0 383.379 3.745 10 0 GHAERN Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103445778 863986740 /nfs/dbraw/zinc/98/67/40/863986740.db2.gz HLGRWQRVBWIUGH-LBPRGKRZSA-N 0 0 398.575 3.695 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000103412427 864014466 /nfs/dbraw/zinc/01/44/66/864014466.db2.gz AJJJEPYLCOMUAN-NSHDSACASA-N 0 0 381.548 3.738 10 0 GHAERN C[C@H](c1ccc(F)cc1F)N1CCN(Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000103494264 864038001 /nfs/dbraw/zinc/03/80/01/864038001.db2.gz MORAPCHRSWDHQP-MRXNPFEDSA-N 0 0 397.473 3.639 10 0 GHAERN COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc(SC(C)C)cc2)cc1 ZINC000103526002 864050843 /nfs/dbraw/zinc/05/08/43/864050843.db2.gz SBPBBNNZJFDSLZ-OAHLLOKOSA-N 0 0 386.517 3.803 10 0 GHAERN Cc1cc(C)cc(-n2ccnc2S(=O)(=O)[C@H](C)c2nc(C(C)(C)C)no2)c1 ZINC000103621339 864051678 /nfs/dbraw/zinc/05/16/78/864051678.db2.gz DWHBLBUGOMKPHE-CQSZACIVSA-N 0 0 388.493 3.705 10 0 GHAERN CC[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cccc(Cl)c1 ZINC000103749892 864081069 /nfs/dbraw/zinc/08/10/69/864081069.db2.gz RWVQXRIOSCQGAG-MRXNPFEDSA-N 0 0 376.247 3.850 10 0 GHAERN Cc1cc(-c2cc(C(=O)NCc3ccnn3C)c3c(C)noc3n2)c(C)s1 ZINC000104244388 864222266 /nfs/dbraw/zinc/22/22/66/864222266.db2.gz KJZVTZOHBJFEHN-UHFFFAOYSA-N 0 0 381.461 3.540 10 0 GHAERN O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(-n2cccc2)c(F)c1 ZINC000104326040 864279559 /nfs/dbraw/zinc/27/95/59/864279559.db2.gz LXIATNOYAPXQAM-UHFFFAOYSA-N 0 0 391.402 3.518 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000248405166 864769666 /nfs/dbraw/zinc/76/96/66/864769666.db2.gz ANICNUJLBAQSEA-MGPQQGTHSA-N 0 0 385.434 3.692 10 0 GHAERN O=C(c1cccnc1N1CCC(Nc2ccccc2F)CC1)N1CCCCC1 ZINC000301434946 865360717 /nfs/dbraw/zinc/36/07/17/865360717.db2.gz RUEFHFQHJJSDFS-UHFFFAOYSA-N 0 0 382.483 3.928 10 0 GHAERN CC(=O)N1CC[C@@H](Nc2cc(N3CCCCC3)ncn2)c2ccc(F)cc2C1 ZINC000302184577 865754413 /nfs/dbraw/zinc/75/44/13/865754413.db2.gz GUEZSLUJZJIUQC-LJQANCHMSA-N 0 0 383.471 3.511 10 0 GHAERN CN1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179304606 865805642 /nfs/dbraw/zinc/80/56/42/865805642.db2.gz XXSATFQIOJBFPG-HBFSDRIKSA-N 0 0 387.430 3.533 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000249380953 866644834 /nfs/dbraw/zinc/64/48/34/866644834.db2.gz QRAJOEPLZQNXHG-JZXOWHBKSA-N 0 0 381.476 3.946 10 0 GHAERN Cc1nc(CN2CCC(CNc3cc(N4CCC[C@@H](C)C4)ncn3)CC2)oc1C ZINC000110603492 866648180 /nfs/dbraw/zinc/64/81/80/866648180.db2.gz KYESSMCNFTVOSU-MRXNPFEDSA-N 0 0 398.555 3.642 10 0 GHAERN O=c1c(Cl)c(N2CC[C@]3(O)CCCC[C@@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000151063780 866677551 /nfs/dbraw/zinc/67/75/51/866677551.db2.gz SHLAPRXKIMTDHJ-BFUOFWGJSA-N 0 0 394.302 3.671 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)N[C@H](C)c3cc4ccccc4o3)CC2)s1 ZINC000111805755 866704658 /nfs/dbraw/zinc/70/46/58/866704658.db2.gz AAOPRGNKDDOAST-CQSZACIVSA-N 0 0 384.505 3.786 10 0 GHAERN CC(C)[C@H](C)CC(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000112678829 866736215 /nfs/dbraw/zinc/73/62/15/866736215.db2.gz UYBKZAGFLQITFO-HUUCEWRRSA-N 0 0 376.526 3.686 10 0 GHAERN Cc1noc([C@H](C)N2CCN(C(=O)N[C@H](C)CCC3CCCCC3)CC2)n1 ZINC000115848281 866786064 /nfs/dbraw/zinc/78/60/64/866786064.db2.gz OAVWIYHANAPTEX-CVEARBPZSA-N 0 0 377.533 3.515 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(O)c2)CC1)c1ccc(Cl)cc1Cl ZINC000169900111 882029586 /nfs/dbraw/zinc/02/95/86/882029586.db2.gz XTZAAOBJZQIBBC-UHFFFAOYSA-N 0 0 393.270 3.734 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000170818400 882058081 /nfs/dbraw/zinc/05/80/81/882058081.db2.gz JQORTPYJSSKHIG-OALUTQOASA-N 0 0 377.492 3.640 10 0 GHAERN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151284996 867252095 /nfs/dbraw/zinc/25/20/95/867252095.db2.gz BWXZLEASQDLSNJ-XOBRGWDASA-N 0 0 378.538 3.808 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N[C@H](c1ccccc1)c1cccnc1 ZINC000170884371 882063430 /nfs/dbraw/zinc/06/34/30/882063430.db2.gz AUJXEOYRRMMHRN-TZIWHRDSSA-N 0 0 386.455 3.596 10 0 GHAERN Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)C(C)C ZINC000170891066 882067711 /nfs/dbraw/zinc/06/77/11/882067711.db2.gz VKTIOXBUYFESCA-WMZOPIPTSA-N 0 0 385.533 3.612 10 0 GHAERN CCC(=O)c1ccc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000015304422 867526599 /nfs/dbraw/zinc/52/65/99/867526599.db2.gz WGLKIKAQYULDBC-UHFFFAOYSA-N 0 0 383.419 3.876 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000171779527 882159982 /nfs/dbraw/zinc/15/99/82/882159982.db2.gz KCAUYBVZGGHDOR-LPHOPBHVSA-N 0 0 394.475 3.600 10 0 GHAERN Cc1c(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)oc2ccccc12 ZINC000172154653 882173432 /nfs/dbraw/zinc/17/34/32/882173432.db2.gz VFRKZEDJBXYONY-INIZCTEOSA-N 0 0 389.459 3.873 10 0 GHAERN Cc1cccnc1[C@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C(C)C ZINC000172157215 882174479 /nfs/dbraw/zinc/17/44/79/882174479.db2.gz YZPBFRHVXLYBNE-PKOBYXMFSA-N 0 0 392.507 3.719 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000172465629 882279299 /nfs/dbraw/zinc/27/92/99/882279299.db2.gz ZCTVZFRRIUHSEM-LEWJYISDSA-N 0 0 390.487 3.835 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 ZINC000172461657 882277837 /nfs/dbraw/zinc/27/78/37/882277837.db2.gz SXRHJQGNVLZNGS-AWEZNQCLSA-N 0 0 388.508 3.795 10 0 GHAERN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000172464371 882278674 /nfs/dbraw/zinc/27/86/74/882278674.db2.gz CFWKCNVHEZXRBK-SFTDATJTSA-N 0 0 387.439 3.719 10 0 GHAERN CC(C)C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1 ZINC000172690498 882284735 /nfs/dbraw/zinc/28/47/35/882284735.db2.gz PSXYHPWUWBMKJC-NRFANRHFSA-N 0 0 379.504 3.837 10 0 GHAERN CCc1ccc([C@H]2CCCCCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000172473314 882287582 /nfs/dbraw/zinc/28/75/82/882287582.db2.gz ATCNNZANOYNVLX-GOSISDBHSA-N 0 0 394.479 3.645 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172495379 882289525 /nfs/dbraw/zinc/28/95/25/882289525.db2.gz WWIRQVGJELPRRH-WOJBJXKFSA-N 0 0 389.503 3.640 10 0 GHAERN CC(C)C[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000172520086 882292976 /nfs/dbraw/zinc/29/29/76/882292976.db2.gz LZFKTBKPTIRBSI-FQEVSTJZSA-N 0 0 384.524 3.552 10 0 GHAERN O=C(N[C@H]1CCSc2c(F)cccc21)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172707395 882300416 /nfs/dbraw/zinc/30/04/16/882300416.db2.gz DXUAUBSROAVQLV-ZWKOTPCHSA-N 0 0 399.491 3.569 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000172755903 882305942 /nfs/dbraw/zinc/30/59/42/882305942.db2.gz SPDVCYVXLJXEBE-QGZVFWFLSA-N 0 0 395.503 3.552 10 0 GHAERN CNC(=O)c1ccc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000172838101 882312669 /nfs/dbraw/zinc/31/26/69/882312669.db2.gz ITGZRRIEJSMDLR-AREMUKBSSA-N 0 0 388.876 3.804 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc4cc(F)ccc4oc3=O)C2)cc1 ZINC000173082416 882319354 /nfs/dbraw/zinc/31/93/54/882319354.db2.gz AXSQHCFLOYSAOG-CZUORRHYSA-N 0 0 381.403 3.959 10 0 GHAERN CC(C)(C)C(=O)NCc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000172911845 882323261 /nfs/dbraw/zinc/32/32/61/882323261.db2.gz JWPGHTWZHBSIBH-UHFFFAOYSA-N 0 0 393.531 3.839 10 0 GHAERN Cc1ccc(C)c(N(C(=O)C2CCN(C(=O)c3ccccn3)CC2)C(C)C)c1 ZINC000172944399 882324852 /nfs/dbraw/zinc/32/48/52/882324852.db2.gz PAHVYSUICXWDNV-UHFFFAOYSA-N 0 0 379.504 3.992 10 0 GHAERN Cc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173173443 882338640 /nfs/dbraw/zinc/33/86/40/882338640.db2.gz UYMRTJPCDHEGGM-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173378852 882357683 /nfs/dbraw/zinc/35/76/83/882357683.db2.gz UABFYDBDUMUNIS-UHFFFAOYSA-N 0 0 382.508 3.599 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1)c1ccncc1 ZINC000114782254 870177891 /nfs/dbraw/zinc/17/78/91/870177891.db2.gz XNBHIZKBRRCBKO-GFCCVEGCSA-N 0 0 391.393 3.864 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cs1 ZINC000187068195 870247638 /nfs/dbraw/zinc/24/76/38/870247638.db2.gz PUTUQYOHRJHMLT-GUYCJALGSA-N 0 0 389.908 3.822 10 0 GHAERN Cc1nc([C@@H]2CCCN2Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cs1 ZINC000189921231 870315236 /nfs/dbraw/zinc/31/52/36/870315236.db2.gz YRGBMUUXOHXRMV-KRWDZBQOSA-N 0 0 382.489 3.950 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)n1 ZINC000173798820 882405173 /nfs/dbraw/zinc/40/51/73/882405173.db2.gz WDKBHRLYOQLZED-UHFFFAOYSA-N 0 0 378.451 3.923 10 0 GHAERN O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000056489431 870583369 /nfs/dbraw/zinc/58/33/69/870583369.db2.gz MNEYPXQLCQNOGI-LAUBAEHRSA-N 0 0 380.444 3.732 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc1)C1CC1 ZINC000174085710 882423892 /nfs/dbraw/zinc/42/38/92/882423892.db2.gz VQWGCTMDNSSMIL-UHFFFAOYSA-N 0 0 381.451 3.891 10 0 GHAERN O=C(Nc1cccc(N2CCCNC2=O)c1)N1CC=C(c2ccccc2)CC1 ZINC000174185373 882433486 /nfs/dbraw/zinc/43/34/86/882433486.db2.gz QIRGVQWWDXNYAC-UHFFFAOYSA-N 0 0 376.460 3.928 10 0 GHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3cccs3)CC2)C1 ZINC000174364481 882456808 /nfs/dbraw/zinc/45/68/08/882456808.db2.gz HBYMTCJSDJKSRS-HZPDHXFCSA-N 0 0 380.579 3.733 10 0 GHAERN O=C(Cc1csc(-c2cccc(F)c2)n1)NCC1CCC2(CC1)OCCO2 ZINC000174442908 882469136 /nfs/dbraw/zinc/46/91/36/882469136.db2.gz FXEBOQHKRAXGKV-UHFFFAOYSA-N 0 0 390.480 3.541 10 0 GHAERN COc1cccc(F)c1[C@H](C)NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000174483987 882470981 /nfs/dbraw/zinc/47/09/81/882470981.db2.gz DKNZSOZILOISJS-ZDUSSCGKSA-N 0 0 390.480 3.625 10 0 GHAERN Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1ncncc1Cl ZINC000175155367 882529856 /nfs/dbraw/zinc/52/98/56/882529856.db2.gz YDCOLKIEKKHULK-BETUJISGSA-N 0 0 386.883 3.809 10 0 GHAERN Cc1onc2c1c(-c1ccccc1)nn(CN(C)Cc1ccc(F)cc1)c2=O ZINC000101535445 872072100 /nfs/dbraw/zinc/07/21/00/872072100.db2.gz FPGCZYLSTKDBJU-UHFFFAOYSA-N 0 0 378.407 3.589 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(F)c1 ZINC000175722712 882577689 /nfs/dbraw/zinc/57/76/89/882577689.db2.gz SIBQQMOCVDRLPE-SFHVURJKSA-N 0 0 385.487 3.671 10 0 GHAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N(C)Cc1ccccc1-c1ccccc1 ZINC000101579687 872112988 /nfs/dbraw/zinc/11/29/88/872112988.db2.gz IHMWTTDGDSTQBY-UHFFFAOYSA-N 0 0 389.908 3.870 10 0 GHAERN CNC(=O)[C@H]1CCCN(C(=O)N[C@@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000114935600 872114050 /nfs/dbraw/zinc/11/40/50/872114050.db2.gz APQITABHMSHEMX-WMLDXEAASA-N 0 0 391.924 3.659 10 0 GHAERN Cc1cc(-c2noc(CCC(=O)N[C@H]3CCO[C@@H]3c3ccccc3)n2)ccc1F ZINC000175600995 882602027 /nfs/dbraw/zinc/60/20/27/882602027.db2.gz GIYBARYRGULXRW-GHTZIAJQSA-N 0 0 395.434 3.763 10 0 GHAERN CC(C)c1nn(CN2CCN(Cc3ccc(Cl)s3)CC2)c(=S)n1C ZINC000101901878 872353708 /nfs/dbraw/zinc/35/37/08/872353708.db2.gz KTLPOZDXLQDHLC-UHFFFAOYSA-N 0 0 385.990 3.565 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)N2CCC(OCC3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000175616821 882605767 /nfs/dbraw/zinc/60/57/67/882605767.db2.gz AOUQXHNASZFMBB-GMAHTHKFSA-N 0 0 398.547 3.794 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)NCc1cccc2cccnc21 ZINC000101990862 872460383 /nfs/dbraw/zinc/46/03/83/872460383.db2.gz WDZNZHICDOVMKC-UHFFFAOYSA-N 0 0 388.471 3.751 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1noc(Cc2ccccc2)n1 ZINC000175739828 882619418 /nfs/dbraw/zinc/61/94/18/882619418.db2.gz BBCXHNYYPTYFNR-HOCLYGCPSA-N 0 0 397.504 3.767 10 0 GHAERN CN(C(=O)Cc1ccc(NC(=O)[C@@H]2CCCn3ccnc32)cc1)c1ccccc1 ZINC000176071741 882662884 /nfs/dbraw/zinc/66/28/84/882662884.db2.gz YLXKUUXBGCJDPW-HXUWFJFHSA-N 0 0 388.471 3.605 10 0 GHAERN COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCCn3ccnc32)cc1 ZINC000176275795 882672657 /nfs/dbraw/zinc/67/26/57/882672657.db2.gz CGPGLTOETMWHPQ-SFHVURJKSA-N 0 0 377.444 3.878 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)on1 ZINC000102744429 873526214 /nfs/dbraw/zinc/52/62/14/873526214.db2.gz OGFWKAVINCFZLP-RYUDHWBXSA-N 0 0 383.370 3.868 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCO[C@@H](c3ccco3)C2)cc(Cl)c1OC ZINC000176833042 882739520 /nfs/dbraw/zinc/73/95/20/882739520.db2.gz GVGSVGBOCJOYDN-FUTAKVPZSA-N 0 0 377.824 3.564 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3ccc(Br)s3)CC2)n1 ZINC000116668494 873614356 /nfs/dbraw/zinc/61/43/56/873614356.db2.gz GTWBYFSPWBRIOQ-UHFFFAOYSA-N 0 0 394.338 3.542 10 0 GHAERN Cc1cccc(-c2nnc(COC(=O)c3cccc(NC(=O)[C@@H]4C[C@H]4C)c3)o2)c1 ZINC000102841487 873710968 /nfs/dbraw/zinc/71/09/68/873710968.db2.gz YGGAGBVZPFRUBL-RDTXWAMCSA-N 0 0 391.427 3.997 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)[C@H](C)c1ccccc1 ZINC000177175898 882770191 /nfs/dbraw/zinc/77/01/91/882770191.db2.gz FAYPSGVKEYVFLL-DLBZAZTESA-N 0 0 382.479 3.986 10 0 GHAERN O=S(=O)(c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1)C(F)F ZINC000102950512 873910770 /nfs/dbraw/zinc/91/07/70/873910770.db2.gz GXLNTAHXAGCTCL-MRXNPFEDSA-N 0 0 395.427 3.749 10 0 GHAERN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000004305660 874215201 /nfs/dbraw/zinc/21/52/01/874215201.db2.gz NBIQDQPKWAWOBP-HSZRJFAPSA-N 0 0 376.456 3.605 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(CC(F)(F)F)C2CCCC2)CC1 ZINC000177528917 882811890 /nfs/dbraw/zinc/81/18/90/882811890.db2.gz XWFYCCMQPPCPJN-UHFFFAOYSA-N 0 0 388.455 3.934 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC=C(c2cccs2)CC1 ZINC000118043233 874318922 /nfs/dbraw/zinc/31/89/22/874318922.db2.gz KTBNXECYXOAAHS-UHFFFAOYSA-N 0 0 381.457 3.723 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)CCC3)c2ccccc2)[nH]1 ZINC000177309848 882819325 /nfs/dbraw/zinc/81/93/25/882819325.db2.gz LTKPYECAIDXFQC-IBGZPJMESA-N 0 0 375.432 3.543 10 0 GHAERN CC[C@H](OC1CCCCC1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177761092 882823088 /nfs/dbraw/zinc/82/30/88/882823088.db2.gz WTDCWEDZGRKPEV-FQEVSTJZSA-N 0 0 378.557 3.756 10 0 GHAERN COc1ccc(-c2nn(CN(C)CCc3ccccc3OC)c(=S)n2C)cc1 ZINC000104653835 874611231 /nfs/dbraw/zinc/61/12/31/874611231.db2.gz GYJFDZHMXLFVKP-UHFFFAOYSA-N 0 0 398.532 3.767 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@H](Oc2cccnc2)C1 ZINC000119279786 875046739 /nfs/dbraw/zinc/04/67/39/875046739.db2.gz ZCSNKIRZUDBPAM-LBPRGKRZSA-N 0 0 398.207 3.808 10 0 GHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673448 882931397 /nfs/dbraw/zinc/93/13/97/882931397.db2.gz ICIKSWISKNKKBK-RYUDHWBXSA-N 0 0 384.427 3.642 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3cc4sc(N(C)C)nc4s3)CCO2)o1 ZINC000178896802 882963118 /nfs/dbraw/zinc/96/31/18/882963118.db2.gz FSZWMCTWNIDSEX-LBPRGKRZSA-N 0 0 377.491 3.539 10 0 GHAERN COc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)ccc1Cl ZINC000179358829 882964185 /nfs/dbraw/zinc/96/41/85/882964185.db2.gz HURZVVNTVAHCCA-UHFFFAOYSA-N 0 0 378.900 3.603 10 0 GHAERN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CC=C(c2cccs2)CC1 ZINC000179291600 882986432 /nfs/dbraw/zinc/98/64/32/882986432.db2.gz RYAAJWBPVINKMV-GOSISDBHSA-N 0 0 395.528 3.596 10 0 GHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000179301894 882987818 /nfs/dbraw/zinc/98/78/18/882987818.db2.gz DSGCGIUCQGBRPX-KBXCAEBGSA-N 0 0 383.879 3.504 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000120813075 876309712 /nfs/dbraw/zinc/30/97/12/876309712.db2.gz YOPZADGERGYDLB-ZBZNSMLMSA-N 0 0 396.491 3.509 10 0 GHAERN C[C@@H](N[C@@H](C)c1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179814665 883029807 /nfs/dbraw/zinc/02/98/07/883029807.db2.gz OIFBRDLGMMNPJZ-OLZOCXBDSA-N 0 0 389.452 3.691 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N(C)c3c(Cl)cccc3Cl)CC2)n1 ZINC000180899936 883106809 /nfs/dbraw/zinc/10/68/09/883106809.db2.gz PAPXYBKYKKRKLO-UHFFFAOYSA-N 0 0 395.290 3.671 10 0 GHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)o1 ZINC000175134975 878327836 /nfs/dbraw/zinc/32/78/36/878327836.db2.gz DPAPKUCKRKJJAP-OIISXLGYSA-N 0 0 385.512 3.801 10 0 GHAERN COc1cccc(-c2noc(CS(=O)(=O)Cc3ccc(F)cc3Cl)n2)c1 ZINC000122192195 878422820 /nfs/dbraw/zinc/42/28/20/878422820.db2.gz LJQYSVKYRWPAFR-UHFFFAOYSA-N 0 0 396.827 3.653 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000122549688 879066151 /nfs/dbraw/zinc/06/61/51/879066151.db2.gz DEVYOQPOEWXHCC-KXBFYZLASA-N 0 0 381.476 3.741 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3[C@@H]3CCCC[C@]3(C)O)cc2NC1=O ZINC000285663895 879582417 /nfs/dbraw/zinc/58/24/17/879582417.db2.gz VBGNGJQLASBQBG-PDVSYCDBSA-N 0 0 388.533 3.665 10 0 GHAERN Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000103497449 881229088 /nfs/dbraw/zinc/22/90/88/881229088.db2.gz UEUPFBZLJVZTDY-NSHDSACASA-N 0 0 387.958 3.922 10 0 GHAERN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(C(=O)c3cccs3)CC1)[C@H](C)C2 ZINC000181254280 883130419 /nfs/dbraw/zinc/13/04/19/883130419.db2.gz HANUNIURFLMKSZ-FOIQADDNSA-N 0 0 382.529 3.958 10 0 GHAERN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(C(=O)c3cccs3)CC1)[C@@H](C)C2 ZINC000181254335 883130506 /nfs/dbraw/zinc/13/05/06/883130506.db2.gz HANUNIURFLMKSZ-YWZLYKJASA-N 0 0 382.529 3.958 10 0 GHAERN O=C(CCCc1csc2ccccc12)N1CCC(c2ccnn2CCO)CC1 ZINC000181918125 883191751 /nfs/dbraw/zinc/19/17/51/883191751.db2.gz UUYUJOYJEIVCLT-UHFFFAOYSA-N 0 0 397.544 3.819 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)C[C@H](C)c2nccs2)c2ccccc2F)no1 ZINC000182026415 883200795 /nfs/dbraw/zinc/20/07/95/883200795.db2.gz RLEIIAPAMWZNFW-XHDPSFHLSA-N 0 0 389.456 3.508 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccc(OC)c(OC)c3)cc2)CCC(=O)NC1=O ZINC000182737373 883233999 /nfs/dbraw/zinc/23/39/99/883233999.db2.gz WDESWXLXXFUKGT-IQMFZBJNSA-N 0 0 396.487 3.961 10 0 GHAERN Cc1ccc(-c2ccc(C(=O)N3CCC[C@H]([C@H](O)c4nccn4C)C3)s2)o1 ZINC000183293559 883276657 /nfs/dbraw/zinc/27/66/57/883276657.db2.gz LZDADVFCKLDLAY-KSSFIOAISA-N 0 0 385.489 3.636 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C)c2ccc(F)cc2C1 ZINC000184009916 883296663 /nfs/dbraw/zinc/29/66/63/883296663.db2.gz JYSPYBRGQZNWFV-NYHFZMIOSA-N 0 0 395.478 3.948 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H](n3cc(C)cn3)C2)c1C ZINC000184010753 883296864 /nfs/dbraw/zinc/29/68/64/883296864.db2.gz BJRPTTNWJFWWDH-CQSZACIVSA-N 0 0 390.871 3.809 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCC[C@@H]2C2CCCC2)c2ccc(F)cc2C1 ZINC000184011110 883298449 /nfs/dbraw/zinc/29/84/49/883298449.db2.gz GPNQFPRVLOWGMJ-LEWJYISDSA-N 0 0 387.499 3.983 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H](C)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184038438 883303160 /nfs/dbraw/zinc/30/31/60/883303160.db2.gz GEUXPYLFYVIXPP-QVKFZJNVSA-N 0 0 383.467 3.988 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)CC1 ZINC000183813940 883304172 /nfs/dbraw/zinc/30/41/72/883304172.db2.gz ZFUURIPWHQZCGC-HNNXBMFYSA-N 0 0 394.496 3.707 10 0 GHAERN Cc1cc(C)n(-c2cccc(NC(=O)N3CCCN(c4ccccn4)CC3)c2)n1 ZINC000184077600 883315598 /nfs/dbraw/zinc/31/55/98/883315598.db2.gz BWMWZWBCNLLHRG-UHFFFAOYSA-N 0 0 390.491 3.628 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000184052684 883330766 /nfs/dbraw/zinc/33/07/66/883330766.db2.gz ZLBIBNCBENMPCO-OAHLLOKOSA-N 0 0 376.844 3.538 10 0 GHAERN Cn1cc(CNC(=O)N2CCC[C@H](c3nccs3)C2)c(-c2ccccc2)n1 ZINC000184065525 883332358 /nfs/dbraw/zinc/33/23/58/883332358.db2.gz BGLZQLQZUNTJCK-INIZCTEOSA-N 0 0 381.505 3.633 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCSC[C@@H]2c2nccs2)n1 ZINC000184544389 883356025 /nfs/dbraw/zinc/35/60/25/883356025.db2.gz CDGSHAFVRZRBOP-GFCCVEGCSA-N 0 0 386.493 3.864 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000184826981 883384779 /nfs/dbraw/zinc/38/47/79/883384779.db2.gz HMHHEDNCQXCDDK-FQEVSTJZSA-N 0 0 384.455 3.507 10 0 GHAERN COC(=O)[C@H](C)CN(Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515422 883507638 /nfs/dbraw/zinc/50/76/38/883507638.db2.gz BAAHSJNVMWNUMG-MRXNPFEDSA-N 0 0 395.459 3.557 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(-n4cccn4)cc3)C2)c1 ZINC000102527081 883514768 /nfs/dbraw/zinc/51/47/68/883514768.db2.gz MAWPTHNITOGAJL-KRWDZBQOSA-N 0 0 391.475 3.529 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc4nc(C)oc4c3)C2)c1 ZINC000102527337 883514908 /nfs/dbraw/zinc/51/49/08/883514908.db2.gz ZENPIFQXAPHTII-HNNXBMFYSA-N 0 0 380.448 3.793 10 0 GHAERN COc1cc(Cl)ccc1C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185505053 883547481 /nfs/dbraw/zinc/54/74/81/883547481.db2.gz PGAUFCCSEPWPSW-SFHVURJKSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2cn(C)c3ccccc23)c2ccc(F)cc2C1 ZINC000185541415 883554154 /nfs/dbraw/zinc/55/41/54/883554154.db2.gz NEIKOBAYHKRMHK-FQEVSTJZSA-N 0 0 379.435 3.541 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCc2cc(F)ccc2F)c2ccc(F)cc2C1 ZINC000185554955 883555825 /nfs/dbraw/zinc/55/58/25/883555825.db2.gz CTALBGVRVAUCGF-FQEVSTJZSA-N 0 0 390.405 3.646 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185564751 883557992 /nfs/dbraw/zinc/55/79/92/883557992.db2.gz YOQBYRFGKDFICL-SZNDQCEHSA-N 0 0 386.442 3.753 10 0 GHAERN CSc1nccn1-c1ccc(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000185925891 883590076 /nfs/dbraw/zinc/59/00/76/883590076.db2.gz UJAUPOGLNDAFQH-UHFFFAOYSA-N 0 0 393.472 3.824 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(COc4ccccc4F)on3)CCO2)o1 ZINC000185943864 883591577 /nfs/dbraw/zinc/59/15/77/883591577.db2.gz NIERDAMKNVHYFG-LJQANCHMSA-N 0 0 386.379 3.508 10 0 GHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186582837 883666038 /nfs/dbraw/zinc/66/60/38/883666038.db2.gz BKLSEOLTICEPFR-UHFFFAOYSA-N 0 0 390.447 3.718 10 0 GHAERN CN1Cc2cc(NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)ccc2NC1=O ZINC000186626366 883677510 /nfs/dbraw/zinc/67/75/10/883677510.db2.gz ZEXDMGIIHIMTPO-LBPRGKRZSA-N 0 0 386.402 3.964 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCCN(c4cccc(F)c4)C3)ccc2NC1=O ZINC000186635533 883678910 /nfs/dbraw/zinc/67/89/10/883678910.db2.gz YJZYVIDLJZBSFP-KRWDZBQOSA-N 0 0 397.454 3.594 10 0 GHAERN CN1Cc2cc(NC(=O)N(Cc3ccco3)Cc3cccnc3)ccc2NC1=O ZINC000186702972 883693300 /nfs/dbraw/zinc/69/33/00/883693300.db2.gz XNIJUZNUWFOREB-UHFFFAOYSA-N 0 0 391.431 3.886 10 0 GHAERN COc1cc(C)c(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000186731092 883697330 /nfs/dbraw/zinc/69/73/30/883697330.db2.gz WEUWAFUVZXTQBI-AWEZNQCLSA-N 0 0 383.427 3.597 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)Cc3ccc(OC(C)C)cc3)cc2)n1 ZINC000187119578 883748915 /nfs/dbraw/zinc/74/89/15/883748915.db2.gz XILDSPPMSLXKFL-UHFFFAOYSA-N 0 0 377.444 3.714 10 0 GHAERN O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 ZINC000187239263 883773754 /nfs/dbraw/zinc/77/37/54/883773754.db2.gz QICCGBDPRDVNIB-DLBZAZTESA-N 0 0 379.382 3.590 10 0 GHAERN CC(C)(CC(=O)NCc1cccnc1-n1cncn1)Cc1ccc(Cl)cc1 ZINC000187450890 883792127 /nfs/dbraw/zinc/79/21/27/883792127.db2.gz GKKKUZCTSJDIGL-UHFFFAOYSA-N 0 0 383.883 3.591 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)/C=C/c1ccccc1OC(F)F)[C@@H]2C ZINC000188730027 883864152 /nfs/dbraw/zinc/86/41/52/883864152.db2.gz YPWHJFOOBAHJBL-MMQHEFTJSA-N 0 0 376.407 3.620 10 0 GHAERN Oc1cccc(CN(Cc2nc(-c3ccccc3F)no2)C2CCC(O)CC2)c1 ZINC000189037474 883899399 /nfs/dbraw/zinc/89/93/99/883899399.db2.gz DBMVJSQCEIQOBT-UHFFFAOYSA-N 0 0 397.450 3.887 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000189060094 883900048 /nfs/dbraw/zinc/90/00/48/883900048.db2.gz OQLYLTIQEFAIQQ-OAQYLSRUSA-N 0 0 399.922 3.921 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000189083544 883901956 /nfs/dbraw/zinc/90/19/56/883901956.db2.gz JPQBZTCJPPULGP-XJKSGUPXSA-N 0 0 398.290 3.996 10 0 GHAERN Cc1c(NC(=O)N2CCC(Nc3nccs3)CC2)cnn1-c1ccccc1 ZINC000189200561 883911687 /nfs/dbraw/zinc/91/16/87/883911687.db2.gz WCOQVUQDCVITJZ-UHFFFAOYSA-N 0 0 382.493 3.746 10 0 GHAERN COCCOc1cccc(/C=C/C(=O)NCc2nnc(-c3ccccc3)s2)c1 ZINC000189400713 883943145 /nfs/dbraw/zinc/94/31/45/883943145.db2.gz JTDPICHQNXELNA-ZHACJKMWSA-N 0 0 395.484 3.560 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189438244 883954044 /nfs/dbraw/zinc/95/40/44/883954044.db2.gz NXWQMRZFUKXKRX-TZIWHRDSSA-N 0 0 378.472 3.795 10 0 GHAERN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189438266 883954333 /nfs/dbraw/zinc/95/43/33/883954333.db2.gz NXWQMRZFUKXKRX-CTNGQTDRSA-N 0 0 378.472 3.795 10 0 GHAERN Cc1cc(C)c(NC(=O)CNC(=O)N[C@H]2CCOc3c(C)cccc32)c(C)c1 ZINC000189747116 884004330 /nfs/dbraw/zinc/00/43/30/884004330.db2.gz AUQHUKZBKPEESN-SFHVURJKSA-N 0 0 381.476 3.682 10 0 GHAERN O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189815475 884013641 /nfs/dbraw/zinc/01/36/41/884013641.db2.gz XYEFBFGRJREBNM-UHFFFAOYSA-N 0 0 377.419 3.720 10 0 GHAERN NC(=O)N[C@@H](CC(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1)c1cccs1 ZINC000190265185 884063102 /nfs/dbraw/zinc/06/31/02/884063102.db2.gz YISXNTQTYFJEKD-WBMJQRKESA-N 0 0 393.459 3.532 10 0 GHAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190284737 884064497 /nfs/dbraw/zinc/06/44/97/884064497.db2.gz KOPDNOVEKZLKBU-CYBMUJFWSA-N 0 0 386.402 3.682 10 0 GHAERN CSc1ccc(O[C@H](C)C(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000190434706 884080320 /nfs/dbraw/zinc/08/03/20/884080320.db2.gz GFPYHHYDURANOM-CYBMUJFWSA-N 0 0 377.535 3.735 10 0 GHAERN C[C@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000190719010 884102443 /nfs/dbraw/zinc/10/24/43/884102443.db2.gz IBJIICKMUQXXKI-HNNXBMFYSA-N 0 0 380.444 3.754 10 0 GHAERN CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000190887646 884118990 /nfs/dbraw/zinc/11/89/90/884118990.db2.gz ZMYBRVKWUHHECP-MRXNPFEDSA-N 0 0 393.487 3.984 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000105089714 884125088 /nfs/dbraw/zinc/12/50/88/884125088.db2.gz MTJSCFRKFOBBEF-UHFFFAOYSA-N 0 0 392.503 3.882 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@](=O)Cc2ccccc2Cl)cc1 ZINC000191202388 884162397 /nfs/dbraw/zinc/16/23/97/884162397.db2.gz WTSHJQAFAJGEOB-NIYFSFCBSA-N 0 0 391.920 3.961 10 0 GHAERN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000191813500 884212930 /nfs/dbraw/zinc/21/29/30/884212930.db2.gz BKOPFOZRAHVKHB-FUHWJXTLSA-N 0 0 386.517 3.978 10 0 GHAERN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)N1CCCN(C)C(=O)C1 ZINC000191933080 884221139 /nfs/dbraw/zinc/22/11/39/884221139.db2.gz AVZUMJBGZIRRQM-QGZVFWFLSA-N 0 0 381.476 3.831 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000192952765 884316576 /nfs/dbraw/zinc/31/65/76/884316576.db2.gz KNARWEUQMZNRBA-IRXDYDNUSA-N 0 0 386.377 3.706 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)ccc1N(C)C ZINC000193064432 884323636 /nfs/dbraw/zinc/32/36/36/884323636.db2.gz QQZYDUOUGXSXGI-MRXNPFEDSA-N 0 0 378.480 3.515 10 0 GHAERN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000193261264 884334878 /nfs/dbraw/zinc/33/48/78/884334878.db2.gz BHNMOBFOJRGVGC-INIZCTEOSA-N 0 0 391.393 3.973 10 0 GHAERN O=C(Nc1ccc2ncsc2c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000193187129 884341325 /nfs/dbraw/zinc/34/13/25/884341325.db2.gz MJKAHRFQCJMSGH-ZDUSSCGKSA-N 0 0 378.461 3.751 10 0 GHAERN CCCCN1C(=O)CC[C@H](C(=O)Nc2cc(CC)[nH]n2)[C@H]1c1ccccc1OC ZINC000102784918 884452505 /nfs/dbraw/zinc/45/25/05/884452505.db2.gz CKQUEGHBSIGFTF-LAUBAEHRSA-N 0 0 398.507 3.699 10 0 GHAERN CCCn1nccc1NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000102908231 884613755 /nfs/dbraw/zinc/61/37/55/884613755.db2.gz FFPZAXOEEXDBBC-UHFFFAOYSA-N 0 0 379.251 3.741 10 0 GHAERN CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)cc1F ZINC000105984439 884939626 /nfs/dbraw/zinc/93/96/26/884939626.db2.gz LINOYPRMQROLDU-MRXNPFEDSA-N 0 0 387.451 3.830 10 0 GHAERN O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000106012137 884954494 /nfs/dbraw/zinc/95/44/94/884954494.db2.gz MNYCBPXBPTWPED-LLVKDONJSA-N 0 0 399.224 3.941 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000248852787 885068043 /nfs/dbraw/zinc/06/80/43/885068043.db2.gz OYELTUNDZPGUNB-ZTFGCOKTSA-N 0 0 382.863 3.520 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1)[C@@H]1CCCO1 ZINC000303189096 885367367 /nfs/dbraw/zinc/36/73/67/885367367.db2.gz JNQUYURMANNBAA-SJORKVTESA-N 0 0 385.489 3.628 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1nc(-n2nc(C)cc2C)ccc1Cl ZINC000104456565 885452621 /nfs/dbraw/zinc/45/26/21/885452621.db2.gz FGOUGKCYHFWTSK-UHFFFAOYSA-N 0 0 398.894 3.861 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000102536959 885972017 /nfs/dbraw/zinc/97/20/17/885972017.db2.gz PEXLENPVIOJTMR-GOSISDBHSA-N 0 0 396.491 3.809 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000109702927 886151898 /nfs/dbraw/zinc/15/18/98/886151898.db2.gz XFYURGNMMNXASX-UHFFFAOYSA-N 0 0 394.822 3.542 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000112855614 886275301 /nfs/dbraw/zinc/27/53/01/886275301.db2.gz IDWVIECFVMHGAO-RTBURBONSA-N 0 0 390.474 3.710 10 0 GHAERN NC(=O)CCSc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114814621 886329234 /nfs/dbraw/zinc/32/92/34/886329234.db2.gz GOBCUDLMZJTWPO-CYBMUJFWSA-N 0 0 390.534 3.522 10 0 GHAERN COc1ccc(S[C@H](C)C(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116667418 886369235 /nfs/dbraw/zinc/36/92/35/886369235.db2.gz PKOQVYJZZLTUAX-MRXNPFEDSA-N 0 0 385.533 3.664 10 0 GHAERN COc1ccccc1C/C(C)=C/C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116670944 886370102 /nfs/dbraw/zinc/37/01/02/886370102.db2.gz HSARIPHFSSFQHE-WUKNDPDISA-N 0 0 379.504 3.673 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000117638205 886389820 /nfs/dbraw/zinc/38/98/20/886389820.db2.gz VIMSZDQMPXWHFC-VFNWGFHPSA-N 0 0 387.439 3.515 10 0 GHAERN CCNC(=O)COc1cccc(NC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000120792715 886531609 /nfs/dbraw/zinc/53/16/09/886531609.db2.gz LVRGNAAZWXSOMU-UHFFFAOYSA-N 0 0 397.450 3.662 10 0 GHAERN Cc1noc([C@@H](NC(=O)N2CCCC[C@@H]2Cc2ccccc2)C2CCOCC2)n1 ZINC000332888817 886558054 /nfs/dbraw/zinc/55/80/54/886558054.db2.gz FMAJIIFTTMXKSJ-UXHICEINSA-N 0 0 398.507 3.653 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC(c3cnn(CC)c3)CC2)ccc1OC ZINC000123833991 886679329 /nfs/dbraw/zinc/67/93/29/886679329.db2.gz ZYQQHNLHZYQUJW-VQHVLOKHSA-N 0 0 383.492 3.730 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(Cc2ccccc2)C2CC2)c2ccccc2F)no1 ZINC000124332951 886733458 /nfs/dbraw/zinc/73/34/58/886733458.db2.gz REYBQMHQPBKFQG-IBGZPJMESA-N 0 0 380.423 3.981 10 0 GHAERN Cn1ccnc1-c1csc(NC(=O)/C=C/c2c(Cl)nc3sccn23)n1 ZINC000125698347 886893670 /nfs/dbraw/zinc/89/36/70/886893670.db2.gz BRNDUMOMMNYWEZ-NSCUHMNNSA-N 0 0 390.881 3.558 10 0 GHAERN Cn1cnnc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 ZINC000125990296 886919764 /nfs/dbraw/zinc/91/97/64/886919764.db2.gz WBMXPEFHFNLJAL-KOEDOTQGSA-N 0 0 393.422 3.518 10 0 GHAERN O=[S@@](Cc1nc(-c2ccsc2)no1)Cc1cc(Cl)cc2c1OCOC2 ZINC000126544597 886980558 /nfs/dbraw/zinc/98/05/58/886980558.db2.gz SQUPNVDOZIFHAS-VWLOTQADSA-N 0 0 396.877 3.767 10 0 GHAERN CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000126681345 886994392 /nfs/dbraw/zinc/99/43/92/886994392.db2.gz ANBAUNKQENZXEK-KRWDZBQOSA-N 0 0 387.867 3.767 10 0 GHAERN COc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000045103465 887030398 /nfs/dbraw/zinc/03/03/98/887030398.db2.gz ULWKVBSYADOSCI-GOEBONIOSA-N 0 0 397.454 3.527 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCCCC[C@@H]1c1ccncc1 ZINC000045278912 887041289 /nfs/dbraw/zinc/04/12/89/887041289.db2.gz RIQAQKIGGZBHNY-RTBURBONSA-N 0 0 399.516 3.627 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCC(=O)CCC(=O)c3cccs3)CCO2)o1 ZINC000127258529 887044131 /nfs/dbraw/zinc/04/41/31/887044131.db2.gz USRXGNJRGIZANK-SFHVURJKSA-N 0 0 389.473 3.562 10 0 GHAERN COc1ccc([C@H](NC(=O)NC2C3CC4CC(C3)CC2C4)c2nccn2C)cc1 ZINC000127310497 887050600 /nfs/dbraw/zinc/05/06/00/887050600.db2.gz VLKGHICKNVEMNS-KFYOHUJSSA-N 0 0 394.519 3.642 10 0 GHAERN C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000046335042 887180812 /nfs/dbraw/zinc/18/08/12/887180812.db2.gz ANUVRVUBOPBOJB-YOEHRIQHSA-N 0 0 388.899 3.789 10 0 GHAERN O=C(Nc1ccc(NC(=O)C2CC2)cc1)NC1CCN(c2cccs2)CC1 ZINC000130518870 887443064 /nfs/dbraw/zinc/44/30/64/887443064.db2.gz RTGMTTKGDAESGP-UHFFFAOYSA-N 0 0 384.505 3.887 10 0 GHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000131058384 887504163 /nfs/dbraw/zinc/50/41/63/887504163.db2.gz VNHYWODPNWSPLH-MOPGFXCFSA-N 0 0 388.471 3.950 10 0 GHAERN O=C(NCCc1nc2c(s1)CCCC2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000124910663 887508635 /nfs/dbraw/zinc/50/86/35/887508635.db2.gz MFTDGWXTMPICKW-NWDGAFQWSA-N 0 0 375.460 3.985 10 0 GHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000131786299 887574869 /nfs/dbraw/zinc/57/48/69/887574869.db2.gz CGOVXZOYRFSKQS-KBXCAEBGSA-N 0 0 377.492 3.926 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000132055739 887603254 /nfs/dbraw/zinc/60/32/54/887603254.db2.gz AVUWEJPUNSVAGE-MRXNPFEDSA-N 0 0 386.475 3.797 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 ZINC000132481659 887662338 /nfs/dbraw/zinc/66/23/38/887662338.db2.gz IUMQBSXYEVEFEM-QGZVFWFLSA-N 0 0 398.511 3.540 10 0 GHAERN COC(=O)N(C)c1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000132507198 887667161 /nfs/dbraw/zinc/66/71/61/887667161.db2.gz PBXSDPWHPHAVTJ-UHFFFAOYSA-N 0 0 388.493 3.741 10 0 GHAERN Cc1cc(Cl)ncc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000132832774 887704895 /nfs/dbraw/zinc/70/48/95/887704895.db2.gz JACBTAYZJVPQLT-UHFFFAOYSA-N 0 0 378.904 3.690 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000133365398 887754683 /nfs/dbraw/zinc/75/46/83/887754683.db2.gz CTBGUWAXPHFECX-APWZRJJASA-N 0 0 385.439 3.724 10 0 GHAERN CC(C)[C@H](C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1)c1cccc(Cl)c1 ZINC000134289289 887848371 /nfs/dbraw/zinc/84/83/71/887848371.db2.gz FLTDNBZWQXJEEP-NEWSRXKRSA-N 0 0 389.927 3.785 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000134325465 887860410 /nfs/dbraw/zinc/86/04/10/887860410.db2.gz SKSWGJUSMFUIJQ-LPHOPBHVSA-N 0 0 387.549 3.726 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1 ZINC000134326383 887860643 /nfs/dbraw/zinc/86/06/43/887860643.db2.gz AUEFXQJIZXFJRR-RBBKRZOGSA-N 0 0 389.499 3.524 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)oc2c1c(C)ccc2C ZINC000134356140 887862307 /nfs/dbraw/zinc/86/23/07/887862307.db2.gz ZDQJMHQLZNRLTN-AEFFLSMTSA-N 0 0 381.476 3.677 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC000134358931 887863912 /nfs/dbraw/zinc/86/39/12/887863912.db2.gz CUDWLZRXZKTTHF-NIAPBTPMSA-N 0 0 375.557 3.935 10 0 GHAERN Cc1c(C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)sc2cccc(F)c12 ZINC000134381589 887865624 /nfs/dbraw/zinc/86/56/24/887865624.db2.gz BVVNZEVKWZIFIF-DYVFJYSZSA-N 0 0 387.480 3.668 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)CCCc2csc3ccccc23)C1 ZINC000134395316 887867779 /nfs/dbraw/zinc/86/77/79/887867779.db2.gz OHVRUEBBZSTKKI-KKSFZXQISA-N 0 0 397.544 3.930 10 0 GHAERN Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)c1 ZINC000134392032 887868653 /nfs/dbraw/zinc/86/86/53/887868653.db2.gz XDSCUWDJTMSCKR-UGKGYDQZSA-N 0 0 399.535 3.558 10 0 GHAERN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000135242337 888225646 /nfs/dbraw/zinc/22/56/46/888225646.db2.gz ABHPBTMFXUYLJO-OXQOHEQNSA-N 0 0 380.463 3.966 10 0 GHAERN O=C(NC1CC1)C1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000054837464 888294158 /nfs/dbraw/zinc/29/41/58/888294158.db2.gz GLGXZLMNUNKZJG-UHFFFAOYSA-N 0 0 378.501 3.853 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)N2CC=C(c3ccccc3)CC2)CC1 ZINC000056446659 888362388 /nfs/dbraw/zinc/36/23/88/888362388.db2.gz LWFSRYTUSHYRGT-UHFFFAOYSA-N 0 0 383.536 3.913 10 0 GHAERN CCN(CC)c1ccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000061546826 888490929 /nfs/dbraw/zinc/49/09/29/888490929.db2.gz NOSBNWDTANIKPZ-UHFFFAOYSA-N 0 0 385.552 3.788 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000193840574 888531062 /nfs/dbraw/zinc/53/10/62/888531062.db2.gz QCEDTZAULVHACI-NRFANRHFSA-N 0 0 393.531 3.690 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](c3cccs3)c3ncc[nH]3)cc2)CCC(=O)NC1=O ZINC000195105430 888645936 /nfs/dbraw/zinc/64/59/36/888645936.db2.gz GHEKENNIGMXNDI-RXVVDRJESA-N 0 0 394.500 3.757 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCCO[C@@H]3c3ccccc3)cc2)n1 ZINC000195488712 888670434 /nfs/dbraw/zinc/67/04/34/888670434.db2.gz WQWCQXWNOAQSNR-PZJWPPBQSA-N 0 0 389.455 3.852 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000245386126 888743996 /nfs/dbraw/zinc/74/39/96/888743996.db2.gz KGEJWTXSPQFNTE-QRFRQXIXSA-N 0 0 382.485 3.526 10 0 GHAERN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)C1 ZINC000245418285 888747731 /nfs/dbraw/zinc/74/77/31/888747731.db2.gz ARJWSFJUJICTCE-SCTDSRPQSA-N 0 0 393.911 3.591 10 0 GHAERN CC1(C)CC[C@@H](NC(=O)N2CCC(Nc3cccnn3)CC2)c2ccccc21 ZINC000154275138 888917161 /nfs/dbraw/zinc/91/71/61/888917161.db2.gz PXJYZEMXRJRZJP-LJQANCHMSA-N 0 0 379.508 3.875 10 0 GHAERN C[C@H](C(=O)Nc1cccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1)n1cccn1 ZINC000245603471 889052274 /nfs/dbraw/zinc/05/22/74/889052274.db2.gz GYOSFBIZQIJHAP-XWPNQZOQSA-N 0 0 380.492 3.842 10 0 GHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245689081 889229716 /nfs/dbraw/zinc/22/97/16/889229716.db2.gz OVXGUBSETPXIPW-TXPKVOOTSA-N 0 0 386.496 3.575 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1)c1cccc(Cl)c1 ZINC000245701626 889292926 /nfs/dbraw/zinc/29/29/26/889292926.db2.gz VMIBWKCRDAISON-BPQIPLTHSA-N 0 0 390.915 3.680 10 0 GHAERN O=C(N[C@H]1c2ccccc2C[C@@H]1O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123498651 889312862 /nfs/dbraw/zinc/31/28/62/889312862.db2.gz RBSFWTWLFMJCSR-DYXWJJEUSA-N 0 0 378.472 3.781 10 0 GHAERN Cc1ccc(OCc2nc(CC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cs2)cc1 ZINC000245724994 889470642 /nfs/dbraw/zinc/47/06/42/889470642.db2.gz ABJMRFGUEGFJQK-IOMROCGXSA-N 0 0 398.528 3.647 10 0 GHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000245902130 889978567 /nfs/dbraw/zinc/97/85/67/889978567.db2.gz BFYQNYBGCIITTR-XHSDSOJGSA-N 0 0 378.538 3.875 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1 ZINC000245920346 890016520 /nfs/dbraw/zinc/01/65/20/890016520.db2.gz GRWGBCFZWKSKOP-IVAOSVALSA-N 0 0 381.520 3.619 10 0 GHAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000246012678 890181061 /nfs/dbraw/zinc/18/10/61/890181061.db2.gz RVZZIPOJKOHMAL-JJRVBVJISA-N 0 0 393.940 3.526 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000246023735 890196939 /nfs/dbraw/zinc/19/69/39/890196939.db2.gz KPYNENZIWGNJTP-UHOSZYNNSA-N 0 0 399.878 3.595 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)[C@H]2CCO[C@H]21 ZINC000246088030 890334276 /nfs/dbraw/zinc/33/42/76/890334276.db2.gz ITLXWLLZTQHKOC-FSPWUOQZSA-N 0 0 378.432 3.825 10 0 GHAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000246208115 890731198 /nfs/dbraw/zinc/73/11/98/890731198.db2.gz DZMAYECHYSFUFP-QXAKKESOSA-N 0 0 383.492 3.813 10 0 GHAERN CCCCOc1ccc(/C=C/C(=O)NCc2nnc3n2CCCCC3)cc1OC ZINC000067508021 891154045 /nfs/dbraw/zinc/15/40/45/891154045.db2.gz QQTCSUGCFPZGFF-ZRDIBKRKSA-N 0 0 398.507 3.522 10 0 GHAERN c1cc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)o3)n2)co1 ZINC000105572747 891243484 /nfs/dbraw/zinc/24/34/84/891243484.db2.gz PBPYYDOCPJSDMX-CYBMUJFWSA-N 0 0 384.373 3.517 10 0 GHAERN C[C@@H]1CN(S(=O)(=O)Cc2cccc3cccnc32)C[C@@H](c2ccsc2)O1 ZINC000246535604 891284436 /nfs/dbraw/zinc/28/44/36/891284436.db2.gz PVNZYOWNRLYTKL-KDOFPFPSSA-N 0 0 388.514 3.588 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N3CC[C@@H](Nc4ccccc4)C3)cc2)CCO1 ZINC000246726648 891301488 /nfs/dbraw/zinc/30/14/88/891301488.db2.gz MNSYMHWCPBAVHO-FXAWDEMLSA-N 0 0 380.492 3.630 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)Cc3ccc([S@@](C)=O)cc3)C2)cc1 ZINC000247127403 891348905 /nfs/dbraw/zinc/34/89/05/891348905.db2.gz SALIVIKOFOSGIC-WHLCRQNOSA-N 0 0 399.560 3.543 10 0 GHAERN Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1C(F)(F)F ZINC000247451914 891377999 /nfs/dbraw/zinc/37/79/99/891377999.db2.gz OYKVNURZNLDQFV-LXZKKBNFSA-N 0 0 393.409 3.887 10 0 GHAERN CN(C[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCc2ccccc23)C1)C(=O)OC(C)(C)C ZINC000247463797 891379150 /nfs/dbraw/zinc/37/91/50/891379150.db2.gz RBOIVTPEGVJODI-QUZZAMIASA-N 0 0 384.520 3.606 10 0 GHAERN CO[C@@H](C)CN1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000248439103 891436294 /nfs/dbraw/zinc/43/62/94/891436294.db2.gz UAMKKTRYZIQAQV-WFASDCNBSA-N 0 0 380.286 3.595 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1C(=O)N(C)C(C)C ZINC000248731055 891462858 /nfs/dbraw/zinc/46/28/58/891462858.db2.gz LEEPBDLJVNOYOV-BHIYHBOVSA-N 0 0 385.508 3.555 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](SCc2ccccc2)C(C)C)C1 ZINC000248983770 891486366 /nfs/dbraw/zinc/48/63/66/891486366.db2.gz ULSWOAXSKJVYOV-SQNIBIBYSA-N 0 0 389.521 3.624 10 0 GHAERN O=C(Nc1ccccc1C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12)OCc1ccccc1 ZINC000249172234 891500039 /nfs/dbraw/zinc/50/00/39/891500039.db2.gz LMRHQJPMJIRDDO-PWIZWCRZSA-N 0 0 380.444 3.733 10 0 GHAERN O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@@H]1C1CCCCC1 ZINC000079951988 892759487 /nfs/dbraw/zinc/75/94/87/892759487.db2.gz GRNIFSMABSQHHX-QZTJIDSGSA-N 0 0 376.522 3.659 10 0 GHAERN CCOc1ccc(OC)cc1NC(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000105043807 898182563 /nfs/dbraw/zinc/18/25/63/898182563.db2.gz HEMBTCSJMATNPY-AWEZNQCLSA-N 0 0 381.436 3.557 10 0 GHAERN CC[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1OC(C)C)c1nc(C)cs1 ZINC000105741705 898234029 /nfs/dbraw/zinc/23/40/29/898234029.db2.gz DLHYAONAJKTQMD-CYBMUJFWSA-N 0 0 379.457 3.584 10 0 GHAERN O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000333176924 900014084 /nfs/dbraw/zinc/01/40/84/900014084.db2.gz OWNOAOBCCQPESK-RPVQJOFSSA-N 0 0 381.925 3.753 10 0 GHAERN CC1(C)CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000333223877 900048106 /nfs/dbraw/zinc/04/81/06/900048106.db2.gz FGYNPLKXAGCXFG-ZMPRRUGASA-N 0 0 395.507 3.623 10 0 GHAERN CC(C)Oc1cccc([C@H](C)NC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000333315626 902000447 /nfs/dbraw/zinc/00/04/47/902000447.db2.gz WBRGLEVGSBUKIX-UHOSZYNNSA-N 0 0 387.524 3.625 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@H](c4ccccc4)CC3)O2)n1 ZINC000333759225 902313687 /nfs/dbraw/zinc/31/36/87/902313687.db2.gz VFSOIWAPJOBVKR-OTWHNJEPSA-N 0 0 384.480 3.577 10 0 GHAERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000333810771 902341592 /nfs/dbraw/zinc/34/15/92/902341592.db2.gz GNALPXUAMIENQE-KDOFPFPSSA-N 0 0 393.478 3.679 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334047332 902525138 /nfs/dbraw/zinc/52/51/38/902525138.db2.gz QNHGPSZXZOHTPB-XMSQKQJNSA-N 0 0 380.419 3.633 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000282774514 904309088 /nfs/dbraw/zinc/30/90/88/904309088.db2.gz MDGITNFEZDRHQR-JONQDZQNSA-N 0 0 382.430 3.871 10 0 GHAERN CC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000188023287 908168508 /nfs/dbraw/zinc/16/85/08/908168508.db2.gz FEQVVJYSKBYMSG-HNNXBMFYSA-N 0 0 384.910 3.833 10 0 GHAERN COCCOc1ccc(NC(=O)N2CCC[C@H]2c2csc(C)n2)cc1F ZINC000188722712 908242220 /nfs/dbraw/zinc/24/22/20/908242220.db2.gz BUUUGWLCQYMJRG-INIZCTEOSA-N 0 0 379.457 3.985 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000189063743 908278105 /nfs/dbraw/zinc/27/81/05/908278105.db2.gz IPMVSWGPHSWAEJ-QFBILLFUSA-N 0 0 391.427 3.809 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 ZINC000189442816 908323665 /nfs/dbraw/zinc/32/36/65/908323665.db2.gz PCRRROBDYROEOR-AWEZNQCLSA-N 0 0 383.395 3.773 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000190075327 908420696 /nfs/dbraw/zinc/42/06/96/908420696.db2.gz RMZLIYKCGPDERJ-AAEUAGOBSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2N(C)C2CCCC2)C1 ZINC000190134502 908435607 /nfs/dbraw/zinc/43/56/07/908435607.db2.gz GSPQWAVYRAFWLF-LPHOPBHVSA-N 0 0 399.495 3.751 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)CCO2)n1 ZINC000194245145 908928233 /nfs/dbraw/zinc/92/82/33/908928233.db2.gz ZVTAFEFUSGBEMO-CABCVRRESA-N 0 0 393.896 3.712 10 0 GHAERN CCOc1ccccc1C(=O)OCC[C@H]1CCCCN1C(=O)c1cccn1C ZINC000103816169 911198661 /nfs/dbraw/zinc/19/86/61/911198661.db2.gz UVNNBYVMVHXQDR-QGZVFWFLSA-N 0 0 384.476 3.666 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)[C@H]1CCCc3c(O)cccc31)CCCC2 ZINC000284653991 911968806 /nfs/dbraw/zinc/96/88/06/911968806.db2.gz PQOIUZOGACWFIU-FXAWDEMLSA-N 0 0 379.504 3.788 10 0 GHAERN O=C(c1cc(Br)sc1Br)N1CC[C@H]2OCC[C@H]2C1 ZINC000369662147 923521479 /nfs/dbraw/zinc/52/14/79/923521479.db2.gz FPYAQUFRYNOTJP-IONNQARKSA-N 0 0 395.116 3.524 10 0 GHAERN O=C(c1cnc2sccn2c1=O)N1CCC[C@@H]1c1nc(C2CCCCC2)co1 ZINC000371063794 924412139 /nfs/dbraw/zinc/41/21/39/924412139.db2.gz MYPDCNWUTVUVDV-MRXNPFEDSA-N 0 0 398.488 3.769 10 0 GHAERN FC(F)(F)Cn1nnnc1CN1CCC[C@H]1c1nc(C2CCCCC2)co1 ZINC000372992023 925804957 /nfs/dbraw/zinc/80/49/57/925804957.db2.gz HUWGKRAYNNHLPO-AWEZNQCLSA-N 0 0 384.406 3.608 10 0 GHAERN CCCCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3cccc(O)c3)N2C1=O ZINC000001661609 212252044 /nfs/dbraw/zinc/25/20/44/212252044.db2.gz IDGCPAFIELNTPI-CTNGQTDRSA-N 0 0 389.455 3.952 10 0 GHAERN Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCC3)c3ccccc32)n1 ZINC000001366882 212238879 /nfs/dbraw/zinc/23/88/79/212238879.db2.gz YBXCAINCJZVIDV-UHFFFAOYSA-N 0 0 381.505 3.583 10 0 GHAERN Cc1ccc(-c2cc(C(F)(F)F)nc(S[C@H]3CC(=O)[C@@H]4OC[C@H]3O4)n2)cc1 ZINC000001070458 212213541 /nfs/dbraw/zinc/21/35/41/212213541.db2.gz VHSVBFVUAMIUAE-IJEWVQPXSA-N 0 0 396.390 3.646 10 0 GHAERN CCOC(=O)c1sc2c(c1NC(=O)c1ccc3c(c1)OCCO3)CCCC2 ZINC000000851920 212189576 /nfs/dbraw/zinc/18/95/76/212189576.db2.gz FMOGEYOUYXUENI-UHFFFAOYSA-N 0 0 387.457 3.827 10 0 GHAERN CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000002040494 220501726 /nfs/dbraw/zinc/50/17/26/220501726.db2.gz GVBNSPFBYXGREE-ZBJVWZGCSA-N 0 0 388.416 3.526 10 0 biogenic,in-man GHAERN COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)C)cc1 ZINC000002976774 220591225 /nfs/dbraw/zinc/59/12/25/220591225.db2.gz AILQXNOMIKNSSS-FQEVSTJZSA-N 0 0 399.487 3.873 10 0 GHAERN CCOc1ccc(N2C[C@H](C(=O)N[C@H]3CCCc4ccccc43)CC2=O)cc1 ZINC000003524973 220654229 /nfs/dbraw/zinc/65/42/29/220654229.db2.gz NSAFJWZCOYKWLD-UTKZUKDTSA-N 0 0 378.472 3.632 10 0 GHAERN COc1ccc(Cl)cc1NC(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000004893615 220785023 /nfs/dbraw/zinc/78/50/23/220785023.db2.gz GRRWDGGOXBHUCL-UHFFFAOYSA-N 0 0 379.865 3.602 10 0 GHAERN COc1ccc(-c2noc(N3CCC[C@H](C(=O)Nc4ccccc4F)C3)n2)cc1 ZINC000006738658 220956138 /nfs/dbraw/zinc/95/61/38/220956138.db2.gz XKSVYOKUDUTHRE-HNNXBMFYSA-N 0 0 396.422 3.739 10 0 GHAERN CSCC(=O)NC[C@@H]1Cc2cc(-c3cnc4ccccc4c3)cc(F)c2O1 ZINC000012152265 221160724 /nfs/dbraw/zinc/16/07/24/221160724.db2.gz QMBFXYFANHQOCN-KRWDZBQOSA-N 0 0 382.460 3.824 10 0 GHAERN O=C(NCc1cccnc1)[C@H]1CC12CCN(Cc1nc3ccccc3s1)CC2 ZINC000012029481 221143265 /nfs/dbraw/zinc/14/32/65/221143265.db2.gz JLPUENZIDBWQEJ-QGZVFWFLSA-N 0 0 392.528 3.610 10 0 GHAERN O=C(NCc1cn2c(n1)SCC2)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000012446398 221197292 /nfs/dbraw/zinc/19/72/92/221197292.db2.gz AGHWPTVNIBHHFU-UHFFFAOYSA-N 0 0 390.468 3.651 10 0 GHAERN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)c2ccc3ccccc3c2)C1 ZINC000012715676 221221071 /nfs/dbraw/zinc/22/10/71/221221071.db2.gz XWXHNGQCRXFITB-IBGZPJMESA-N 0 0 398.484 3.728 10 0 GHAERN C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1cccc(C(F)(F)F)c1 ZINC000014574844 221312560 /nfs/dbraw/zinc/31/25/60/221312560.db2.gz PIINNBWTOKSJJR-NEPJUHHUSA-N 0 0 390.361 3.567 10 0 GHAERN CCC(CC)C(=O)N1CCC[C@@H](COc2ccc(CN3CCOCC3)cc2)C1 ZINC000015067119 221329352 /nfs/dbraw/zinc/32/93/52/221329352.db2.gz HAHIFNSWRXGGKH-HXUWFJFHSA-N 0 0 388.552 3.572 10 0 GHAERN O=C(CSc1nc2c(c(=O)[nH]1)CCC2)N(c1ccccc1)c1ccccc1 ZINC000018155710 221389352 /nfs/dbraw/zinc/38/93/52/221389352.db2.gz OTKORVRYKNTASA-UHFFFAOYSA-N 0 0 377.469 3.716 10 0 GHAERN C[C@@H](CCc1ccco1)NC(=O)[C@H]1CCc2nc(N3CCC(C)CC3)ncc2C1 ZINC000065289532 136162633 /nfs/dbraw/zinc/16/26/33/136162633.db2.gz TWHXYVSUCLCMHG-ROUUACIJSA-N 0 0 396.535 3.548 10 0 GHAERN C[C@H]1[C@H](NC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccccc2)CCC[C@@H]1C ZINC000169712298 136197516 /nfs/dbraw/zinc/19/75/16/136197516.db2.gz ILZRRURGSORJTI-GVKACGJPSA-N 0 0 393.487 3.825 10 0 GHAERN C[C@@H]1CCC[C@@H](NC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccccc2)[C@@H]1C ZINC000169712297 136197580 /nfs/dbraw/zinc/19/75/80/136197580.db2.gz ILZRRURGSORJTI-VCNKVWKBSA-N 0 0 393.487 3.825 10 0 GHAERN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN(C(=O)c3ccsc3)C2)cc1 ZINC000065179554 222107711 /nfs/dbraw/zinc/10/77/11/222107711.db2.gz OBJKNRHCURPHSR-INIZCTEOSA-N 0 0 386.517 3.818 10 0 GHAERN COc1ccccc1CNC(=O)Cn1c(C)cc(-c2nnc(C3CCC3)o2)c1C ZINC000065194781 222109012 /nfs/dbraw/zinc/10/90/12/222109012.db2.gz DEWRVJXSDDKTGR-UHFFFAOYSA-N 0 0 394.475 3.747 10 0 GHAERN O=C(c1cccnc1)N1CC[C@H](n2c(-c3ccsc3)nc3cccnc32)C1 ZINC000065271401 222118902 /nfs/dbraw/zinc/11/89/02/222118902.db2.gz JSENMFMTLDLQSQ-INIZCTEOSA-N 0 0 375.457 3.642 10 0 GHAERN O=S(=O)(c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1)N1CCCC1 ZINC000065344470 222125365 /nfs/dbraw/zinc/12/53/65/222125365.db2.gz OPLBZAJIDZZGDF-UHFFFAOYSA-N 0 0 387.379 3.742 10 0 GHAERN CC(C)(C)OC(=O)NC[C@H]1CCN(c2nc3ccccc3nc2NC2CC2)C1 ZINC000095087805 222330696 /nfs/dbraw/zinc/33/06/96/222330696.db2.gz PJIMHRPJYNZHJG-CQSZACIVSA-N 0 0 383.496 3.555 10 0 GHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1C[S@@](=O)c1cnc2ccccc2n1 ZINC000095086804 222330729 /nfs/dbraw/zinc/33/07/29/222330729.db2.gz IVCWCYDQUKXZDY-PTFIGZPYSA-N 0 0 375.494 3.527 10 0 GHAERN COc1ccccc1OCC(=O)N1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000095528907 222352332 /nfs/dbraw/zinc/35/23/32/222352332.db2.gz COGZNVVJLNGPKS-QHCPKHFHSA-N 0 0 397.471 3.674 10 0 GHAERN CC(C)(C)OC(=O)Nc1cc(I)c2c(c1)COC(=O)N2 ZINC000095643222 222359020 /nfs/dbraw/zinc/35/90/20/222359020.db2.gz KVMBRNWFPWHJKZ-UHFFFAOYSA-N 0 0 390.177 3.700 10 0 GHAERN CCOc1ccc(/C=C/c2nc3c(OC)cccc3c(=O)n2C)cc1OCC ZINC000095932539 222360706 /nfs/dbraw/zinc/36/07/06/222360706.db2.gz JEFOGSHXWPGFCL-ACCUITESSA-N 0 0 380.444 3.910 10 0 GHAERN O=C(c1ccc(Br)c(F)c1)c1ccccc1CN1CCOCC1 ZINC000095932694 222361478 /nfs/dbraw/zinc/36/14/78/222361478.db2.gz QSKBWIMKGPXNLQ-UHFFFAOYSA-N 0 0 378.241 3.651 10 0 GHAERN COc1ccc(-c2cn(-c3ccc(Br)c(F)c3)nn2)cc1OC ZINC000725263659 570321185 /nfs/dbraw/zinc/32/11/85/570321185.db2.gz YWKHRFVTSATOQP-UHFFFAOYSA-N 0 0 378.201 3.853 10 0 GHAERN COc1cc(OC)c(NC(=O)C2=C(C)C(=O)OC23CCCCC3)cc1Cl ZINC000006772336 570383169 /nfs/dbraw/zinc/38/31/69/570383169.db2.gz NRSUDDMOHYYWBB-UHFFFAOYSA-N 0 0 379.840 3.872 10 0 GHAERN CCOC(=O)C(=CNC(=S)N(c1ccccc1)c1ccccc1)C(=O)OCC ZINC000005324825 570434049 /nfs/dbraw/zinc/43/40/49/570434049.db2.gz JGCYJYCTOYVOEX-UHFFFAOYSA-N 0 0 398.484 3.709 10 0 GHAERN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@H]1c1ccccc1OC ZINC000036051799 570523163 /nfs/dbraw/zinc/52/31/63/570523163.db2.gz ZWPIHQXYVBHNGE-SFTDATJTSA-N 0 0 394.515 3.776 10 0 GHAERN CC(C)NC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000036054731 570524143 /nfs/dbraw/zinc/52/41/43/570524143.db2.gz JDAJZTFOEXHVBE-OALUTQOASA-N 0 0 388.870 3.860 10 0 GHAERN O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NC1CCCCC1 ZINC000006796884 570597465 /nfs/dbraw/zinc/59/74/65/570597465.db2.gz WVTFIILVYVXYGU-NRFANRHFSA-N 0 0 393.487 3.777 10 0 GHAERN COc1ccc2cc([C@@H](C)C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)ccc2c1 ZINC000675058357 570903277 /nfs/dbraw/zinc/90/32/77/570903277.db2.gz BHUWUCGKKKGAIA-HUUCEWRRSA-N 0 0 386.492 3.981 10 0 GHAERN O=C(Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000104222916 837389031 /nfs/dbraw/zinc/38/90/31/837389031.db2.gz VSUQPKJTLWLSHB-LJQANCHMSA-N 0 0 392.459 3.670 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2cnn(-c3ccccc3)c2C)c2ccccc2)[nH]1 ZINC000156715438 834523855 /nfs/dbraw/zinc/52/38/55/834523855.db2.gz MDPNWVJPXHQWCY-IBGZPJMESA-N 0 0 387.447 3.518 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)n1 ZINC000186871637 834777936 /nfs/dbraw/zinc/77/79/36/834777936.db2.gz FZFVCZNEVKFFKJ-IBGZPJMESA-N 0 0 395.551 3.674 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)CC2)n1 ZINC000110892850 834788329 /nfs/dbraw/zinc/78/83/29/834788329.db2.gz TTXNWEMUZSPQPF-PFJITABBSA-N 0 0 386.540 3.580 10 0 GHAERN C[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)c1cccc(Cl)c1 ZINC000329327870 834854144 /nfs/dbraw/zinc/85/41/44/834854144.db2.gz XMEFGDGBAZGVMR-KSSFIOAISA-N 0 0 398.956 3.502 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)COc2ccc3oc4c(c3c2)CCCC4)no1 ZINC000329376683 834937135 /nfs/dbraw/zinc/93/71/35/834937135.db2.gz LXJOSZSDLQBLKU-QGZVFWFLSA-N 0 0 381.432 3.746 10 0 GHAERN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)C(=O)Nc1cccc(F)c1 ZINC000157518328 834959450 /nfs/dbraw/zinc/95/94/50/834959450.db2.gz GORVLEQZROXYTF-IBGZPJMESA-N 0 0 392.434 3.834 10 0 GHAERN Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@@H]2CC(C)(C)CCc3ccccc32)cnn1C ZINC000333096414 844014281 /nfs/dbraw/zinc/01/42/81/844014281.db2.gz PERWCAZWOUSRPL-PWRODBHTSA-N 0 0 396.535 3.962 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)c3nc(C)n(-c4ccc(F)cc4)n3)C2)sc1C ZINC000329507546 835167704 /nfs/dbraw/zinc/16/77/04/835167704.db2.gz AVTGBGUJBZRBMV-OAHLLOKOSA-N 0 0 399.495 3.808 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000175866968 835207513 /nfs/dbraw/zinc/20/75/13/835207513.db2.gz GBNUHHJYDAXIIZ-LSDHHAIUSA-N 0 0 382.493 3.578 10 0 GHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000408452269 844039404 /nfs/dbraw/zinc/03/94/04/844039404.db2.gz MFSDDZLHWKQZBH-ORAYPTAESA-N 0 0 383.879 3.504 10 0 GHAERN CC(=O)N1CCCc2cc(NC(=O)[C@H]3C[C@@]34CCOc3ccccc34)ccc21 ZINC000329592144 835314385 /nfs/dbraw/zinc/31/43/85/835314385.db2.gz BXFKIEXYZRCSNZ-AUSIDOKSSA-N 0 0 376.456 3.665 10 0 GHAERN O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000329603650 835339744 /nfs/dbraw/zinc/33/97/44/835339744.db2.gz GMFJCMMIWCRKIA-HGHGUNKESA-N 0 0 381.476 3.520 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000101810850 835654081 /nfs/dbraw/zinc/65/40/81/835654081.db2.gz PHCFJPGLKOOVCA-UHFFFAOYSA-N 0 0 380.473 3.602 10 0 GHAERN CC(C)C(=O)NC[C@@H]1CCCN(C(=O)N[C@H](c2ccco2)c2ccccc2)C1 ZINC000101976892 835754118 /nfs/dbraw/zinc/75/41/18/835754118.db2.gz UASWFYQHZKKCSX-PXNSSMCTSA-N 0 0 383.492 3.563 10 0 GHAERN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N[C@@H]1CC(C)(C)Oc3ccccc31)C(=O)C2 ZINC000246020874 835892475 /nfs/dbraw/zinc/89/24/75/835892475.db2.gz NNUFMTFTJHSWJO-PXARDIRTSA-N 0 0 391.533 3.604 10 0 GHAERN C[C@@H]1C[C@@H]1[C@@H](NC(=O)N[C@H]1CCC(=O)NC12CCC2)c1ccc(Cl)cc1 ZINC000332711486 836486221 /nfs/dbraw/zinc/48/62/21/836486221.db2.gz BFYIKCWZMSIUJB-JHMUCCBASA-N 0 0 375.900 3.538 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759209 836560783 /nfs/dbraw/zinc/56/07/83/836560783.db2.gz OWRVSPPXDXQCGX-UCNVEGJOSA-N 0 0 395.503 3.654 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000248856369 836620082 /nfs/dbraw/zinc/62/00/82/836620082.db2.gz ACBRTFLTKNXJDW-JHJVBQTASA-N 0 0 387.307 3.765 10 0 GHAERN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(c2cc[nH]n2)CC1 ZINC000332787959 836622741 /nfs/dbraw/zinc/62/27/41/836622741.db2.gz ISHAGKXMQNYBME-YOEHRIQHSA-N 0 0 378.398 3.874 10 0 GHAERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCC(=O)N2CCCc3ccccc32)cc1 ZINC000332912142 836974218 /nfs/dbraw/zinc/97/42/18/836974218.db2.gz ZVBYAEVIPBLRFM-NZQKXSOJSA-N 0 0 392.499 3.558 10 0 GHAERN CC(C)c1nnc2n1CCN(C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)[C@@H]2C ZINC000408419968 844234106 /nfs/dbraw/zinc/23/41/06/844234106.db2.gz QJMAQKNYHRHPSC-HZSPNIEDSA-N 0 0 387.450 3.856 10 0 GHAERN O=C(NCCc1cnn(-c2ccccc2)c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103177959 837273050 /nfs/dbraw/zinc/27/30/50/837273050.db2.gz NOUMUCCUSDPPGO-QHCPKHFHSA-N 0 0 397.482 3.899 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333219904 844314414 /nfs/dbraw/zinc/31/44/14/844314414.db2.gz LZVLKXMCYDCWLB-YVVSIOMPSA-N 0 0 397.928 3.611 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000106306701 838497044 /nfs/dbraw/zinc/49/70/44/838497044.db2.gz TWNQCQHTNDMVGB-UHFFFAOYSA-N 0 0 398.547 3.954 10 0 GHAERN COC(=O)[C@](C)(NC(=O)/C=C\c1ncccc1C)c1ccc(Cl)c(Cl)c1 ZINC000588511705 838548258 /nfs/dbraw/zinc/54/82/58/838548258.db2.gz OXOTZKYKMDCHQG-OLHLWXQYSA-N 0 0 393.270 3.915 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Br)c1 ZINC000247091457 838586803 /nfs/dbraw/zinc/58/68/03/838586803.db2.gz ROHLANMXRQZHEY-YEWWUXTCSA-N 0 0 381.314 3.847 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)c1ccccc1OCc1cccs1 ZINC000107112413 838675237 /nfs/dbraw/zinc/67/52/37/838675237.db2.gz IVDBNZJQZDTTAT-UHFFFAOYSA-N 0 0 394.500 3.516 10 0 GHAERN Clc1cc(Cl)cc(-c2nnc3ccc(N4CCO[C@H]5CCC[C@@H]54)nn32)c1 ZINC000330188948 838821871 /nfs/dbraw/zinc/82/18/71/838821871.db2.gz UVFGRCVSQPJHED-GJZGRUSLSA-N 0 0 390.274 3.856 10 0 GHAERN CN(C)S(=O)(=O)c1ccccc1NC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116499365 839215686 /nfs/dbraw/zinc/21/56/86/839215686.db2.gz NETQSLGESDQABT-HNNXBMFYSA-N 0 0 381.542 3.617 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)N[C@@H]3CCc4c3ccc(Cl)c4Cl)C2)cn1 ZINC000116432611 839252678 /nfs/dbraw/zinc/25/26/78/839252678.db2.gz XNIMZJLMZHUJTK-MEDUHNTESA-N 0 0 379.291 3.913 10 0 GHAERN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000116776715 839414223 /nfs/dbraw/zinc/41/42/23/839414223.db2.gz DMMBYTKVVOMSCK-AZUAARDMSA-N 0 0 396.535 3.652 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)c3cnc(-c4ccsc4)s3)C2)n1 ZINC000116779302 839414277 /nfs/dbraw/zinc/41/42/77/839414277.db2.gz UJFIPIRUGLFDGB-CQSZACIVSA-N 0 0 387.534 3.632 10 0 GHAERN CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@@H]3C[C@H]3C)o2)CC12CCCCC2 ZINC000408044440 839445946 /nfs/dbraw/zinc/44/59/46/839445946.db2.gz UZKBXHUSRSOWMF-OQIJWPOYSA-N 0 0 384.520 3.900 10 0 GHAERN O=C(NCc1cc(Cl)sc1Cl)N1CCC(N2CCCCC2=O)CC1 ZINC000408087974 840584957 /nfs/dbraw/zinc/58/49/57/840584957.db2.gz PAHJUDYESROYNK-UHFFFAOYSA-N 0 0 390.336 3.741 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208385 840761749 /nfs/dbraw/zinc/76/17/49/840761749.db2.gz VPEQBNYYRZXMTP-UKRRQHHQSA-N 0 0 385.537 3.850 10 0 GHAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(C)cc3Br)C2)c1 ZINC000106224243 840805313 /nfs/dbraw/zinc/80/53/13/840805313.db2.gz KQPDDNNMHFEHIJ-OAHLLOKOSA-N 0 0 391.313 3.538 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000332838863 844588107 /nfs/dbraw/zinc/58/81/07/844588107.db2.gz AWUIVINCWIDQEE-FPMFFAJLSA-N 0 0 378.826 3.862 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000189678230 841230049 /nfs/dbraw/zinc/23/00/49/841230049.db2.gz LCGOYXVFRGMDMG-OAHLLOKOSA-N 0 0 396.491 3.920 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)C2)nn1 ZINC000332895621 844628685 /nfs/dbraw/zinc/62/86/85/844628685.db2.gz KCXOHSSJDUVTPQ-RTBURBONSA-N 0 0 399.926 3.954 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](c3ccccc3)C3CCC3)C2)nn1 ZINC000332901055 844633645 /nfs/dbraw/zinc/63/36/45/844633645.db2.gz QEGBINIFKYKLLS-CTNGQTDRSA-N 0 0 379.508 3.594 10 0 GHAERN Cc1ccc([C@@H]2CCCN2C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)o1 ZINC000408178502 841800848 /nfs/dbraw/zinc/80/08/48/841800848.db2.gz RBTHZRPSMAMQTJ-ZDUSSCGKSA-N 0 0 383.473 3.591 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc(CN2CCOCC2)c(Cl)c1 ZINC000588427092 842092750 /nfs/dbraw/zinc/09/27/50/842092750.db2.gz VIWQUSLHJIBPPI-RJRFIUFISA-N 0 0 392.286 3.873 10 0 GHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC(=O)N1 ZINC000408196692 842432674 /nfs/dbraw/zinc/43/26/74/842432674.db2.gz CCFYZBVCEZNFCX-DGCLKSJQSA-N 0 0 391.924 3.570 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000588440632 842750571 /nfs/dbraw/zinc/75/05/71/842750571.db2.gz VBDLQNRPUFPQLO-WAYWQWQTSA-N 0 0 377.354 3.950 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)n1 ZINC000408368707 842899835 /nfs/dbraw/zinc/89/98/35/842899835.db2.gz MFUXIFZHNRSDGA-SUMWQHHRSA-N 0 0 384.505 3.596 10 0 GHAERN CC(C)CC(=O)N1CCC(NC(=O)N2CC=C(c3ccccc3F)CC2)CC1 ZINC000162959851 842932050 /nfs/dbraw/zinc/93/20/50/842932050.db2.gz WGMNMAWQEXZULY-UHFFFAOYSA-N 0 0 387.499 3.662 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnn(C4CCOCC4)c3C)C2)cc1 ZINC000163242951 842973746 /nfs/dbraw/zinc/97/37/46/842973746.db2.gz VJEKSHFZTQNPAE-QAPCUYQASA-N 0 0 383.492 3.570 10 0 GHAERN CN(C)C(=O)c1cccc(CCNC(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000163183147 842976653 /nfs/dbraw/zinc/97/66/53/842976653.db2.gz DTLYJYVWJOMALZ-UHFFFAOYSA-N 0 0 395.478 3.569 10 0 GHAERN CC1(C)C[C@@H](NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CCO1 ZINC000161731537 843131593 /nfs/dbraw/zinc/13/15/93/843131593.db2.gz FDCZUQCYWCOEPF-ROUUACIJSA-N 0 0 382.508 3.923 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000162427993 843253271 /nfs/dbraw/zinc/25/32/71/843253271.db2.gz SXFUYLOLJGYKOL-UHFFFAOYSA-N 0 0 380.517 3.562 10 0 GHAERN CCCOc1ccc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1OCC ZINC000162658386 843294654 /nfs/dbraw/zinc/29/46/54/843294654.db2.gz IBEVHJVCVHHHJO-UHFFFAOYSA-N 0 0 385.508 3.703 10 0 GHAERN CSc1cc(C(=O)N2CCCN(C(=O)c3cccs3)CC2)ccc1F ZINC000162674637 843295026 /nfs/dbraw/zinc/29/50/26/843295026.db2.gz GCVPNUZZWNFARV-UHFFFAOYSA-N 0 0 378.494 3.597 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000588452386 843308813 /nfs/dbraw/zinc/30/88/13/843308813.db2.gz VFENUOIHYOKMHD-HJWRWDBZSA-N 0 0 386.377 3.924 10 0 GHAERN CSCc1ccccc1NC(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588456260 843366846 /nfs/dbraw/zinc/36/68/46/843366846.db2.gz XAYCWWKVOWBGTL-XFXZXTDPSA-N 0 0 376.503 3.573 10 0 GHAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)c1)c1ccccc1 ZINC000330300587 843604576 /nfs/dbraw/zinc/60/45/76/843604576.db2.gz IOBRMWUYDQDRDN-MDKPJZGXSA-N 0 0 398.528 3.741 10 0 GHAERN CC(=O)N(C)C1CCN(C(=O)Nc2cc3sc(C)nc3cc2Cl)CC1 ZINC000408405313 843900582 /nfs/dbraw/zinc/90/05/82/843900582.db2.gz QKCISFBLFUTOJE-UHFFFAOYSA-N 0 0 380.901 3.733 10 0 GHAERN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408407044 843945622 /nfs/dbraw/zinc/94/56/22/843945622.db2.gz PGWUOYOMPFZFEO-DJJJIMSYSA-N 0 0 394.302 3.946 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)[C@H]1c1ccccc1 ZINC000246306653 844671281 /nfs/dbraw/zinc/67/12/81/844671281.db2.gz FUILRWXYPPNIRQ-FMWKFLBASA-N 0 0 386.536 3.554 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000246306668 844671397 /nfs/dbraw/zinc/67/13/97/844671397.db2.gz FUILRWXYPPNIRQ-JYAXBFRTSA-N 0 0 386.536 3.554 10 0 GHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000332946333 844671755 /nfs/dbraw/zinc/67/17/55/844671755.db2.gz WIWILSWQYPOZGB-GJZGRUSLSA-N 0 0 399.461 3.625 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000150984001 845093075 /nfs/dbraw/zinc/09/30/75/845093075.db2.gz RXNJHKDWXHBAGN-MOPGFXCFSA-N 0 0 399.491 3.882 10 0 GHAERN CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCCCC(C)(C)C1 ZINC000408442533 845324786 /nfs/dbraw/zinc/32/47/86/845324786.db2.gz LDROTUSVTAYPOV-UHFFFAOYSA-N 0 0 381.542 3.807 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000588487708 845593101 /nfs/dbraw/zinc/59/31/01/845593101.db2.gz HOMWGTWBGKKMHN-HJCTWCACSA-N 0 0 377.410 3.841 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cc1 ZINC000151889707 845953904 /nfs/dbraw/zinc/95/39/04/845953904.db2.gz LGZYEFCVIZLFJC-JSGCOSHPSA-N 0 0 382.386 3.864 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cc(C)ccc2Br)c2ccccc2)[nH]1 ZINC000151998082 846102944 /nfs/dbraw/zinc/10/29/44/846102944.db2.gz QRNIGLQIMDQAJV-MRXNPFEDSA-N 0 0 385.265 3.703 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)c1 ZINC000588525416 847414667 /nfs/dbraw/zinc/41/46/67/847414667.db2.gz YQYMLPMNJQAIHV-JIQDCKGJSA-N 0 0 397.478 3.925 10 0 GHAERN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000588536396 847835831 /nfs/dbraw/zinc/83/58/31/847835831.db2.gz OCZLNTKXJQOYTI-JYRVWZFOSA-N 0 0 392.521 3.787 10 0 GHAERN CC(=O)OCCCc1cccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000588555856 848547693 /nfs/dbraw/zinc/54/76/93/848547693.db2.gz NXFITUCWIAJXDS-QBFSEMIESA-N 0 0 377.437 3.734 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 ZINC000329115960 848610203 /nfs/dbraw/zinc/61/02/03/848610203.db2.gz SYTIQTXRQKDBFP-IAGOWNOFSA-N 0 0 387.480 3.697 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccccc1-n1cccn1 ZINC000154504952 849305930 /nfs/dbraw/zinc/30/59/30/849305930.db2.gz DBMGSTYCERNOLN-CVEARBPZSA-N 0 0 381.505 3.979 10 0 GHAERN O=C(Cc1cccc2ccccc21)N1CCC(C(=O)Nc2nccs2)CC1 ZINC000044453924 849502238 /nfs/dbraw/zinc/50/22/38/849502238.db2.gz QEZPFLDPEXRRIP-UHFFFAOYSA-N 0 0 379.485 3.716 10 0 GHAERN Cc1noc([C@@H]2COCCN2C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)n1 ZINC000155568294 849567018 /nfs/dbraw/zinc/56/70/18/849567018.db2.gz UDJPCVYPJXFGRQ-GBXSZLQWSA-N 0 0 399.394 3.603 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000588575515 849642656 /nfs/dbraw/zinc/64/26/56/849642656.db2.gz PQVYAIKMIWNQHE-SREVYHEPSA-N 0 0 384.879 3.954 10 0 GHAERN CC(C)=CC(=O)NCc1ccc(C(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000156108518 849768688 /nfs/dbraw/zinc/76/86/88/849768688.db2.gz XEOFMSQNRIVHFQ-UHFFFAOYSA-N 0 0 397.544 3.729 10 0 GHAERN C[C@H](C1CC1)n1nccc1NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000156373781 849874795 /nfs/dbraw/zinc/87/47/95/849874795.db2.gz JQJWWWCZDULRQW-MRXNPFEDSA-N 0 0 387.528 3.501 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000333682726 850395852 /nfs/dbraw/zinc/39/58/52/850395852.db2.gz AWSZDZMUHCQRIQ-XDNAFOTISA-N 0 0 390.549 3.513 10 0 GHAERN COc1ccc(Cl)c(NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000101750362 851869103 /nfs/dbraw/zinc/86/91/03/851869103.db2.gz LCODPWZNIRXHHN-CYBMUJFWSA-N 0 0 381.904 3.753 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000101771898 851898709 /nfs/dbraw/zinc/89/87/09/851898709.db2.gz GXTBVGQQUGVBCE-LSDHHAIUSA-N 0 0 379.932 3.983 10 0 GHAERN O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc2c(cc1Cl)OCCO2 ZINC000171241888 852221549 /nfs/dbraw/zinc/22/15/49/852221549.db2.gz ZMJLHZGADSMFDX-UWVGGRQHSA-N 0 0 399.818 3.511 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ccccc21 ZINC000329846867 862368666 /nfs/dbraw/zinc/36/86/66/862368666.db2.gz QXGBXKGEOFUHGI-PXNSSMCTSA-N 0 0 380.492 3.621 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246824317 853249751 /nfs/dbraw/zinc/24/97/51/853249751.db2.gz STEHWRXKCUKBFD-IKGGRYGDSA-N 0 0 391.302 3.672 10 0 GHAERN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000058339857 853356755 /nfs/dbraw/zinc/35/67/55/853356755.db2.gz QEYHKYLALBGZJD-CRAIPNDOSA-N 0 0 378.538 3.558 10 0 GHAERN O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171723815 853722381 /nfs/dbraw/zinc/72/23/81/853722381.db2.gz GACVYVFSHBTPLS-GJZGRUSLSA-N 0 0 389.546 3.606 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@H](N2CCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000334055901 853853244 /nfs/dbraw/zinc/85/32/44/853853244.db2.gz VDYRBZXRGBVZEA-PIYZVIGCSA-N 0 0 387.568 3.778 10 0 GHAERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000334072902 853905387 /nfs/dbraw/zinc/90/53/87/853905387.db2.gz IDPDIUMPMCPXGZ-SOUVJXGZSA-N 0 0 376.482 3.596 10 0 GHAERN COc1cc(CC(=O)NCc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000003603127 862515027 /nfs/dbraw/zinc/51/50/27/862515027.db2.gz ULYFVMXOPSTXTP-UHFFFAOYSA-N 0 0 384.259 3.878 10 0 GHAERN CCOc1cc2c(cc1NC(=O)N1CCC[C@@H](n3cc(C)cn3)C1)O[C@@H](C)C2 ZINC000171887813 854263528 /nfs/dbraw/zinc/26/35/28/854263528.db2.gz WIZCBPHVLYVWDW-DOTOQJQBSA-N 0 0 384.480 3.783 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000328737578 854521922 /nfs/dbraw/zinc/52/19/22/854521922.db2.gz LTWOJJALVPHGJY-JYJNAYRXSA-N 0 0 378.398 3.989 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)[nH]1 ZINC000328763026 854532531 /nfs/dbraw/zinc/53/25/31/854532531.db2.gz ZELJLTVVQULPGL-ILXRZTDVSA-N 0 0 394.397 3.869 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC3(CC3)C2)n1C[C@H]1CCCO1 ZINC000328768110 854534104 /nfs/dbraw/zinc/53/41/04/854534104.db2.gz QDQZBWTZCQHUQQ-SQNIBIBYSA-N 0 0 388.556 3.756 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCCN(C)[C@H]4C3)cc2)c1 ZINC000328935039 854608175 /nfs/dbraw/zinc/60/81/75/854608175.db2.gz FLTPAZPJKWIBOM-SFTDATJTSA-N 0 0 381.476 3.724 10 0 GHAERN Cc1cc2occ(CC(=O)N3CCC[C@H](Cn4cncn4)C3)c2cc1C(C)C ZINC000127035436 854778579 /nfs/dbraw/zinc/77/85/79/854778579.db2.gz ZYPLROWUUVHTME-KRWDZBQOSA-N 0 0 380.492 3.937 10 0 GHAERN Cc1cccc(COc2ccc(NC(=O)C(=O)NCc3cscn3)c(C)c2)c1 ZINC000105724487 855137490 /nfs/dbraw/zinc/13/74/90/855137490.db2.gz BCUSBDXJEHTFIX-UHFFFAOYSA-N 0 0 395.484 3.594 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NCCc3ccc4c(c3)CCO4)C2)n1 ZINC000172077187 855206183 /nfs/dbraw/zinc/20/61/83/855206183.db2.gz CEEXKBNOWULMDB-KRWDZBQOSA-N 0 0 385.533 3.772 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2oc3ccc(OC)cc3c2C)C[C@H]1C ZINC000190567119 855488924 /nfs/dbraw/zinc/48/89/24/855488924.db2.gz NRLFWZFYUUDKIS-IVMMDQJWSA-N 0 0 388.464 3.651 10 0 GHAERN O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000029247746 856031154 /nfs/dbraw/zinc/03/11/54/856031154.db2.gz OMLYKGKMFDGSDI-IBGZPJMESA-N 0 0 377.492 3.782 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000184894159 856132131 /nfs/dbraw/zinc/13/21/31/856132131.db2.gz MXLDLJCOTRONMK-HKUYNNGSSA-N 0 0 384.501 3.528 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c1C ZINC000031049690 856139385 /nfs/dbraw/zinc/13/93/85/856139385.db2.gz WQTJRIRVTJIDRG-HNNXBMFYSA-N 0 0 385.489 3.506 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000104769168 856397407 /nfs/dbraw/zinc/39/74/07/856397407.db2.gz ZFJYWTHZWSRBAU-KRWDZBQOSA-N 0 0 385.464 3.598 10 0 GHAERN Cn1nc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)cc1OC(F)F ZINC000185880881 856472099 /nfs/dbraw/zinc/47/20/99/856472099.db2.gz AYSCPDGROPIDDC-AWEZNQCLSA-N 0 0 377.391 3.588 10 0 GHAERN CCCOc1ccc(OCC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 ZINC000043975240 856615208 /nfs/dbraw/zinc/61/52/08/856615208.db2.gz IZVNGWOPHHOUPZ-IBGZPJMESA-N 0 0 398.507 3.536 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000044301084 856641624 /nfs/dbraw/zinc/64/16/24/856641624.db2.gz JREXWMUAERCKQB-DHZHZOJOSA-N 0 0 389.455 3.607 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000045865623 856777563 /nfs/dbraw/zinc/77/75/63/856777563.db2.gz VSGDBLSBCPWXSQ-XWPMGHRKSA-N 0 0 376.460 3.865 10 0 GHAERN Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217980 856996008 /nfs/dbraw/zinc/99/60/08/856996008.db2.gz YTMPXOHAWYAGGR-LJQANCHMSA-N 0 0 391.519 3.766 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000133441458 858809907 /nfs/dbraw/zinc/80/99/07/858809907.db2.gz XBKNNYQPMAUGBO-OAHLLOKOSA-N 0 0 381.505 3.578 10 0 GHAERN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000172879046 859490417 /nfs/dbraw/zinc/49/04/17/859490417.db2.gz DWGLZFLSFHSVGB-OAHLLOKOSA-N 0 0 392.931 3.570 10 0 GHAERN CN(C(=O)N[C@@H](c1ccccc1)C1CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152879009 860291886 /nfs/dbraw/zinc/29/18/86/860291886.db2.gz UYXDTXLGPWXXIZ-CTNGQTDRSA-N 0 0 379.508 3.628 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000173083439 860437000 /nfs/dbraw/zinc/43/70/00/860437000.db2.gz LDJUQUBHKVXKEO-AWEZNQCLSA-N 0 0 384.480 3.962 10 0 GHAERN O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173795002 860443204 /nfs/dbraw/zinc/44/32/04/860443204.db2.gz STEHWRXKCUKBFD-BRWVUGGUSA-N 0 0 391.302 3.672 10 0 GHAERN CCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)C1 ZINC000173949825 860444168 /nfs/dbraw/zinc/44/41/68/860444168.db2.gz ULASUHQFSRGQQX-HOTGVXAUSA-N 0 0 377.554 3.621 10 0 GHAERN CCOc1ccc(NC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1F ZINC000102532265 860754971 /nfs/dbraw/zinc/75/49/71/860754971.db2.gz GUENVVRDFBUDJW-HNNXBMFYSA-N 0 0 387.455 3.881 10 0 GHAERN COC(=O)c1ccccc1N(C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000102833574 860875980 /nfs/dbraw/zinc/87/59/80/860875980.db2.gz FKZLYABVARNYOL-UHFFFAOYSA-N 0 0 377.444 3.611 10 0 GHAERN COC(=O)C[C@@H](NC(=O)c1cccc2ncccc21)c1ccc(SC)cc1 ZINC000102859022 860881919 /nfs/dbraw/zinc/88/19/19/860881919.db2.gz MZTSWTOLUGXYHS-LJQANCHMSA-N 0 0 380.469 3.991 10 0 GHAERN COc1ccc(-c2cnc(C[S@](=O)Cc3cccc(C(=O)N(C)C)c3)o2)cc1 ZINC000102947087 860912999 /nfs/dbraw/zinc/91/29/99/860912999.db2.gz DYVPZYJXSLYYMY-NDEPHWFRSA-N 0 0 398.484 3.501 10 0 GHAERN CC1(C)CCCN1C(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000102959447 860920156 /nfs/dbraw/zinc/92/01/56/860920156.db2.gz ITBCYZNTEYIUMZ-CQSZACIVSA-N 0 0 380.330 3.859 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 ZINC000329107784 861024024 /nfs/dbraw/zinc/02/40/24/861024024.db2.gz PHFIFVOYEOUXAC-ROUUACIJSA-N 0 0 383.517 3.554 10 0 GHAERN CC(C)[C@H](CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1 ZINC000103075850 863885937 /nfs/dbraw/zinc/88/59/37/863885937.db2.gz QQWKYRQTHRSDJK-SFHVURJKSA-N 0 0 390.478 3.752 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000103273348 863937131 /nfs/dbraw/zinc/93/71/31/863937131.db2.gz PAWMBPJEJKWPBJ-YJYMSZOUSA-N 0 0 388.427 3.696 10 0 GHAERN COc1ccc(OC)c([C@@H](C)NC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000103294287 863943607 /nfs/dbraw/zinc/94/36/07/863943607.db2.gz GDEVCHSXTYUTPU-GFCCVEGCSA-N 0 0 381.436 3.680 10 0 GHAERN C[C@H](c1cccc(F)c1)N1CCN(C(=O)c2ccn(-c3ccccc3)n2)CC1 ZINC000103974417 864141350 /nfs/dbraw/zinc/14/13/50/864141350.db2.gz FMEBOJJMXGTWHN-QGZVFWFLSA-N 0 0 378.451 3.530 10 0 GHAERN CCOC(=O)c1csc(NC(=O)C(C)(C)c2cccc(Br)c2)n1 ZINC000102216092 881889262 /nfs/dbraw/zinc/88/92/62/881889262.db2.gz SFEJATSMGAGVFQ-UHFFFAOYSA-N 0 0 397.294 3.999 10 0 GHAERN CCCc1nc([C@H](Nc2ccc3nnc(C(F)F)n3n2)c2ccccc2)no1 ZINC000301949685 865624808 /nfs/dbraw/zinc/62/48/08/865624808.db2.gz FYEIKMXPYQYGEA-OAHLLOKOSA-N 0 0 385.378 3.599 10 0 GHAERN CCCc1nc([C@@H](Nc2ccc3nnc(C(F)F)n3n2)c2ccccc2)no1 ZINC000301949682 865624836 /nfs/dbraw/zinc/62/48/36/865624836.db2.gz FYEIKMXPYQYGEA-HNNXBMFYSA-N 0 0 385.378 3.599 10 0 GHAERN Fc1ccccc1Cc1nnc(N2CCC(c3noc(C4CC4)n3)CC2)s1 ZINC000302151063 865736239 /nfs/dbraw/zinc/73/62/39/865736239.db2.gz BOFGWVMNORTUBF-UHFFFAOYSA-N 0 0 385.468 3.912 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3oc4c(c3C)c(C)ccc4C)CCO2)n1 ZINC000110900289 866661959 /nfs/dbraw/zinc/66/19/59/866661959.db2.gz NYXFOKDJEBPTBM-SFHVURJKSA-N 0 0 381.476 3.713 10 0 GHAERN Cc1ncc(CN2CCN(C(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)s1 ZINC000110940776 866663433 /nfs/dbraw/zinc/66/34/33/866663433.db2.gz OGROGKUACJPTHD-UHFFFAOYSA-N 0 0 394.544 3.770 10 0 GHAERN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1cccc(-c2ncon2)c1 ZINC000170632401 882043700 /nfs/dbraw/zinc/04/37/00/882043700.db2.gz WDGBPPSWNUHGBO-UHFFFAOYSA-N 0 0 388.383 3.941 10 0 GHAERN CCCCC[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccccc1 ZINC000170825422 882059958 /nfs/dbraw/zinc/05/99/58/882059958.db2.gz OOILCEULPWHBBJ-IBGZPJMESA-N 0 0 378.480 3.783 10 0 GHAERN Cn1nc(CC(C)(C)C)cc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000170975034 882084062 /nfs/dbraw/zinc/08/40/62/882084062.db2.gz BQFMMSGZBJOWHA-UHFFFAOYSA-N 0 0 388.537 3.561 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3cc(C)oc3C)CC2)cc1 ZINC000171292485 882094853 /nfs/dbraw/zinc/09/48/53/882094853.db2.gz WIBHVSKTUWDNOV-JXMROGBWSA-N 0 0 396.487 3.729 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCN1c1nccs1 ZINC000245593545 867669618 /nfs/dbraw/zinc/66/96/18/867669618.db2.gz MELOIQRVNGNJIP-BZUAXINKSA-N 0 0 395.887 3.551 10 0 GHAERN CCCn1ccc2cc(NC(=O)NC3CCN(c4ncccn4)CC3)ccc21 ZINC000171405679 882123130 /nfs/dbraw/zinc/12/31/30/882123130.db2.gz UGVPFCHXAMPGGR-UHFFFAOYSA-N 0 0 378.480 3.632 10 0 GHAERN CC[C@H](NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1cccs1 ZINC000171653297 882121351 /nfs/dbraw/zinc/12/13/51/882121351.db2.gz FSJHYUWRRXFWMN-KRWDZBQOSA-N 0 0 377.554 3.879 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1)c1cccs1 ZINC000171653300 882121503 /nfs/dbraw/zinc/12/15/03/882121503.db2.gz FSJHYUWRRXFWMN-QGZVFWFLSA-N 0 0 377.554 3.879 10 0 GHAERN COc1cc(CCC(=O)N2CCC(Cc3ccccn3)CC2)cc(OC)c1OC ZINC000171609845 882145395 /nfs/dbraw/zinc/14/53/95/882145395.db2.gz DROLRXFCLRAGFO-UHFFFAOYSA-N 0 0 398.503 3.521 10 0 GHAERN O=C(c1cccnc1OCC(F)(F)F)N1CCC(Cc2ccccn2)CC1 ZINC000171612312 882145565 /nfs/dbraw/zinc/14/55/65/882145565.db2.gz YXFLWBKTSUPIAU-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN O=C(NCCc1ccccn1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172235334 882190102 /nfs/dbraw/zinc/19/01/02/882190102.db2.gz VKUVFEJODHHXDM-GOSISDBHSA-N 0 0 375.476 3.603 10 0 GHAERN O=C(N[C@@H](Cc1ccccc1)C1CC1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000172495375 882288874 /nfs/dbraw/zinc/28/88/74/882288874.db2.gz WWIRQVGJELPRRH-UXHICEINSA-N 0 0 389.503 3.640 10 0 GHAERN CC[C@@](C)(NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc(C)cs1 ZINC000172717497 882302469 /nfs/dbraw/zinc/30/24/69/882302469.db2.gz SCWYDQVRYDGBAP-LJQANCHMSA-N 0 0 391.562 3.807 10 0 GHAERN CC[C@H](C)Oc1ccc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172878958 882316668 /nfs/dbraw/zinc/31/66/68/882316668.db2.gz IAOQSPCUXMSCPW-INIZCTEOSA-N 0 0 381.476 3.750 10 0 GHAERN CCCOc1cc(C)ccc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172840324 882313311 /nfs/dbraw/zinc/31/33/11/882313311.db2.gz LQCACTCJRLDKQR-LJQANCHMSA-N 0 0 381.476 3.812 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1Cl ZINC000173073058 882319397 /nfs/dbraw/zinc/31/93/97/882319397.db2.gz LXFUTGXEWDIMDC-ZDUSSCGKSA-N 0 0 389.858 3.604 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1OC ZINC000173080755 882320161 /nfs/dbraw/zinc/32/01/61/882320161.db2.gz DWVNJRUOSSQNQN-PXUDHTSWSA-N 0 0 385.464 3.977 10 0 GHAERN Cn1cc(/C=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)c2ccccc21 ZINC000173118162 882351616 /nfs/dbraw/zinc/35/16/16/882351616.db2.gz YZOCADOTUKWIDT-MDZDMXLPSA-N 0 0 385.471 3.640 10 0 GHAERN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3cn(C)c4ccccc34)CC2)C1 ZINC000173476384 882363368 /nfs/dbraw/zinc/36/33/68/882363368.db2.gz LGBOEHWZJKKSBG-QZEKMECESA-N 0 0 393.531 3.689 10 0 GHAERN Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000173701422 882393296 /nfs/dbraw/zinc/39/32/96/882393296.db2.gz YGYZZAPJZVXXNW-UHFFFAOYSA-N 0 0 395.503 3.905 10 0 GHAERN CCCc1noc(CSCC(=O)N2CCC[C@H]2c2ccc(OC)cc2)n1 ZINC000173779347 882403032 /nfs/dbraw/zinc/40/30/32/882403032.db2.gz UUFINEJFEGRSER-INIZCTEOSA-N 0 0 375.494 3.628 10 0 GHAERN CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046494420 870435663 /nfs/dbraw/zinc/43/56/63/870435663.db2.gz RYKXMDBRAYRXRE-LEWJYISDSA-N 0 0 390.487 3.902 10 0 GHAERN CC(=O)N[C@H](CC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccc(C)cc1 ZINC000174068035 882421117 /nfs/dbraw/zinc/42/11/17/882421117.db2.gz BETNNQLKIUSBAS-JOCHJYFZSA-N 0 0 397.494 3.805 10 0 GHAERN COc1cccc(C2(CNC(=O)N3CCC[C@H]3c3cnn(C)c3)CCCC2)c1 ZINC000108584457 870644725 /nfs/dbraw/zinc/64/47/25/870644725.db2.gz HCLHVZLJJWRTQV-FQEVSTJZSA-N 0 0 382.508 3.787 10 0 GHAERN O=C(Oc1ccc(C(=O)N2CCCC2)cc1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000103044601 871133608 /nfs/dbraw/zinc/13/36/08/871133608.db2.gz VFGJYAPHAPIHHQ-UHFFFAOYSA-N 0 0 395.846 3.981 10 0 GHAERN CC(C)(NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)c1ccc(F)cc1 ZINC000103130421 871354313 /nfs/dbraw/zinc/35/43/13/871354313.db2.gz TYEIICLEYMWEPI-OAHLLOKOSA-N 0 0 376.378 3.508 10 0 GHAERN Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1N1CCOC1=O ZINC000174951917 882509476 /nfs/dbraw/zinc/50/94/76/882509476.db2.gz NSXBAHPXUHWFGW-CQSZACIVSA-N 0 0 386.477 3.820 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)NC3CCN(c4cccc(C)n4)CC3)C2)n1 ZINC000175027446 882516834 /nfs/dbraw/zinc/51/68/34/882516834.db2.gz WRYFVSJLEALJCA-KRWDZBQOSA-N 0 0 399.564 3.713 10 0 GHAERN O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000175035224 882518580 /nfs/dbraw/zinc/51/85/80/882518580.db2.gz QNQKYUVQQLYZBR-DHLKQENFSA-N 0 0 394.559 3.922 10 0 GHAERN O=C(OCc1nccn1CC(F)(F)F)c1cnn(-c2cccc(Cl)c2)c1 ZINC000103219783 871495182 /nfs/dbraw/zinc/49/51/82/871495182.db2.gz WYCPTEUHMCQBBP-UHFFFAOYSA-N 0 0 384.745 3.642 10 0 GHAERN COCCCOc1cccc(CN2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000093385968 882524471 /nfs/dbraw/zinc/52/44/71/882524471.db2.gz IDCZABROEXUJTK-UHFFFAOYSA-N 0 0 388.533 3.512 10 0 GHAERN Cc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2cnn(C)c2n1 ZINC000175084845 882522064 /nfs/dbraw/zinc/52/20/64/882522064.db2.gz DRACVQWCESWFNG-UHFFFAOYSA-N 0 0 391.500 3.906 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1noc(Cc2ccccc2)n1 ZINC000175302318 882540005 /nfs/dbraw/zinc/54/00/05/882540005.db2.gz LOGIJNUBWBPPRW-YOEHRIQHSA-N 0 0 378.432 3.544 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)C(C)(C)c1ccccc1 ZINC000175352759 882544305 /nfs/dbraw/zinc/54/43/05/882544305.db2.gz NMAQEZQQEOGRCX-OAQYLSRUSA-N 0 0 398.551 3.521 10 0 GHAERN CC(C)(C)c1noc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)n1 ZINC000103413019 871910550 /nfs/dbraw/zinc/91/05/50/871910550.db2.gz HQAQBOZIGUXWDL-UHFFFAOYSA-N 0 0 390.827 3.747 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N3CCc4[nH]c5ccccc5c4C3)CC2)nc1 ZINC000175278951 882564406 /nfs/dbraw/zinc/56/44/06/882564406.db2.gz HDTIVZKKPBPNQV-UHFFFAOYSA-N 0 0 389.503 3.608 10 0 GHAERN CNC(=O)[C@@H]1CCCN(C(=O)N[C@H](c2cccs2)c2ccc(Cl)cc2)C1 ZINC000114935595 872113950 /nfs/dbraw/zinc/11/39/50/872113950.db2.gz APQITABHMSHEMX-PBHICJAKSA-N 0 0 391.924 3.659 10 0 GHAERN CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000175526903 882594986 /nfs/dbraw/zinc/59/49/86/882594986.db2.gz UKKFAUONDOVIHA-NRFANRHFSA-N 0 0 398.551 3.566 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175567124 882598915 /nfs/dbraw/zinc/59/89/15/882598915.db2.gz IIQOWOGFTROZQH-DHZHZOJOSA-N 0 0 396.397 3.602 10 0 GHAERN Cc1cc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c2cnn(C)c2n1 ZINC000175628703 882607211 /nfs/dbraw/zinc/60/72/11/882607211.db2.gz CUCGPVOEDBDHMC-UGSOOPFHSA-N 0 0 384.867 3.532 10 0 GHAERN CCC(CC)c1cc(CNC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)on1 ZINC000175901606 882613367 /nfs/dbraw/zinc/61/33/67/882613367.db2.gz HOBZTEFGCOOILL-INIZCTEOSA-N 0 0 396.495 3.710 10 0 GHAERN CC(C)(CNC(=O)[C@H]1CCCn2ccnc21)c1ccc(Br)cc1 ZINC000176028809 882659782 /nfs/dbraw/zinc/65/97/82/882659782.db2.gz HDMUEXGFNZXXCH-HNNXBMFYSA-N 0 0 376.298 3.617 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCN(C3CC3)CC2)s1)Nc1ccccc1 ZINC000176152669 882670863 /nfs/dbraw/zinc/67/08/63/882670863.db2.gz FGKLKVHZIWINSJ-UHFFFAOYSA-N 0 0 384.505 3.702 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC(OCC2CCCC2)CC1 ZINC000176448427 882694664 /nfs/dbraw/zinc/69/46/64/882694664.db2.gz XQHFFHKJQSOGQB-IBGZPJMESA-N 0 0 388.533 3.687 10 0 GHAERN COc1ccc([C@H](C)CC(=O)N2CCCN(C(=O)c3cccs3)CC2)cc1 ZINC000176471156 882697187 /nfs/dbraw/zinc/69/71/87/882697187.db2.gz XWYHUUAJROBBDE-MRXNPFEDSA-N 0 0 386.517 3.625 10 0 GHAERN CCc1ccc(C(C)(C)CNC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000176644734 882721441 /nfs/dbraw/zinc/72/14/41/882721441.db2.gz GIRGCAMKUGDAHJ-UHFFFAOYSA-N 0 0 393.531 3.590 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1F ZINC000176662256 882722510 /nfs/dbraw/zinc/72/25/10/882722510.db2.gz FEOVVYAITWOEMJ-DOTOQJQBSA-N 0 0 381.455 3.827 10 0 GHAERN CC(=O)c1cc(Br)ccc1OC(=O)COCCOc1ccccc1 ZINC000102711190 873472132 /nfs/dbraw/zinc/47/21/32/873472132.db2.gz UITRGNZNVLNUCM-UHFFFAOYSA-N 0 0 393.233 3.653 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102729374 873515926 /nfs/dbraw/zinc/51/59/26/873515926.db2.gz CYMGAZDBPWFDNA-KDOFPFPSSA-N 0 0 397.450 3.509 10 0 GHAERN Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000176782993 882733492 /nfs/dbraw/zinc/73/34/92/882733492.db2.gz KRMLJHUHQUYTLJ-INIZCTEOSA-N 0 0 390.439 3.592 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)cc1 ZINC000116654942 873611566 /nfs/dbraw/zinc/61/15/66/873611566.db2.gz RFILOSQEYHCTLW-UHFFFAOYSA-N 0 0 392.499 3.801 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NC[C@H]2CCN(C)c3ccccc32)no1 ZINC000177436134 882798143 /nfs/dbraw/zinc/79/81/43/882798143.db2.gz SOPBAUVDTASHAK-CRAIPNDOSA-N 0 0 383.496 3.663 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177512540 882810313 /nfs/dbraw/zinc/81/03/13/882810313.db2.gz CDWSYZJLHKEQBZ-CYBMUJFWSA-N 0 0 396.472 3.506 10 0 GHAERN C[C@@H](NC(=O)N1CC=C(c2cccs2)CC1)c1ccc(-n2cncn2)cc1 ZINC000117955648 874281756 /nfs/dbraw/zinc/28/17/56/874281756.db2.gz XWCRWDDCMXSXLK-OAHLLOKOSA-N 0 0 379.489 3.889 10 0 GHAERN Cc1cccc(-c2ccc(CNC(=O)N3CCC(n4cncn4)CC3)cc2)c1 ZINC000118050847 874320540 /nfs/dbraw/zinc/32/05/40/874320540.db2.gz KYHUEBFCCCDMRP-UHFFFAOYSA-N 0 0 375.476 3.800 10 0 GHAERN Clc1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)c2c(c1)COCO2 ZINC000177589168 882834873 /nfs/dbraw/zinc/83/48/73/882834873.db2.gz YQHVUCUAWQTPJB-LJQANCHMSA-N 0 0 381.900 3.757 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)C1 ZINC000152407601 882882318 /nfs/dbraw/zinc/88/23/18/882882318.db2.gz OTKKQNYAMZXPTG-ROUUACIJSA-N 0 0 398.507 3.715 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000105041996 875016731 /nfs/dbraw/zinc/01/67/31/875016731.db2.gz TVWXMKVQAVGLQP-UHFFFAOYSA-N 0 0 387.484 3.748 10 0 GHAERN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119226489 875026712 /nfs/dbraw/zinc/02/67/12/875026712.db2.gz IPEAWDDONJBLLQ-SNVBAGLBSA-N 0 0 398.454 3.527 10 0 GHAERN CCC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000178363075 882908285 /nfs/dbraw/zinc/90/82/85/882908285.db2.gz CLTFIUUSOUTIBZ-UHFFFAOYSA-N 0 0 382.435 3.909 10 0 GHAERN O=C(NCC1(Cc2ccccc2)CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000178753144 882918094 /nfs/dbraw/zinc/91/80/94/882918094.db2.gz KBZRJHWFZCCYRS-UHFFFAOYSA-N 0 0 382.529 3.739 10 0 GHAERN O=C(c1cccs1)N1CCC(c2nc(-c3ccc4c(c3)CCO4)no2)CC1 ZINC000178927761 882937081 /nfs/dbraw/zinc/93/70/81/882937081.db2.gz MJSXKUYNTCQFBF-UHFFFAOYSA-N 0 0 381.457 3.753 10 0 GHAERN O=C(c1ncncc1Cl)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178837676 882958450 /nfs/dbraw/zinc/95/84/50/882958450.db2.gz RZGFZZOYDHUOIW-MRVPVSSYSA-N 0 0 376.791 3.625 10 0 GHAERN CCN(CC)C(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)cc1 ZINC000179378539 882967328 /nfs/dbraw/zinc/96/73/28/882967328.db2.gz JYBDGXMNLDWZMT-LJQANCHMSA-N 0 0 385.464 3.675 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCc3ccc(Cl)cc3C2)CC1 ZINC000179165110 882976815 /nfs/dbraw/zinc/97/68/15/882976815.db2.gz FVDSQMUVQZRMKZ-UHFFFAOYSA-N 0 0 388.920 3.839 10 0 GHAERN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000120406888 876021831 /nfs/dbraw/zinc/02/18/31/876021831.db2.gz WCALFZJQIJUCQS-MBSDFSHPSA-N 0 0 396.450 3.895 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)NC2CCC(O)CC2)C3)cs1 ZINC000179726764 882996187 /nfs/dbraw/zinc/99/61/87/882996187.db2.gz BIOGIHLCOZSIEX-UHFFFAOYSA-N 0 0 377.535 3.551 10 0 GHAERN O=C(NCc1cccc(CN2CCCC2=O)c1)Nc1c[nH]nc1-c1ccccc1 ZINC000179499409 883003577 /nfs/dbraw/zinc/00/35/77/883003577.db2.gz WWHIKJGCPTYRFK-UHFFFAOYSA-N 0 0 389.459 3.521 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)Nc1nnc(/C=C/c2ccco2)s1 ZINC000179612486 883014427 /nfs/dbraw/zinc/01/44/27/883014427.db2.gz SYXHXIDRXWCKOU-NPQIQWPPSA-N 0 0 395.444 3.549 10 0 GHAERN C[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000179814795 883029788 /nfs/dbraw/zinc/02/97/88/883029788.db2.gz OIFBRDLGMMNPJZ-QWHCGFSZSA-N 0 0 389.452 3.691 10 0 GHAERN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1nnc(-c2ccccc2)o1 ZINC000179814654 883030152 /nfs/dbraw/zinc/03/01/52/883030152.db2.gz OIFBRDLGMMNPJZ-STQMWFEESA-N 0 0 389.452 3.691 10 0 GHAERN O=C(CCc1nc(C2CCCC2)no1)N1CCC(Nc2ccccc2F)CC1 ZINC000121219658 876660278 /nfs/dbraw/zinc/66/02/78/876660278.db2.gz ACBKQZSVCIQCLA-UHFFFAOYSA-N 0 0 386.471 3.902 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4ncn(C)n4)cc3)C2)cc1 ZINC000180225695 883068831 /nfs/dbraw/zinc/06/88/31/883068831.db2.gz JUVABTGQHPDKKT-HNAYVOBHSA-N 0 0 376.460 3.509 10 0 GHAERN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(F)cc3[nH]c(=S)[nH]c32)C1 ZINC000097505462 883085942 /nfs/dbraw/zinc/08/59/42/883085942.db2.gz WWEDYIGFUFHZKM-LBPRGKRZSA-N 0 0 398.463 3.855 10 0 GHAERN COC(=O)[C@H](c1cccnc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716629 877678974 /nfs/dbraw/zinc/67/89/74/877678974.db2.gz MADRXKNYGJYUDB-ICSRJNTNSA-N 0 0 376.460 3.565 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnc(-c4ncccn4)s3)C2)cc1 ZINC000122004593 878219814 /nfs/dbraw/zinc/21/98/14/878219814.db2.gz JNSHHCXSBAZUHU-HIFRSBDPSA-N 0 0 380.473 3.627 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCOC4=O)c3)C2)cc1 ZINC000122217095 878562522 /nfs/dbraw/zinc/56/25/22/878562522.db2.gz DXCDHQOSZQGCCX-CRAIPNDOSA-N 0 0 380.444 3.670 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000122395592 878792727 /nfs/dbraw/zinc/79/27/27/878792727.db2.gz UVYQWKIXMNPMCF-CQSZACIVSA-N 0 0 397.401 3.686 10 0 GHAERN C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@]3(C)O)cc2NC1=O ZINC000285663889 879582096 /nfs/dbraw/zinc/58/20/96/879582096.db2.gz VBGNGJQLASBQBG-GHESNWTDSA-N 0 0 388.533 3.665 10 0 GHAERN Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)/C=C/c2c(F)cccc2F)o1 ZINC000122871163 879591580 /nfs/dbraw/zinc/59/15/80/879591580.db2.gz LSZTWCHLYWFDIG-YXBWYFRISA-N 0 0 381.382 3.996 10 0 GHAERN C[C@]1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1(Cl)Cl ZINC000181345309 883141901 /nfs/dbraw/zinc/14/19/01/883141901.db2.gz QOUXPZZFMAKBCA-CXAGYDPISA-N 0 0 379.291 3.762 10 0 GHAERN C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1)c1nc2ccccc2o1 ZINC000181733510 883177082 /nfs/dbraw/zinc/17/70/82/883177082.db2.gz INNYEBCZMOETLW-YOEHRIQHSA-N 0 0 379.416 3.522 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)NCC3(c4ccc(F)cc4)CC3)C2)c1 ZINC000102445255 883211420 /nfs/dbraw/zinc/21/14/20/883211420.db2.gz MHXLZVXEGLOCOW-QGZVFWFLSA-N 0 0 397.494 3.692 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000182367153 883217749 /nfs/dbraw/zinc/21/77/49/883217749.db2.gz CSYSFEQQEYITLA-PKOBYXMFSA-N 0 0 395.507 3.779 10 0 GHAERN CCCOc1ccc(CNC(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000102447611 883230604 /nfs/dbraw/zinc/23/06/04/883230604.db2.gz VZYDNVKNFRWSQA-IBGZPJMESA-N 0 0 397.519 3.810 10 0 GHAERN O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183069345 883259960 /nfs/dbraw/zinc/25/99/60/883259960.db2.gz VEOBBLHGMLKSOX-INIZCTEOSA-N 0 0 382.399 3.890 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)CCO1 ZINC000183470527 883267381 /nfs/dbraw/zinc/26/73/81/883267381.db2.gz ZQOGSLSOVMZTSC-MSOLQXFVSA-N 0 0 392.565 3.700 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)c1C ZINC000184013044 883297684 /nfs/dbraw/zinc/29/76/84/883297684.db2.gz HHHUQFIRLVHOTE-CQSZACIVSA-N 0 0 376.844 3.917 10 0 GHAERN CCc1ccccc1CNC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184020064 883298928 /nfs/dbraw/zinc/29/89/28/883298928.db2.gz FSOAPFMELWJYTD-OAQYLSRUSA-N 0 0 383.467 3.681 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCO[C@@H](c3ccco3)C2)c1C ZINC000184043159 883304187 /nfs/dbraw/zinc/30/41/87/883304187.db2.gz MJTGNCJVBNQHCW-OAHLLOKOSA-N 0 0 378.812 3.633 10 0 GHAERN O=C(CN1CCCN(c2ccccn2)CC1)Nc1c(Cl)cccc1Cl ZINC000183818254 883304392 /nfs/dbraw/zinc/30/43/92/883304392.db2.gz JWVFVALTJMUVNN-UHFFFAOYSA-N 0 0 379.291 3.539 10 0 GHAERN CCc1onc(C)c1C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000184704614 883380214 /nfs/dbraw/zinc/38/02/14/883380214.db2.gz UZIHHZQXOYOXAL-OAHLLOKOSA-N 0 0 379.254 3.522 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000184974007 883409013 /nfs/dbraw/zinc/40/90/13/883409013.db2.gz IXOUXMDROZQVKQ-AZUAARDMSA-N 0 0 388.895 3.589 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CCCC[C@H]2C(C)C)c2ccc(F)cc2C1 ZINC000185246766 883429639 /nfs/dbraw/zinc/42/96/39/883429639.db2.gz GUEKJNRSGMUMMV-PMACEKPBSA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2SCCc3ccccc32)c2ccc(F)cc2C1 ZINC000185513877 883549110 /nfs/dbraw/zinc/54/91/10/883549110.db2.gz SDEPZHPPWPVNNV-NHCUHLMSSA-N 0 0 398.503 3.766 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2ccc(C)c(C)c2)c2ccc(F)cc2C1 ZINC000185535745 883551692 /nfs/dbraw/zinc/55/16/92/883551692.db2.gz OSPOWNDZMLBIBO-QFIPXVFZSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2C1 ZINC000185538857 883552806 /nfs/dbraw/zinc/55/28/06/883552806.db2.gz ASKQOEOOBVSPEP-QGZVFWFLSA-N 0 0 377.366 3.719 10 0 GHAERN CS[C@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185558482 883556609 /nfs/dbraw/zinc/55/66/09/883556609.db2.gz LRTZENRYRDHGBK-UXHICEINSA-N 0 0 386.492 3.840 10 0 GHAERN CN1Cc2cc(NC(=O)c3ccc(C(F)(F)F)nc3Cl)ccc2NC1=O ZINC000185951255 883591286 /nfs/dbraw/zinc/59/12/86/883591286.db2.gz LFLQUNDEZBMJSM-UHFFFAOYSA-N 0 0 384.745 3.983 10 0 GHAERN CN1Cc2cc(NC(=O)/C=C/c3c(Cl)nc4sccn34)ccc2NC1=O ZINC000185939431 883591394 /nfs/dbraw/zinc/59/13/94/883591394.db2.gz CFIMWJCNBCXWIH-SNAWJCMRSA-N 0 0 387.852 3.678 10 0 GHAERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000186062910 883608199 /nfs/dbraw/zinc/60/81/99/883608199.db2.gz CHMXGCPZRSHINH-AWEZNQCLSA-N 0 0 385.464 3.537 10 0 GHAERN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186596061 883666987 /nfs/dbraw/zinc/66/69/87/883666987.db2.gz OAEMFYQYYAIFJJ-LJQANCHMSA-N 0 0 382.464 3.560 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2COc3cc(C)c(C)cc32)c2ccc(F)cc2C1 ZINC000186747905 883698455 /nfs/dbraw/zinc/69/84/55/883698455.db2.gz PLZNVKDJEHHERU-NHCUHLMSSA-N 0 0 396.462 3.528 10 0 GHAERN Cc1cc(NC(=O)N2CCC(Nc3nccs3)CC2)n(Cc2ccccc2)n1 ZINC000186741647 883698817 /nfs/dbraw/zinc/69/88/17/883698817.db2.gz ZXVSFTRZPFGVJP-UHFFFAOYSA-N 0 0 396.520 3.805 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000186926399 883717268 /nfs/dbraw/zinc/71/72/68/883717268.db2.gz JDWBNDNIIUBETA-CQSZACIVSA-N 0 0 384.954 3.970 10 0 GHAERN COc1c(Br)cccc1CN[C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000187194645 883760955 /nfs/dbraw/zinc/76/09/55/883760955.db2.gz BOOKVNWUOBWIEI-MRXNPFEDSA-N 0 0 387.281 3.763 10 0 GHAERN COCCOc1cccc(/C=C/C(=O)N2CCC(c3nc(C)cs3)CC2)c1 ZINC000187688166 883813664 /nfs/dbraw/zinc/81/36/64/883813664.db2.gz KZCAJKDVRAFTNC-VOTSOKGWSA-N 0 0 386.517 3.896 10 0 GHAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1Cl ZINC000188085507 883822857 /nfs/dbraw/zinc/82/28/57/883822857.db2.gz JKAFNLPHMOEHLA-GFCCVEGCSA-N 0 0 394.306 3.813 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)Nc1ccc(N2CCOCC2)cc1C ZINC000188575032 883857739 /nfs/dbraw/zinc/85/77/39/883857739.db2.gz UEWCDDNEWTXIAS-FQEVSTJZSA-N 0 0 381.476 3.785 10 0 GHAERN COCCOc1cc(C)ccc1NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000188635564 883867945 /nfs/dbraw/zinc/86/79/45/883867945.db2.gz LBCKKLRJMQAHBI-UHFFFAOYSA-N 0 0 390.509 3.585 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000188977493 883894282 /nfs/dbraw/zinc/89/42/82/883894282.db2.gz UMRSSGJPBBDLAA-UHFFFAOYSA-N 0 0 386.377 3.634 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Nc3nccs3)CC2)c(Br)n1 ZINC000189195690 883911610 /nfs/dbraw/zinc/91/16/10/883911610.db2.gz ZSCDLVMHUZIZBF-UHFFFAOYSA-N 0 0 396.314 3.717 10 0 GHAERN O=C(c1cc2sccc2[nH]1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000189235904 883915918 /nfs/dbraw/zinc/91/59/18/883915918.db2.gz JJPLEZPPQQWEFQ-AWEZNQCLSA-N 0 0 379.485 3.986 10 0 GHAERN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCCc1cnn(C)c1 ZINC000102621877 883931517 /nfs/dbraw/zinc/93/15/17/883931517.db2.gz HQULVOSAWPHIBR-UHFFFAOYSA-N 0 0 382.411 3.720 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000189363550 883940460 /nfs/dbraw/zinc/94/04/60/883940460.db2.gz YRACTXRNNFKXGQ-ROUUACIJSA-N 0 0 389.540 3.946 10 0 GHAERN O=C(Nc1ccnn1Cc1ccccc1F)N1CCC(O)(c2ccccc2)CC1 ZINC000189595428 883966007 /nfs/dbraw/zinc/96/60/07/883966007.db2.gz DXNFDIRCFPJGAK-UHFFFAOYSA-N 0 0 394.450 3.586 10 0 GHAERN CCn1cc([C@@H]2CN(C(=O)N[C@H]3c4ccccc4CCC3(C)C)CCO2)cn1 ZINC000189659374 883983875 /nfs/dbraw/zinc/98/38/75/883983875.db2.gz IRPSOSSEFQZZGC-PMACEKPBSA-N 0 0 382.508 3.700 10 0 GHAERN CC(C)S(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189856485 884017097 /nfs/dbraw/zinc/01/70/97/884017097.db2.gz CERHFRYUHZWGFW-UHFFFAOYSA-N 0 0 399.512 3.577 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)cs1 ZINC000190009448 884042361 /nfs/dbraw/zinc/04/23/61/884042361.db2.gz QACDOGWIKIZBMY-INIZCTEOSA-N 0 0 399.545 3.671 10 0 GHAERN CCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000190276745 884063246 /nfs/dbraw/zinc/06/32/46/884063246.db2.gz BHNIHIYYTCGENU-OAHLLOKOSA-N 0 0 393.455 3.778 10 0 GHAERN O=C(c1ccn(-c2cccc(Cl)c2)n1)N1CCC(Nc2nccs2)CC1 ZINC000190372888 884072574 /nfs/dbraw/zinc/07/25/74/884072574.db2.gz JJWUOSHZRYERKU-UHFFFAOYSA-N 0 0 387.896 3.699 10 0 GHAERN Cc1cccc(C(=O)N2CCC(Nc3nccs3)CC2)c1Br ZINC000190388793 884075059 /nfs/dbraw/zinc/07/50/59/884075059.db2.gz JYWIPSWUBXSMIK-UHFFFAOYSA-N 0 0 380.311 3.931 10 0 GHAERN Cc1ccc(C2N=NC(=S)N2Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cc1 ZINC000190391927 884075257 /nfs/dbraw/zinc/07/52/57/884075257.db2.gz VMPRQQAQUBYQBU-HOCLYGCPSA-N 0 0 399.520 3.892 10 0 GHAERN CCOc1ccccc1OCCCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190417847 884078781 /nfs/dbraw/zinc/07/87/81/884078781.db2.gz UYGXHLOXZMYXFV-UHFFFAOYSA-N 0 0 389.521 3.804 10 0 GHAERN Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190436218 884081423 /nfs/dbraw/zinc/08/14/23/884081423.db2.gz LYHTUFYWEYLAPW-UHFFFAOYSA-N 0 0 379.489 3.625 10 0 GHAERN CC(C)COc1ccc(CNC(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 ZINC000190597618 884091391 /nfs/dbraw/zinc/09/13/91/884091391.db2.gz AHFUOHPCWTWIKA-INIZCTEOSA-N 0 0 385.512 3.723 10 0 GHAERN Cc1nc(-c2cccs2)ccc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000191953148 884223266 /nfs/dbraw/zinc/22/32/66/884223266.db2.gz WRYPQQDKWBBLSB-UHFFFAOYSA-N 0 0 397.504 3.587 10 0 GHAERN O=C(Oc1cccc2ncccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192618908 884271977 /nfs/dbraw/zinc/27/19/77/884271977.db2.gz WYFSYNRSEMYRIC-UHFFFAOYSA-N 0 0 378.403 3.832 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000192952666 884316410 /nfs/dbraw/zinc/31/64/10/884316410.db2.gz ZJDJTYSBROYZTP-HOTGVXAUSA-N 0 0 386.377 3.706 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)ccc1N(C)C ZINC000193064423 884324251 /nfs/dbraw/zinc/32/42/51/884324251.db2.gz QQZYDUOUGXSXGI-INIZCTEOSA-N 0 0 378.480 3.515 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 ZINC000193147456 884338754 /nfs/dbraw/zinc/33/87/54/884338754.db2.gz QADJNFBQNIJNTE-SJCJKPOMSA-N 0 0 392.286 3.870 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)c3cc(O)ccc3C(F)(F)F)CC2)nc1 ZINC000193336215 884343476 /nfs/dbraw/zinc/34/34/76/884343476.db2.gz UOWORTNUMUOKMH-UHFFFAOYSA-N 0 0 379.382 3.513 10 0 GHAERN COCCNC(=O)c1ccc(Cl)c(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000102728205 884381839 /nfs/dbraw/zinc/38/18/39/884381839.db2.gz ASHNXLBMYRVWHY-UHFFFAOYSA-N 0 0 390.842 3.526 10 0 GHAERN Cc1cc([C@H](C)NC(=O)NCc2ccc(Cn3ccccc3=O)cc2)c(C)o1 ZINC000101994659 884703252 /nfs/dbraw/zinc/70/32/52/884703252.db2.gz WFANJCAQWZEEMX-INIZCTEOSA-N 0 0 379.460 3.667 10 0 GHAERN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3ccoc3)no2)C1=O ZINC000105571380 884813626 /nfs/dbraw/zinc/81/36/26/884813626.db2.gz RWSMYYUXMAACNN-HXUWFJFHSA-N 0 0 398.394 3.606 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 ZINC000105985920 884940498 /nfs/dbraw/zinc/94/04/98/884940498.db2.gz YJZCLBZGJNXXCA-KRWDZBQOSA-N 0 0 398.463 3.619 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000104461543 885459055 /nfs/dbraw/zinc/45/90/55/885459055.db2.gz ZRMKTNKPRDENAA-UHFFFAOYSA-N 0 0 396.468 3.862 10 0 GHAERN COc1cc(C(=O)N2CCC(Nc3ccccc3F)CC2)cc(OC)c1OC ZINC000006627654 885773919 /nfs/dbraw/zinc/77/39/19/885773919.db2.gz TZAQIQHAAYCLBB-UHFFFAOYSA-N 0 0 388.439 3.568 10 0 GHAERN Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 ZINC000101992049 885958720 /nfs/dbraw/zinc/95/87/20/885958720.db2.gz XPKODXCALZXVRW-HNNXBMFYSA-N 0 0 396.520 3.818 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2nnc3ccccn32)CC1)C(C)(C)c1ccccc1 ZINC000102808285 885977017 /nfs/dbraw/zinc/97/70/17/885977017.db2.gz DOXYPSICHICDJJ-KRWDZBQOSA-N 0 0 391.519 3.985 10 0 GHAERN CCOCCOc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000102857040 885979134 /nfs/dbraw/zinc/97/91/34/885979134.db2.gz FWZYNEFSPMOKQU-HNNXBMFYSA-N 0 0 388.851 3.820 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cc(Br)ccc2F)c2ccccc2)[nH]1 ZINC000103282201 885989136 /nfs/dbraw/zinc/98/91/36/885989136.db2.gz CSWXZPMTSHXTGZ-OAHLLOKOSA-N 0 0 389.228 3.534 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2)n[nH]1 ZINC000103294159 885989290 /nfs/dbraw/zinc/98/92/90/885989290.db2.gz SRQYJSLLMAGQTO-UHFFFAOYSA-N 0 0 387.447 3.630 10 0 GHAERN Cc1nnc([C@H](NC(=O)N[C@@H]2CCSc3c(F)cccc32)c2ccccc2)[nH]1 ZINC000105140738 886011034 /nfs/dbraw/zinc/01/10/34/886011034.db2.gz HAYLHTCYYYWBLH-IAGOWNOFSA-N 0 0 397.479 3.878 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N2CCO[C@H](c3nccs3)C2)cc1OC ZINC000110876798 886212532 /nfs/dbraw/zinc/21/25/32/886212532.db2.gz YPPBCIHHRNAAOI-FZMUQLTDSA-N 0 0 388.489 3.554 10 0 GHAERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218970 886286417 /nfs/dbraw/zinc/28/64/17/886286417.db2.gz RSEUNAFBCKXHKG-IHPCNDPISA-N 0 0 397.519 3.757 10 0 GHAERN O=C(NCC1(c2ccccc2)CCOCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000114823884 886329027 /nfs/dbraw/zinc/32/90/27/886329027.db2.gz RFQXEGQSJPJAGE-QGZVFWFLSA-N 0 0 385.533 3.781 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCSC[C@H]1c1ccccc1 ZINC000115235556 886338981 /nfs/dbraw/zinc/33/89/81/886338981.db2.gz USHJXHPPKABMRI-FQEVSTJZSA-N 0 0 380.513 3.739 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)/C=C/c3ccc(Oc4cccnc4)c(F)c3)C2)cn1 ZINC000116116840 886354536 /nfs/dbraw/zinc/35/45/36/886354536.db2.gz BCNQKTGBZSIZLO-UABRLCRWSA-N 0 0 392.434 3.776 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000116669544 886369852 /nfs/dbraw/zinc/36/98/52/886369852.db2.gz YFBYAHZUPJUXLB-UHFFFAOYSA-N 0 0 377.410 3.737 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCC(OCCC(C)C)CC3)CC2)n1 ZINC000116970198 886374080 /nfs/dbraw/zinc/37/40/80/886374080.db2.gz SJSHOEIKCKQJCY-UHFFFAOYSA-N 0 0 388.556 3.596 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC=C(c3cccs3)CC2)nn1-c1ccccc1 ZINC000117719586 886391104 /nfs/dbraw/zinc/39/11/04/886391104.db2.gz AHGQCYCZQFWLSH-UHFFFAOYSA-N 0 0 377.469 3.532 10 0 GHAERN CCCS(=O)(=O)c1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000117719435 886391454 /nfs/dbraw/zinc/39/14/54/886391454.db2.gz XRUHYDRDECLMFG-UHFFFAOYSA-N 0 0 375.515 3.861 10 0 GHAERN COc1cc(F)c([C@@H](C)NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000119483416 886463057 /nfs/dbraw/zinc/46/30/57/886463057.db2.gz NFUPKROEKKUJBF-YJYMSZOUSA-N 0 0 392.427 3.588 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)n1 ZINC000120015515 886496476 /nfs/dbraw/zinc/49/64/76/886496476.db2.gz LYMSTLNOVADEOL-CYBMUJFWSA-N 0 0 381.427 3.960 10 0 GHAERN O=C(CCOc1ccccc1-c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000120390468 886515013 /nfs/dbraw/zinc/51/50/13/886515013.db2.gz VVFZIGCYUQYJTB-UHFFFAOYSA-N 0 0 376.460 3.578 10 0 GHAERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000120783291 886532493 /nfs/dbraw/zinc/53/24/93/886532493.db2.gz ZZHUYKYAFPCEPI-KDOFPFPSSA-N 0 0 391.512 3.667 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000332783501 886542947 /nfs/dbraw/zinc/54/29/47/886542947.db2.gz ZLJXFWBNISCJKC-OGWHTMIXSA-N 0 0 377.529 3.642 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C[C@H](C)O1 ZINC000332920857 886561363 /nfs/dbraw/zinc/56/13/63/886561363.db2.gz BIHVUYIPYLYFDO-ZMMAXQRCSA-N 0 0 397.523 3.564 10 0 GHAERN CCN(C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F)[C@H](C)c1cccnc1 ZINC000124352897 886734749 /nfs/dbraw/zinc/73/47/49/886734749.db2.gz VTXCGEMBPAHNAP-FZKQIMNGSA-N 0 0 383.427 3.794 10 0 GHAERN O=C(/C=C/c1ccc(SC(F)(F)F)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000042003914 886742525 /nfs/dbraw/zinc/74/25/25/886742525.db2.gz UQZUSXDGHMJAHJ-FPYGCLRLSA-N 0 0 398.450 3.829 10 0 GHAERN Cc1ccc(NC(=O)N2CC=C(c3ccccc3F)CC2)cc1S(C)(=O)=O ZINC000127328441 887052350 /nfs/dbraw/zinc/05/23/50/887052350.db2.gz HOGWJAZLXIWCJL-UHFFFAOYSA-N 0 0 388.464 3.859 10 0 GHAERN Cc1c([C@@H](C)N[C@@H](c2nccn2C)c2cccc(F)c2)cnn1-c1ccccn1 ZINC000128360778 887175927 /nfs/dbraw/zinc/17/59/27/887175927.db2.gz ZOLWUJCILBJYGE-QVKFZJNVSA-N 0 0 390.466 3.889 10 0 GHAERN Cc1c([C@H](C)N[C@@H](c2nccn2C)c2cccc(F)c2)cnn1-c1ccccn1 ZINC000128361043 887176288 /nfs/dbraw/zinc/17/62/88/887176288.db2.gz ZOLWUJCILBJYGE-YCRPNKLZSA-N 0 0 390.466 3.889 10 0 GHAERN CC(C)Oc1ccc(F)cc1NC(=O)N(C)C[C@H](O)COCc1ccccc1 ZINC000105033619 887304514 /nfs/dbraw/zinc/30/45/14/887304514.db2.gz CFBIADYEYHNEAB-SFHVURJKSA-N 0 0 390.455 3.654 10 0 GHAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1 ZINC000047934853 887390231 /nfs/dbraw/zinc/39/02/31/887390231.db2.gz MZUFXTGOUBYZHA-CYBMUJFWSA-N 0 0 393.413 3.525 10 0 GHAERN CSc1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1Cl ZINC000130153876 887397184 /nfs/dbraw/zinc/39/71/84/887397184.db2.gz CRJQKQNQOYZULE-UHFFFAOYSA-N 0 0 388.836 3.689 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cnc4c(C)cc(F)cc4c3O)CC2)n1 ZINC000130667366 887460878 /nfs/dbraw/zinc/46/08/78/887460878.db2.gz DYFVAXXRVOLSAJ-UHFFFAOYSA-N 0 0 385.464 3.760 10 0 GHAERN O=C(CCc1nnc(C2CCCC2)o1)N1CCC(Nc2ccccc2F)CC1 ZINC000131102760 887510414 /nfs/dbraw/zinc/51/04/14/887510414.db2.gz UUPSTXAANPHWRN-UHFFFAOYSA-N 0 0 386.471 3.902 10 0 GHAERN Oc1cccc(CN(Cc2noc(-c3ccsc3)n2)C2CCC(O)CC2)c1 ZINC000132381368 887649493 /nfs/dbraw/zinc/64/94/93/887649493.db2.gz AQILBEZLUSJOPI-UHFFFAOYSA-N 0 0 385.489 3.809 10 0 GHAERN CCS[C@H](C)c1noc(C[S@@](=O)Cc2nc(-c3ccc(F)cc3)no2)n1 ZINC000132944602 887714672 /nfs/dbraw/zinc/71/46/72/887714672.db2.gz RXIJPDDUJZTFJJ-SKVICXGVSA-N 0 0 396.469 3.522 10 0 GHAERN O=C(Nc1ccc(-c2cnco2)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000133284405 887746792 /nfs/dbraw/zinc/74/67/92/887746792.db2.gz HHISXRKWFYDSJE-HNNXBMFYSA-N 0 0 381.457 3.894 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(Br)cn3C(C)C)CCO2)o1 ZINC000133655191 887787652 /nfs/dbraw/zinc/78/76/52/887787652.db2.gz AROAUYHKJZERJS-MRXNPFEDSA-N 0 0 381.270 3.947 10 0 GHAERN CCSc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000134297865 887850329 /nfs/dbraw/zinc/85/03/29/887850329.db2.gz UCOLVWSKSCSIJY-SUMWQHHRSA-N 0 0 393.940 3.771 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCCC3)C1 ZINC000134325423 887860586 /nfs/dbraw/zinc/86/05/86/887860586.db2.gz SKSWGJUSMFUIJQ-APWZRJJASA-N 0 0 387.549 3.726 10 0 GHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000134351467 887862256 /nfs/dbraw/zinc/86/22/56/887862256.db2.gz CJPYBNCYTXGXMT-PXNSSMCTSA-N 0 0 398.551 3.772 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C1 ZINC000134357331 887864478 /nfs/dbraw/zinc/86/44/78/887864478.db2.gz HAULDCHQKRKYDN-BRKWEVRTSA-N 0 0 389.499 3.649 10 0 GHAERN CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]([C@@H](O)c4nccn4C)C3)o2)cc1 ZINC000134372431 887865468 /nfs/dbraw/zinc/86/54/68/887865468.db2.gz FLVAYWSMZYLDQB-WIYYLYMNSA-N 0 0 393.487 3.828 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000134374169 887865892 /nfs/dbraw/zinc/86/58/92/887865892.db2.gz UFTOANJWMHZORO-UWJYYQICSA-N 0 0 390.487 3.750 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000134388648 887867021 /nfs/dbraw/zinc/86/70/21/887867021.db2.gz VTOWHGQNIYHOCT-UNMCSNQZSA-N 0 0 389.499 3.597 10 0 GHAERN Cc1ccc(C)c(OCCCCC(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000134392099 887868679 /nfs/dbraw/zinc/86/86/79/887868679.db2.gz XDSCUWDJTMSCKR-DENIHFKCSA-N 0 0 399.535 3.558 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000055418878 888316510 /nfs/dbraw/zinc/31/65/10/888316510.db2.gz XFKPIEVZJKDRIO-HRNYAPDYSA-N 0 0 385.467 3.702 10 0 GHAERN O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137142154 888335616 /nfs/dbraw/zinc/33/56/16/888335616.db2.gz HKJQDNRZNHEDFI-MRXNPFEDSA-N 0 0 388.418 3.645 10 0 GHAERN O=C(NC1CCN(C(=O)c2cccc(Br)c2)CC1)c1cccs1 ZINC000056440199 888360444 /nfs/dbraw/zinc/36/04/44/888360444.db2.gz KYTYCPRYAFYSIP-UHFFFAOYSA-N 0 0 393.306 3.545 10 0 GHAERN COc1ccccc1N1CCC(NC(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000138612950 888413474 /nfs/dbraw/zinc/41/34/74/888413474.db2.gz AAXJWKLDDODXDI-NZQKXSOJSA-N 0 0 394.515 3.948 10 0 GHAERN Cc1nnc([C@H](NC(=O)Cc2nc(-c3ccccc3)oc2C)c2ccccc2)[nH]1 ZINC000057796420 888414019 /nfs/dbraw/zinc/41/40/19/888414019.db2.gz VLYJQRVFIURFMW-HXUWFJFHSA-N 0 0 387.443 3.525 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2ccc(Oc3cccnc3)cc2)c2ccccc2)[nH]1 ZINC000057799259 888414188 /nfs/dbraw/zinc/41/41/88/888414188.db2.gz NCTMNWUHZGLZRL-HXUWFJFHSA-N 0 0 385.427 3.820 10 0 GHAERN O=C(Nc1ccccc1I)[C@H]1CCCc2cccnc21 ZINC000193761988 888521655 /nfs/dbraw/zinc/52/16/55/888521655.db2.gz DYADZOCAMGHHKX-LBPRGKRZSA-N 0 0 378.213 3.745 10 0 GHAERN COc1ccnc(N2CCC(C(=O)N3CCCCC[C@H]3c3ccccc3)CC2)n1 ZINC000194100789 888556441 /nfs/dbraw/zinc/55/64/41/888556441.db2.gz VCRSVANUUPYMGI-FQEVSTJZSA-N 0 0 394.519 3.846 10 0 GHAERN O=C(Nc1ccccc1CN1C(=O)CCC1=O)N1CC=C(c2ccccc2)CC1 ZINC000194228718 888569605 /nfs/dbraw/zinc/56/96/05/888569605.db2.gz ZLPPQGUOYAKHGK-UHFFFAOYSA-N 0 0 389.455 3.657 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000194422569 888585031 /nfs/dbraw/zinc/58/50/31/888585031.db2.gz ZMSSAPUDIJPSJJ-SFHVURJKSA-N 0 0 385.487 3.671 10 0 GHAERN O=C(Nc1ccc(-c2cnco2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000194663957 888604020 /nfs/dbraw/zinc/60/40/20/888604020.db2.gz ZELLQMHBRLLJOZ-UHFFFAOYSA-N 0 0 393.418 3.972 10 0 GHAERN O=C(Nc1ccc(F)cc1NC(=O)[C@H]1CCCc2cccnc21)c1ccccn1 ZINC000195430457 888663155 /nfs/dbraw/zinc/66/31/55/888663155.db2.gz HCNFQMGRKCTMMO-INIZCTEOSA-N 0 0 390.418 3.927 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)n1 ZINC000195488706 888670533 /nfs/dbraw/zinc/67/05/33/888670533.db2.gz WQWCQXWNOAQSNR-TZIWHRDSSA-N 0 0 389.455 3.852 10 0 GHAERN C[C@@H](c1ncc(-c2ccccc2)o1)S(=O)(=O)c1n[nH]c(Cc2ccccc2)n1 ZINC000195286409 888676446 /nfs/dbraw/zinc/67/64/46/888676446.db2.gz OUUGMCWYDHMUBM-AWEZNQCLSA-N 0 0 394.456 3.585 10 0 GHAERN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000195508860 888683595 /nfs/dbraw/zinc/68/35/95/888683595.db2.gz PGUNYBHFTKFUFI-MSOLQXFVSA-N 0 0 398.551 3.596 10 0 GHAERN Cc1cc(CC(=O)N[C@H]2CCN(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)no1 ZINC000245612824 889065993 /nfs/dbraw/zinc/06/59/93/889065993.db2.gz WMKRNTHAMLQYPL-HKUYNNGSSA-N 0 0 379.863 3.658 10 0 GHAERN Cc1ccccc1[C@H](CC(C)C)NC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000245681663 889214833 /nfs/dbraw/zinc/21/48/33/889214833.db2.gz KZIMJPLYEDZXNE-SESVDKBCSA-N 0 0 398.551 3.971 10 0 GHAERN CC[C@@H](c1ccncc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000245689022 889229669 /nfs/dbraw/zinc/22/96/69/889229669.db2.gz LIIJDBYBKMDRCS-PMACEKPBSA-N 0 0 395.503 3.599 10 0 GHAERN O=C(Nc1cccc(OCc2cccnc2)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245889313 889941689 /nfs/dbraw/zinc/94/16/89/889941689.db2.gz LBWZGBOLAMXQFK-VAMGGRTRSA-N 0 0 379.460 3.740 10 0 GHAERN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000245904712 889984259 /nfs/dbraw/zinc/98/42/59/889984259.db2.gz AOKSUUFQXUDCNA-DBXWQHBBSA-N 0 0 398.551 3.771 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cn1 ZINC000245957604 890075780 /nfs/dbraw/zinc/07/57/80/890075780.db2.gz CVYNOZKBRCGSBD-SQNIBIBYSA-N 0 0 392.862 3.589 10 0 GHAERN Cc1sc2nc([C@@H](C)N3CCC[C@@H](c4nncn4C4CC4)C3)nc(N)c2c1C ZINC000246104659 890381988 /nfs/dbraw/zinc/38/19/88/890381988.db2.gz PAHPZRXIIBXGRI-TZMCWYRMSA-N 0 0 397.552 3.757 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCCn4nc(C(C)C)nc43)C2)cc1 ZINC000246178978 890578307 /nfs/dbraw/zinc/57/83/07/890578307.db2.gz GQSLJDJIUNTXCJ-MJGOQNOKSA-N 0 0 396.539 3.513 10 0 GHAERN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000246208104 890731247 /nfs/dbraw/zinc/73/12/47/890731247.db2.gz DZMAYECHYSFUFP-BHIYHBOVSA-N 0 0 383.492 3.813 10 0 GHAERN Cc1occc1C(=O)NC1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 ZINC000066891561 891133260 /nfs/dbraw/zinc/13/32/60/891133260.db2.gz VUEUZKOSVOLMGM-UHFFFAOYSA-N 0 0 390.867 3.502 10 0 GHAERN O=C(NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1cccnc1 ZINC000067281137 891146998 /nfs/dbraw/zinc/14/69/98/891146998.db2.gz CXGDUILMQAMAQA-UHFFFAOYSA-N 0 0 399.494 3.635 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000068275901 891173940 /nfs/dbraw/zinc/17/39/40/891173940.db2.gz CMGMYUUMGWSWSC-NVXWUHKLSA-N 0 0 378.428 3.814 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc4nc(Cl)ccc4c3)CC2)no1 ZINC000069644662 891202798 /nfs/dbraw/zinc/20/27/98/891202798.db2.gz LOCJITZOSZKCHM-UHFFFAOYSA-N 0 0 398.850 3.676 10 0 GHAERN Brc1cccc(-c2c[nH]c(CN3CCS[C@@H]4COCC[C@H]43)n2)c1 ZINC000246468005 891267094 /nfs/dbraw/zinc/26/70/94/891267094.db2.gz OIDWUZPPJZBJTC-HZPDHXFCSA-N 0 0 394.338 3.546 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246527210 891282468 /nfs/dbraw/zinc/28/24/68/891282468.db2.gz PAYDFDXBEVWTEK-DFQSSKMNSA-N 0 0 399.560 3.872 10 0 GHAERN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000246646077 891294918 /nfs/dbraw/zinc/29/49/18/891294918.db2.gz CMZUKIOWEMWVOW-ZNMIVQPWSA-N 0 0 393.896 3.556 10 0 GHAERN C[C@H](NC(=O)[C@H]1C[C@]12CCc1ccccc12)c1ccc(N2CCOC2=O)cc1 ZINC000246716154 891300143 /nfs/dbraw/zinc/30/01/43/891300143.db2.gz LDRFLSKHDDNYAG-NQKDMWHGSA-N 0 0 376.456 3.725 10 0 GHAERN CC(=O)N(Cc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1)C1CC1 ZINC000247009514 891332317 /nfs/dbraw/zinc/33/23/17/891332317.db2.gz UJGQFYUOUBEMRU-NJDAHSKKSA-N 0 0 397.519 3.667 10 0 GHAERN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247220666 891355611 /nfs/dbraw/zinc/35/56/11/891355611.db2.gz OBWGUNRBHMBVAK-DJIMGWMZSA-N 0 0 391.874 3.576 10 0 GHAERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247457791 891379134 /nfs/dbraw/zinc/37/91/34/891379134.db2.gz PJUDSDILQZXIRJ-YSVLISHTSA-N 0 0 377.872 3.546 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000247943512 891402089 /nfs/dbraw/zinc/40/20/89/891402089.db2.gz GXCVPVPIXDVTHO-FDFHNCONSA-N 0 0 398.547 3.530 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000248672217 891455971 /nfs/dbraw/zinc/45/59/71/891455971.db2.gz RGGMAZSIWRMVST-OFQRWUPVSA-N 0 0 389.521 3.898 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000249036119 891489225 /nfs/dbraw/zinc/48/92/25/891489225.db2.gz XLLQSEIIJFTLTB-NFFDBFGFSA-N 0 0 396.274 3.777 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cc(Br)ncc1Cl ZINC000251557914 891625950 /nfs/dbraw/zinc/62/59/50/891625950.db2.gz GHAULADDRBDFOZ-OWYVNGRQSA-N 0 0 385.689 3.575 10 0 GHAERN O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)N1CCC[C@@H]1C1CCCCC1 ZINC000079951990 892759067 /nfs/dbraw/zinc/75/90/67/892759067.db2.gz GRNIFSMABSQHHX-ZWKOTPCHSA-N 0 0 376.522 3.659 10 0 GHAERN Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332968804 893387384 /nfs/dbraw/zinc/38/73/84/893387384.db2.gz ZZLKVHCVUFICLM-QZTJIDSGSA-N 0 0 380.492 3.933 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CCC(OCC(C)C)CC1 ZINC000102020229 897989197 /nfs/dbraw/zinc/98/91/97/897989197.db2.gz WRYLXLYFTMAYCI-UHFFFAOYSA-N 0 0 395.931 3.824 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000102029148 897989432 /nfs/dbraw/zinc/98/94/32/897989432.db2.gz GVOMJDFOGNREEX-CQSZACIVSA-N 0 0 396.919 3.524 10 0 GHAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)C1 ZINC000333540656 902174485 /nfs/dbraw/zinc/17/44/85/902174485.db2.gz NWFNERQLNJIRCI-KRWDZBQOSA-N 0 0 385.508 3.754 10 0 GHAERN O=C(Nc1ccc(-n2ncc3ccccc32)cc1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333625611 902231507 /nfs/dbraw/zinc/23/15/07/902231507.db2.gz AKJQCYRALFEXEG-QKLQHJQFSA-N 0 0 376.460 3.650 10 0 GHAERN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)C1 ZINC000333810769 902341849 /nfs/dbraw/zinc/34/18/49/902341849.db2.gz GNALPXUAMIENQE-KBXCAEBGSA-N 0 0 393.478 3.679 10 0 GHAERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333847492 902368596 /nfs/dbraw/zinc/36/85/96/902368596.db2.gz WNDYSQTXECHUOH-ABSDTBQOSA-N 0 0 380.492 3.511 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000174945113 905396975 /nfs/dbraw/zinc/39/69/75/905396975.db2.gz SBSSSJGIMJLQAU-NSHDSACASA-N 0 0 393.846 3.505 10 0 GHAERN CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)c21 ZINC000179348025 906478523 /nfs/dbraw/zinc/47/85/23/906478523.db2.gz URAAVASNRQQRST-HNNXBMFYSA-N 0 0 380.452 3.709 10 0 GHAERN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000181379063 906985231 /nfs/dbraw/zinc/98/52/31/906985231.db2.gz MSMSXXWLBQNNJG-IAGOWNOFSA-N 0 0 399.495 3.514 10 0 GHAERN O=C(NC1CCCCC1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000184577595 907612660 /nfs/dbraw/zinc/61/26/60/907612660.db2.gz PRRSTDFTGMZDHZ-GOSISDBHSA-N 0 0 396.495 3.626 10 0 GHAERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1CCCC[C@H]1c1nc[nH]n1 ZINC000184689652 907640475 /nfs/dbraw/zinc/64/04/75/907640475.db2.gz WDDORNIMOGYAQU-NSHDSACASA-N 0 0 380.330 3.724 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)C1 ZINC000189074511 908279302 /nfs/dbraw/zinc/27/93/02/908279302.db2.gz OBLMKLFKPMPILB-YWUZZIELSA-N 0 0 395.381 3.789 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(CSc3nc[nH]n3)cc2)cs1 ZINC000190017226 908403498 /nfs/dbraw/zinc/40/34/98/908403498.db2.gz UZMROGDKFPUZGV-INIZCTEOSA-N 0 0 385.518 3.839 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000190046878 908411383 /nfs/dbraw/zinc/41/13/83/908411383.db2.gz WNEPDYOYGFRRJG-POZUXBRTSA-N 0 0 387.480 3.566 10 0 GHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc(C)c1Br ZINC000192419148 908784499 /nfs/dbraw/zinc/78/44/99/908784499.db2.gz OAKUVSGAUZAHPF-ZDUSSCGKSA-N 0 0 378.274 3.943 10 0 GHAERN Cc1cc(Br)oc1C(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000284489731 911888607 /nfs/dbraw/zinc/88/86/07/911888607.db2.gz CMMQILVUNQMSEG-AWEZNQCLSA-N 0 0 392.297 3.940 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000371523594 924629813 /nfs/dbraw/zinc/62/98/13/924629813.db2.gz JFFVPQRSLZQJSP-HOTGVXAUSA-N 0 0 381.398 3.646 10 0 GHAERN Cc1cccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nonc3c2)n1 ZINC000000593091 212164270 /nfs/dbraw/zinc/16/42/70/212164270.db2.gz SSMIPWHKBBWBRF-UHFFFAOYSA-N 0 0 396.410 3.749 10 0 GHAERN O=c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nn1CCN1CCOCC1 ZINC000031571479 212158196 /nfs/dbraw/zinc/15/81/96/212158196.db2.gz FQJPOUFLBABUPN-UHFFFAOYSA-N 0 0 395.890 3.563 10 0 GHAERN COc1ccc(Br)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000018891480 212149521 /nfs/dbraw/zinc/14/95/21/212149521.db2.gz AKMRDPCROANIJM-NSHDSACASA-N 0 0 392.249 3.720 10 0 GHAERN Cc1ccc(-n2c(=O)[nH]c3c(c2=O)[C@H](c2ccc(Cl)cc2)C(C)(C)O3)cc1 ZINC000005052947 212146046 /nfs/dbraw/zinc/14/60/46/212146046.db2.gz HBZYFFQJVSONDQ-KRWDZBQOSA-N 0 0 382.847 3.791 10 0 GHAERN CC(=O)N(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(Cl)c(Cl)c1 ZINC000001768089 212145189 /nfs/dbraw/zinc/14/51/89/212145189.db2.gz CKGFOBQEXOTVSX-UHFFFAOYSA-N 0 0 376.247 3.654 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000053636699 212131466 /nfs/dbraw/zinc/13/14/66/212131466.db2.gz PTRIMOFWACZAKW-SFHVURJKSA-N 0 0 392.484 3.931 10 0 GHAERN CCn1cccc1Cn1nc(NC(=O)c2ccc3c(c2)OCO3)sc1=S ZINC000334161583 212107519 /nfs/dbraw/zinc/10/75/19/212107519.db2.gz CNGQFBQMROYCMU-UHFFFAOYSA-N 0 0 388.474 3.525 10 0 GHAERN CCOc1ccc2nc(N3C(=O)C(=Cc4ccccc4)NC3=S)sc2c1 ZINC000002438380 220534327 /nfs/dbraw/zinc/53/43/27/220534327.db2.gz NFXVSRUNUUUPQI-XNTDXEJSSA-N 0 0 381.482 3.957 10 0 GHAERN CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCCC1 ZINC000002457481 220536045 /nfs/dbraw/zinc/53/60/45/220536045.db2.gz CWRIANJJWOZZOY-UHFFFAOYSA-N 0 0 386.492 3.639 10 0 GHAERN O=C1C(=Cc2ccc(COc3ccccc3)o2)NC(=S)N1C[C@@H]1CCCO1 ZINC000002803903 220568873 /nfs/dbraw/zinc/56/88/73/220568873.db2.gz KSFBEAZNACIEFL-GYXHFJGISA-N 0 0 384.457 3.507 10 0 GHAERN O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000004903016 220786193 /nfs/dbraw/zinc/78/61/93/220786193.db2.gz RTFOAWJWRFDGQV-JOCHJYFZSA-N 0 0 388.442 3.882 10 0 GHAERN O=C(NC(=S)Nc1ccc(I)cc1)C1CCCCC1 ZINC000006548126 220940430 /nfs/dbraw/zinc/94/04/30/220940430.db2.gz VDTKQXWGRWHQMT-UHFFFAOYSA-N 0 0 388.274 3.685 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)c(C)c1 ZINC000006805952 220965105 /nfs/dbraw/zinc/96/51/05/220965105.db2.gz XPLKFBFTIGJUSS-UHFFFAOYSA-N 0 0 381.505 3.801 10 0 GHAERN COc1ncccc1C(=O)N[C@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000011874157 221133903 /nfs/dbraw/zinc/13/39/03/221133903.db2.gz YAXOSFAGNHAGJW-IBGZPJMESA-N 0 0 376.460 3.700 10 0 GHAERN Cc1[nH]c2c(cccc2F)c1CC(=O)NCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000011969117 221141295 /nfs/dbraw/zinc/14/12/95/221141295.db2.gz DURXDTLAWKARFG-HNNXBMFYSA-N 0 0 395.478 3.557 10 0 GHAERN CN1CCN(C2=Cn3cccc3Sc3ccc(Br)cc32)CC1 ZINC000013532219 221271973 /nfs/dbraw/zinc/27/19/73/221271973.db2.gz JDXIFXASVQAKDO-UHFFFAOYSA-N 0 0 376.323 3.918 10 0 GHAERN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731676 221285449 /nfs/dbraw/zinc/28/54/49/221285449.db2.gz INYPAHDNBVJAAE-HXUWFJFHSA-N 0 0 388.427 3.536 10 0 GHAERN CC(C)c1ccc(-c2nc3c([nH]c(=O)n3C3CCCCC3)c(C(N)=O)n2)cc1 ZINC000015778626 221344825 /nfs/dbraw/zinc/34/48/25/221344825.db2.gz MFDQYMLRULGRKE-UHFFFAOYSA-N 0 0 379.464 3.514 10 0 GHAERN O=C(NCCc1cccs1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774085 221345115 /nfs/dbraw/zinc/34/51/15/221345115.db2.gz UVQGQLQRETUUSL-FQEVSTJZSA-N 0 0 376.481 3.679 10 0 GHAERN CCOC(=O)[C@H]1CCCN(c2nc(CC)nc3c(-c4ccc(C)cc4)noc32)C1 ZINC000064775648 136157690 /nfs/dbraw/zinc/15/76/90/136157690.db2.gz FXCAMRIXJXBYBQ-INIZCTEOSA-N 0 0 394.475 3.935 10 0 GHAERN CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2)C[C@@H](c2ccc(F)c(C)c2)C1 ZINC000034716168 221803573 /nfs/dbraw/zinc/80/35/73/221803573.db2.gz KSCPVBCEBAHFDR-WOJBJXKFSA-N 0 0 397.494 3.586 10 0 GHAERN O=C(/C=C\c1ccco1)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000033314418 221787942 /nfs/dbraw/zinc/78/79/42/221787942.db2.gz HCOMZYXRMDYEPO-XFXZXTDPSA-N 0 0 394.452 3.683 10 0 GHAERN CC(C)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2csnn2)cc1 ZINC000033930167 221798882 /nfs/dbraw/zinc/79/88/82/221798882.db2.gz KNIHPIRPHHZANM-UHFFFAOYSA-N 0 0 386.521 3.757 10 0 GHAERN COc1cc(OC)cc(C(=O)N2CCC[C@@H](OCc3cc(F)ccc3F)C2)c1 ZINC000036315527 221849771 /nfs/dbraw/zinc/84/97/71/221849771.db2.gz CSKFRRFYLSYVLC-QGZVFWFLSA-N 0 0 391.414 3.803 10 0 GHAERN COCCN(C/C=C/c1ccccc1)Cc1c(Cl)nc2c(C)cccn2c1=O ZINC000055132127 222016339 /nfs/dbraw/zinc/01/63/39/222016339.db2.gz YYHHUHSSXMMMKV-YRNVUSSQSA-N 0 0 397.906 3.818 10 0 GHAERN Cc1ccc(CC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc1 ZINC000065058381 222095795 /nfs/dbraw/zinc/09/57/95/222095795.db2.gz OZCNYEMJFJESFX-HSZRJFAPSA-N 0 0 382.479 3.622 10 0 GHAERN CCOC(=O)c1ccccc1NC(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148927 222103117 /nfs/dbraw/zinc/10/31/17/222103117.db2.gz JISPBTVXLHETFO-UHFFFAOYSA-N 0 0 377.444 3.945 10 0 GHAERN COc1ccc(NC(=O)c2c(C)sc3c2ncn(C(C)C)c3=O)cc1OC ZINC000065297326 222122374 /nfs/dbraw/zinc/12/23/74/222122374.db2.gz MRFGRFRFEUJMJR-UHFFFAOYSA-N 0 0 387.461 3.617 10 0 GHAERN CC(C)c1csc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095516618 222345024 /nfs/dbraw/zinc/34/50/24/222345024.db2.gz VSVNQEMIECKNBH-MRXNPFEDSA-N 0 0 395.532 3.926 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095075576 222329707 /nfs/dbraw/zinc/32/97/07/222329707.db2.gz RFBBFZDBKCOEHQ-UHFFFAOYSA-N 0 0 389.327 3.862 10 0 GHAERN CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1nc2ccccc2nc1NC1CC1 ZINC000095087688 222330564 /nfs/dbraw/zinc/33/05/64/222330564.db2.gz SXGBTHXSTJDBKE-HNNXBMFYSA-N 0 0 383.496 3.698 10 0 GHAERN COc1c2c(ncc1Cl)[nH]c(I)c2-c1cccnc1 ZINC000095937016 222360745 /nfs/dbraw/zinc/36/07/45/222360745.db2.gz KOVUFWKNQLEZNE-UHFFFAOYSA-N 0 0 385.592 3.892 10 0 GHAERN Cc1ccccc1-c1nc2s/c(=C/c3ccc(C(C)(C)C)cc3)c(=O)n2n1 ZINC000035198352 570550581 /nfs/dbraw/zinc/55/05/81/570550581.db2.gz LKXWMAMKRIVMBS-QGOAFFKASA-N 0 0 375.497 3.972 10 0 GHAERN COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1 ZINC000003957788 570722105 /nfs/dbraw/zinc/72/21/05/570722105.db2.gz GSDHDSCCNAWDCB-UHFFFAOYSA-N 0 0 386.451 3.992 10 0 GHAERN O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@@H](c1ccccc1)c1ccncc1 ZINC000104409986 837421997 /nfs/dbraw/zinc/42/19/97/837421997.db2.gz ZEFRXOVXNPYEQQ-DEOSSOPVSA-N 0 0 385.467 3.805 10 0 GHAERN C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2)c1nccs1 ZINC000105992507 837673440 /nfs/dbraw/zinc/67/34/40/837673440.db2.gz PTLGOZUEDIHHBF-ABKXIKBNSA-N 0 0 379.894 3.603 10 0 GHAERN Cc1ccc(N(C)C2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)nn1 ZINC000329433672 835041852 /nfs/dbraw/zinc/04/18/52/835041852.db2.gz INFWDJXFODTORF-UHFFFAOYSA-N 0 0 394.548 3.774 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000329473017 835101293 /nfs/dbraw/zinc/10/12/93/835101293.db2.gz SLEORBRHNCSFSV-MLGOLLRUSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N(C)[C@H]3c3ccccc3)C2)n1 ZINC000246934997 835138474 /nfs/dbraw/zinc/13/84/74/835138474.db2.gz MZNVACGOVZHLHI-HBFSDRIKSA-N 0 0 397.544 3.767 10 0 GHAERN CC(=O)N1CCCc2cc(NC(=O)[C@H]3C[C@]34CCOc3ccccc34)ccc21 ZINC000329592150 835314323 /nfs/dbraw/zinc/31/43/23/835314323.db2.gz BXFKIEXYZRCSNZ-XXBNENTESA-N 0 0 376.456 3.665 10 0 GHAERN COC(=O)C[C@@H](C)[S@](=O)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000158381831 835339832 /nfs/dbraw/zinc/33/98/32/835339832.db2.gz MFHBGPQTZJAZRO-JUTIIYIPSA-N 0 0 375.368 3.561 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000158476172 835390633 /nfs/dbraw/zinc/39/06/33/835390633.db2.gz KIDDDSSHPUNUDV-UHFFFAOYSA-N 0 0 384.871 3.719 10 0 GHAERN CCc1nc([C@@H](C)NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)cs1 ZINC000112391726 835738548 /nfs/dbraw/zinc/73/85/48/835738548.db2.gz PJHLIYMTPFAVBN-CQSZACIVSA-N 0 0 399.520 3.748 10 0 GHAERN Brc1ccc([C@@H]2C[C@@H]2c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000329737580 835821042 /nfs/dbraw/zinc/82/10/42/835821042.db2.gz TWECFWYBYHINMF-FXUDXRNXSA-N 0 0 390.281 3.639 10 0 GHAERN Cc1c(NC(=O)/C=C\c2ccnc3ccccc23)nnn1Cc1ccccc1F ZINC000588594204 835901847 /nfs/dbraw/zinc/90/18/47/835901847.db2.gz XPQQBVWKYLBHGV-KHPPLWFESA-N 0 0 387.418 3.974 10 0 GHAERN COc1ccc(NC(=O)/C=C\c2ncccc2C)c(I)c1 ZINC000588594232 835901999 /nfs/dbraw/zinc/90/19/99/835901999.db2.gz UMXSFTGOLFWPDA-FPLPWBNLSA-N 0 0 394.212 3.655 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)C1 ZINC000253354339 844164168 /nfs/dbraw/zinc/16/41/68/844164168.db2.gz WNEPDYOYGFRRJG-BJZITVGISA-N 0 0 387.480 3.566 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1c1nc(C)cs1)c1cccs1 ZINC000332753087 836541846 /nfs/dbraw/zinc/54/18/46/836541846.db2.gz GQXKWYLHVPWQLW-LSDHHAIUSA-N 0 0 377.535 3.834 10 0 GHAERN C[C@H]1C[C@@H](C(=O)NCc2nc3cc(Br)cnc3[nH]2)CC(C)(C)C1 ZINC000332841680 836737369 /nfs/dbraw/zinc/73/73/69/836737369.db2.gz KMIBNKOGAZLNSN-WDEREUQCSA-N 0 0 379.302 3.799 10 0 GHAERN CC(C)(C(=O)N1CCC(n2ccnc2)CC1)c1cccc(Br)c1 ZINC000102344860 836750389 /nfs/dbraw/zinc/75/03/89/836750389.db2.gz WNKBIHZYHWRTIV-UHFFFAOYSA-N 0 0 376.298 3.787 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cccc(NC(C)=O)c3C)C2)c1 ZINC000102527403 837092040 /nfs/dbraw/zinc/09/20/40/837092040.db2.gz ZINNPXZWCGAJNX-KRWDZBQOSA-N 0 0 396.491 3.610 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCCN(c3nccs3)CC2)c2ccccc2O1 ZINC000177593371 838026469 /nfs/dbraw/zinc/02/64/69/838026469.db2.gz HLIGBOMEEBGYSB-INIZCTEOSA-N 0 0 386.521 3.667 10 0 GHAERN CC(C)n1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)c2ccccc2c1=O ZINC000408062287 838285758 /nfs/dbraw/zinc/28/57/58/838285758.db2.gz HAAYSPQJASDAIU-DNVFCKCGSA-N 0 0 397.519 3.523 10 0 GHAERN O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000056489433 838569169 /nfs/dbraw/zinc/56/91/69/838569169.db2.gz MNEYPXQLCQNOGI-UWJYYQICSA-N 0 0 380.444 3.732 10 0 GHAERN Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)cc2c1 ZINC000041471137 838630763 /nfs/dbraw/zinc/63/07/63/838630763.db2.gz FGVODFSQKRIKOU-QGZVFWFLSA-N 0 0 393.531 3.962 10 0 GHAERN COc1ccc(COc2ccc([Si](C)(C)c3ccccc3CO)cc2)cc1 ZINC000169975465 838673924 /nfs/dbraw/zinc/67/39/24/838673924.db2.gz FYUIAEGDBCFFOY-UHFFFAOYSA-N 0 0 378.544 3.589 10 0 GHAERN COc1ccc(-c2nc(CN3CCC(C(=O)N4CCCCCC4)CC3)co2)cc1 ZINC000042754654 838966196 /nfs/dbraw/zinc/96/61/96/838966196.db2.gz LKWQASYGGZNUGP-UHFFFAOYSA-N 0 0 397.519 3.965 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CCCc4ccccc43)CC2)s1 ZINC000056781785 839624003 /nfs/dbraw/zinc/62/40/03/839624003.db2.gz YFVJRIFIXREYAG-GOSISDBHSA-N 0 0 383.517 3.602 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)c3ccc(C)c(F)c3)CC2)no1 ZINC000176262403 839906477 /nfs/dbraw/zinc/90/64/77/839906477.db2.gz DWPREGVPZBOAKX-AWEZNQCLSA-N 0 0 388.443 3.552 10 0 GHAERN Cn1cc([C@H]2CSCCN2C(=O)N[C@@H]2c3ccccc3CCC2(C)C)cn1 ZINC000189659077 840315657 /nfs/dbraw/zinc/31/56/57/840315657.db2.gz RWIFMNUVIGRHTO-RTBURBONSA-N 0 0 384.549 3.933 10 0 GHAERN C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000332763211 844534175 /nfs/dbraw/zinc/53/41/75/844534175.db2.gz CSMDTFITCKDEDV-LZLYRXPVSA-N 0 0 390.528 3.649 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cc1 ZINC000110516083 840595935 /nfs/dbraw/zinc/59/59/35/840595935.db2.gz HMPIKLUYZXYEFV-MGPUTAFESA-N 0 0 398.890 3.744 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCC(c3nncn3C3CC3)CC2)c1 ZINC000110809480 840605446 /nfs/dbraw/zinc/60/54/46/840605446.db2.gz HUKULLVULPOSIP-RMKNXTFCSA-N 0 0 380.492 3.820 10 0 GHAERN CC(C)(CC(=O)N1CCC[C@@H](Cc2nnc3ccccn32)C1)c1ccccc1 ZINC000364081413 840728287 /nfs/dbraw/zinc/72/82/87/840728287.db2.gz OUDLHCAUWGJHIL-SFHVURJKSA-N 0 0 376.504 3.878 10 0 GHAERN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1 ZINC000332859923 844596215 /nfs/dbraw/zinc/59/62/15/844596215.db2.gz MCLIZYWQYJKQCG-AEFFLSMTSA-N 0 0 392.425 3.880 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000408114873 840965068 /nfs/dbraw/zinc/96/50/68/840965068.db2.gz JHJQGXYZAHKUGG-AWEZNQCLSA-N 0 0 378.881 3.532 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000408133306 841084322 /nfs/dbraw/zinc/08/43/22/841084322.db2.gz OEZDJOZHKPJNFT-PWHSHALESA-N 0 0 385.552 3.647 10 0 GHAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408149419 841177200 /nfs/dbraw/zinc/17/72/00/841177200.db2.gz QGZLMKGTZKRFDD-KBRIMQKVSA-N 0 0 399.304 3.813 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000332873925 844617976 /nfs/dbraw/zinc/61/79/76/844617976.db2.gz XYSDNCDTEIGYKI-NCXUSEDFSA-N 0 0 390.911 3.913 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H]3c3ccc(Cl)cc3)C2)nn1 ZINC000332895619 844628670 /nfs/dbraw/zinc/62/86/70/844628670.db2.gz KCXOHSSJDUVTPQ-MOPGFXCFSA-N 0 0 399.926 3.954 10 0 GHAERN CCCCc1oc2ccccc2c1/C=C\C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000588413776 841465321 /nfs/dbraw/zinc/46/53/21/841465321.db2.gz RLMHQRIRRIXZSG-JNSOCZORSA-N 0 0 380.488 3.916 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(-n2ccnc2)c1 ZINC000246566393 842051951 /nfs/dbraw/zinc/05/19/51/842051951.db2.gz LUMAQJNZZBIMIZ-YGWPLHOASA-N 0 0 380.492 3.580 10 0 GHAERN Fc1cc2ncnc(N3CCC[C@H](c4nnc5n4CCCCC5)C3)c2cc1F ZINC000408187983 842102740 /nfs/dbraw/zinc/10/27/40/842102740.db2.gz BQDVULDPICCGNW-ZDUSSCGKSA-N 0 0 384.434 3.610 10 0 GHAERN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000588427436 842199029 /nfs/dbraw/zinc/19/90/29/842199029.db2.gz ODWOAJFYTPZMNS-AYSBOYAFSA-N 0 0 393.487 3.584 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000247431922 842302890 /nfs/dbraw/zinc/30/28/90/842302890.db2.gz NUKHZKPNMIBFIF-XLNTUCKNSA-N 0 0 385.508 3.780 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000328841142 842482263 /nfs/dbraw/zinc/48/22/63/842482263.db2.gz PHMCEXJUFTVWRC-PBHICJAKSA-N 0 0 387.480 3.697 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(Cl)cc2cccnc21 ZINC000588434536 842506988 /nfs/dbraw/zinc/50/69/88/842506988.db2.gz NFIVXRFNLBYVKN-PLNGDYQASA-N 0 0 375.856 3.699 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1Cc1ccc(N2CCCCCC2)nc1 ZINC000329357834 861322191 /nfs/dbraw/zinc/32/21/91/861322191.db2.gz HJQITEPQSIRNGR-FHWLQOOXSA-N 0 0 382.508 3.557 10 0 GHAERN c1nnc([C@@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)[nH]1 ZINC000408351804 842741148 /nfs/dbraw/zinc/74/11/48/842741148.db2.gz IWPKDXOABGHNPF-CYBMUJFWSA-N 0 0 380.521 3.950 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)/C(C)=C\c3ccc(OC)c(F)c3)C2)c1 ZINC000588445032 842805217 /nfs/dbraw/zinc/80/52/17/842805217.db2.gz AGEUUYPSBYYZEF-MUMAZLPKSA-N 0 0 398.478 3.889 10 0 GHAERN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000162071611 843196787 /nfs/dbraw/zinc/19/67/87/843196787.db2.gz YRMPVJRKMLWKBR-NRFANRHFSA-N 0 0 393.531 3.804 10 0 GHAERN C/C(=C/C(=O)OC1CCN(CC(F)F)CC1)c1ccccc1OC(F)F ZINC000588448756 843200723 /nfs/dbraw/zinc/20/07/23/843200723.db2.gz NMWROAHTGZPURK-BENRWUELSA-N 0 0 375.362 3.964 10 0 GHAERN CC(C)n1cc(Br)cc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162487328 843264994 /nfs/dbraw/zinc/26/49/94/843264994.db2.gz QLWQABDTKCHROS-UHFFFAOYSA-N 0 0 393.329 3.660 10 0 GHAERN COc1ccc(Oc2cc(CNC(=O)/C=C\c3ncccc3C)ccn2)cc1 ZINC000588452126 843308135 /nfs/dbraw/zinc/30/81/35/843308135.db2.gz VSJRAJRWRGFJIR-KTKRTIGZSA-N 0 0 375.428 3.916 10 0 GHAERN O=C([C@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000329425293 861402850 /nfs/dbraw/zinc/40/28/50/861402850.db2.gz GTCSALWSIXUHHI-AZUAARDMSA-N 0 0 394.519 3.568 10 0 GHAERN COc1cc(N[C@H]2CCCN(C(=O)/C=C\c3ncccc3C)C2)cc(OC)c1 ZINC000588455613 843357070 /nfs/dbraw/zinc/35/70/70/843357070.db2.gz NSDLPSFHNBRURP-JJEJIETFSA-N 0 0 381.476 3.524 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000588455793 843358442 /nfs/dbraw/zinc/35/84/42/843358442.db2.gz BYZGWTRPFFSTFT-AEPUCPPHSA-N 0 0 385.508 3.792 10 0 GHAERN CCN(CC1CCN(C(=O)/C=C\c2ncccc2C)CC1)C(=O)OC(C)(C)C ZINC000588455876 843359240 /nfs/dbraw/zinc/35/92/40/843359240.db2.gz SXAFHWRZSBWDHG-KTKRTIGZSA-N 0 0 387.524 3.899 10 0 GHAERN Cc1nc(C)c(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000408397662 843491803 /nfs/dbraw/zinc/49/18/03/843491803.db2.gz VVAOCWOHWIBBAF-HQHQJUQOSA-N 0 0 387.549 3.906 10 0 GHAERN COC(=O)CCN(c1ccccc1C)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000588458312 843545613 /nfs/dbraw/zinc/54/56/13/843545613.db2.gz SIROSGPRVTVCGX-OWBHPGMISA-N 0 0 377.437 3.504 10 0 GHAERN Cc1cnn([C@H]2CCN(C(=O)N[C@H]3CCc4cc(Br)ccc43)C2)c1 ZINC000332903546 844639153 /nfs/dbraw/zinc/63/91/53/844639153.db2.gz XHIDZLGOMNSVCF-RDJZCZTQSA-N 0 0 389.297 3.598 10 0 GHAERN O=C(c1noc2c1CCCCC2)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000408439169 844654669 /nfs/dbraw/zinc/65/46/69/844654669.db2.gz OOQCXCUKDFEDOC-NSHDSACASA-N 0 0 382.386 3.705 10 0 GHAERN COC1(C(F)(F)F)CCN(C(=O)N[C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000333395200 845125120 /nfs/dbraw/zinc/12/51/20/845125120.db2.gz AEQQVOGWSCTUIC-QWHCGFSZSA-N 0 0 392.443 3.721 10 0 GHAERN CC(C)c1ccc(N2CC[C@@H](C(=O)N3CCCc4c(N)cccc43)C2=O)cc1 ZINC000236644253 845148979 /nfs/dbraw/zinc/14/89/79/845148979.db2.gz YNIIOESAIVOXFI-LJQANCHMSA-N 0 0 377.488 3.725 10 0 GHAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000332978022 845219742 /nfs/dbraw/zinc/21/97/42/845219742.db2.gz JCHGYTCIDCFMRY-IHPCNDPISA-N 0 0 386.536 3.829 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N1CC[C@H](O)C12CCCC2 ZINC000332993566 845367345 /nfs/dbraw/zinc/36/73/45/845367345.db2.gz LCLCFWCKDATEOX-HOTGVXAUSA-N 0 0 379.298 3.525 10 0 GHAERN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026088302 845438829 /nfs/dbraw/zinc/43/88/29/845438829.db2.gz LXFMYJNYTQVXCT-BFKIHDCISA-N 0 0 387.911 3.881 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(CCC(F)(F)F)cc2)C1 ZINC000151671201 845460253 /nfs/dbraw/zinc/46/02/53/845460253.db2.gz BGNYKBNVIKLJSA-SJORKVTESA-N 0 0 395.425 3.501 10 0 GHAERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cs1 ZINC000333528300 845729871 /nfs/dbraw/zinc/72/98/71/845729871.db2.gz PNCAQMBNCNPBSQ-VVILHGPQSA-N 0 0 375.538 3.565 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)CCO2)o1 ZINC000151829491 845831918 /nfs/dbraw/zinc/83/19/18/845831918.db2.gz LFZKIYUHZJHIBN-HXUWFJFHSA-N 0 0 394.427 3.955 10 0 GHAERN CCO[C@@H]1C[C@@H](OC(=O)/C=C\c2cnc(C(C)(C)C)s2)C12CCOCC2 ZINC000588492915 845988385 /nfs/dbraw/zinc/98/83/85/845988385.db2.gz UEQZHJGTAZVQBM-JTUDCUDASA-N 0 0 379.522 3.971 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)C2)n1 ZINC000246631726 846520719 /nfs/dbraw/zinc/52/07/19/846520719.db2.gz RLMQHJGEBBFQJH-FQELHTAISA-N 0 0 381.524 3.955 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000333555114 846790594 /nfs/dbraw/zinc/79/05/94/846790594.db2.gz GGCVHXNGEBEFTA-PMPSAXMXSA-N 0 0 396.578 3.712 10 0 GHAERN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333615548 846994731 /nfs/dbraw/zinc/99/47/31/846994731.db2.gz FNWHJMAAYFIXFT-ACJLOTCBSA-N 0 0 394.313 3.880 10 0 GHAERN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128267885 846999124 /nfs/dbraw/zinc/99/91/24/846999124.db2.gz OFKNTODOUPZXNY-MEBBXXQBSA-N 0 0 398.739 3.963 10 0 GHAERN O=C(/C=C\c1ccccc1Cl)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 ZINC000588525367 847414692 /nfs/dbraw/zinc/41/46/92/847414692.db2.gz OCZYMOZEPJBKAF-YVMONPNESA-N 0 0 388.826 3.603 10 0 GHAERN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588527844 847659310 /nfs/dbraw/zinc/65/93/10/847659310.db2.gz VVBOMVXJATWUAA-HJWXVDRSSA-N 0 0 379.888 3.510 10 0 GHAERN CC(C)=C(F)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000152763065 847720969 /nfs/dbraw/zinc/72/09/69/847720969.db2.gz GMKGAZTURYOALR-UHFFFAOYSA-N 0 0 383.261 3.890 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCCCC[C@@H]2c2noc(C)n2)c2ccccc21 ZINC000329637576 861859659 /nfs/dbraw/zinc/85/96/59/861859659.db2.gz AJQNPKCDXOLMNE-FXAWDEMLSA-N 0 0 396.491 3.752 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)Nc3cccc(OC[C@@H]4CCCO4)c3)CCO2)o1 ZINC000153381186 848422198 /nfs/dbraw/zinc/42/21/98/848422198.db2.gz YIHLIJQEYBBADV-AZUAARDMSA-N 0 0 386.448 3.751 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Oc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000153500450 848566934 /nfs/dbraw/zinc/56/69/34/848566934.db2.gz XOIFMMJVXRYYSO-QGZVFWFLSA-N 0 0 391.475 3.581 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)cc1 ZINC000153626630 848790294 /nfs/dbraw/zinc/79/02/94/848790294.db2.gz BPRVMWUNTCKYFQ-UKRRQHHQSA-N 0 0 381.432 3.550 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C(=O)NCC(C)C)cc3C)CCO2)o1 ZINC000153798215 849019180 /nfs/dbraw/zinc/01/91/80/849019180.db2.gz PUNLKBUCISRLME-FQEVSTJZSA-N 0 0 399.491 3.888 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C(=O)NC(C)C)c(C)c3)CCO2)o1 ZINC000154029674 849172205 /nfs/dbraw/zinc/17/22/05/849172205.db2.gz RTPUYMYKQHBZGE-IBGZPJMESA-N 0 0 385.464 3.640 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)CCO2)o1 ZINC000154058671 849177205 /nfs/dbraw/zinc/17/72/05/849177205.db2.gz HOXIJYYUUAXVSQ-SFHVURJKSA-N 0 0 385.464 3.722 10 0 GHAERN C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1)c1ccncc1 ZINC000154076009 849181707 /nfs/dbraw/zinc/18/17/07/849181707.db2.gz WKYATQPJUGXEII-JTSKRJEESA-N 0 0 385.467 3.526 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3NCc3cccnc3)CCO2)o1 ZINC000154217262 849220457 /nfs/dbraw/zinc/22/04/57/849220457.db2.gz KLLJUNQWVLLKIM-NRFANRHFSA-N 0 0 377.444 3.809 10 0 GHAERN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000154337184 849258571 /nfs/dbraw/zinc/25/85/71/849258571.db2.gz RTGTUIABUCFLJT-QGZVFWFLSA-N 0 0 377.488 3.684 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2nnc(-c3ccccc3)s2)CC1 ZINC000155228501 849483146 /nfs/dbraw/zinc/48/31/46/849483146.db2.gz NQQAYGZIIFIOSY-UHFFFAOYSA-N 0 0 384.530 3.615 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CC[C@H](COCc2ccccc2)C1 ZINC000155416583 849525155 /nfs/dbraw/zinc/52/51/55/849525155.db2.gz QRZMXIOLCVQNAB-IBGZPJMESA-N 0 0 399.560 3.965 10 0 GHAERN Cc1ccn(C)c(=O)c1NC(=O)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000155507774 849555055 /nfs/dbraw/zinc/55/50/55/849555055.db2.gz RLLMHJGFBZWZEK-UHFFFAOYSA-N 0 0 380.423 3.635 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(-n2ccnn2)cc1 ZINC000121700657 849575509 /nfs/dbraw/zinc/57/55/09/849575509.db2.gz ZDWJDXZIJPTVOF-QEJZJMRPSA-N 0 0 381.402 3.749 10 0 GHAERN Cc1ccc([C@H]2CCCCCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000155996308 849726331 /nfs/dbraw/zinc/72/63/31/849726331.db2.gz DNCMYACFALKIIX-GOSISDBHSA-N 0 0 383.496 3.674 10 0 GHAERN CNC(=O)c1ccc(NC(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cc1Cl ZINC000101748221 851866866 /nfs/dbraw/zinc/86/68/66/851866866.db2.gz RKCULHBXJCTEML-UHFFFAOYSA-N 0 0 389.883 3.989 10 0 GHAERN Cc1cccc(CNC(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)n1 ZINC000101797823 851916682 /nfs/dbraw/zinc/91/66/82/851916682.db2.gz QVSPVMZBWDPDAJ-NRFANRHFSA-N 0 0 385.471 3.866 10 0 GHAERN CC(=O)N1C[C@H](CCC(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c2ccccc21 ZINC000329798678 862328016 /nfs/dbraw/zinc/32/80/16/862328016.db2.gz GRKIMECLFUVWGO-FBBABVLZSA-N 0 0 382.504 3.667 10 0 GHAERN C[C@@]12CN(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333884508 852231336 /nfs/dbraw/zinc/23/13/36/852231336.db2.gz XDPPETRFIVVXKC-WHLIWEHUSA-N 0 0 395.547 3.890 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]1O ZINC000333963252 853280114 /nfs/dbraw/zinc/28/01/14/853280114.db2.gz NRRUVAGONNXPNY-SVBLFDIKSA-N 0 0 392.443 3.741 10 0 GHAERN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000171663315 853573251 /nfs/dbraw/zinc/57/32/51/853573251.db2.gz LMGJDPLWEKNNAD-HNNXBMFYSA-N 0 0 387.896 3.841 10 0 GHAERN COc1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)[C@@H](C1CCCCC1)C2 ZINC000330004002 862498814 /nfs/dbraw/zinc/49/88/14/862498814.db2.gz ATXLCYLYCFHKNS-AABGKKOBSA-N 0 0 386.492 3.612 10 0 GHAERN O=C(N[C@@H]1c2ccccc2C[C@H]1O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123498489 854425114 /nfs/dbraw/zinc/42/51/14/854425114.db2.gz RBSFWTWLFMJCSR-SFHLNBCPSA-N 0 0 378.472 3.781 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000328948398 854613491 /nfs/dbraw/zinc/61/34/91/854613491.db2.gz HBACPWXFKYURBF-ULQDDVLXSA-N 0 0 393.409 3.749 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(c1ccnc(N[C@H]3CCCO[C@@H]3C(C)C)n1)C2 ZINC000330142901 862610672 /nfs/dbraw/zinc/61/06/72/862610672.db2.gz QUVLORMQEZVRBD-OXJNMPFZSA-N 0 0 398.555 3.512 10 0 GHAERN C[C@H](c1ccccc1)S(=O)(=O)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000105713284 855136024 /nfs/dbraw/zinc/13/60/24/855136024.db2.gz CQRPYNQNHMXPAD-CYBMUJFWSA-N 0 0 383.872 3.614 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)C1 ZINC000190147771 855419834 /nfs/dbraw/zinc/41/98/34/855419834.db2.gz TZWWCQRPVXKQHZ-TXPKVOOTSA-N 0 0 398.507 3.705 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2oc3ccc(OC)cc3c2C)C[C@H]1C ZINC000190567099 855488873 /nfs/dbraw/zinc/48/88/73/855488873.db2.gz NRLFWZFYUUDKIS-XNRPHZJLSA-N 0 0 388.464 3.651 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)Cc2c(Cl)cccc2Cl)C[C@H]1C ZINC000191305005 855618903 /nfs/dbraw/zinc/61/89/03/855618903.db2.gz ACBRTFLTKNXJDW-FRRDWIJNSA-N 0 0 387.307 3.765 10 0 GHAERN Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)cc1 ZINC000330293308 862748373 /nfs/dbraw/zinc/74/83/73/862748373.db2.gz HQXGOCSASIIXDZ-QRVBRYPASA-N 0 0 399.491 3.569 10 0 GHAERN O=C([C@@H]1CCCN(c2ncccn2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000030221839 856095540 /nfs/dbraw/zinc/09/55/40/856095540.db2.gz QRNQIQPVDPIZCK-LJQANCHMSA-N 0 0 376.460 3.515 10 0 GHAERN CC(=O)Nc1cc(C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)ccc1C ZINC000104121105 856312609 /nfs/dbraw/zinc/31/26/09/856312609.db2.gz TWIDOIQZGDJTAB-MRXNPFEDSA-N 0 0 383.467 3.612 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 ZINC000186014521 856478346 /nfs/dbraw/zinc/47/83/46/856478346.db2.gz KGKJRVHBAPWHFR-UHFFFAOYSA-N 0 0 375.423 3.541 10 0 GHAERN COc1c(C)ccc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c1C ZINC000186084715 856504333 /nfs/dbraw/zinc/50/43/33/856504333.db2.gz MNGOCYXARZLGRN-UHFFFAOYSA-N 0 0 397.523 3.888 10 0 GHAERN CCCOc1ccc(OCC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 ZINC000043975235 856614080 /nfs/dbraw/zinc/61/40/80/856614080.db2.gz IZVNGWOPHHOUPZ-LJQANCHMSA-N 0 0 398.507 3.536 10 0 GHAERN C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCC[C@H](c3nnc4ccccn43)C2)o1 ZINC000045865621 856777578 /nfs/dbraw/zinc/77/75/78/856777578.db2.gz VSGDBLSBCPWXSQ-GSDQJTGLSA-N 0 0 376.460 3.865 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(N2CCCC2)nn1 ZINC000129532390 857363776 /nfs/dbraw/zinc/36/37/76/857363776.db2.gz DTWDDZRGUFXKNT-GOSISDBHSA-N 0 0 378.476 3.643 10 0 GHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(N2CCCC2)nn1 ZINC000129532651 857364021 /nfs/dbraw/zinc/36/40/21/857364021.db2.gz DTWDDZRGUFXKNT-SFHVURJKSA-N 0 0 378.476 3.643 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000156692034 857808575 /nfs/dbraw/zinc/80/85/75/857808575.db2.gz JHGWRVBOEYHFKE-GDBMZVCRSA-N 0 0 385.512 3.631 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000131845572 857837466 /nfs/dbraw/zinc/83/74/66/857837466.db2.gz PGEAKTMHZNNBAJ-MOPGFXCFSA-N 0 0 398.503 3.809 10 0 GHAERN C[C@H]1CCCN(c2cc(N3CCC[C@H]3c3nc4c(n3C)CCCC4)ncn2)C1 ZINC000330346328 863030153 /nfs/dbraw/zinc/03/01/53/863030153.db2.gz GJROYXAJOOGXFL-LPHOPBHVSA-N 0 0 380.540 3.667 10 0 GHAERN Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000194572212 859064958 /nfs/dbraw/zinc/06/49/58/859064958.db2.gz ROZBCNWPMXQPJJ-JSGCOSHPSA-N 0 0 388.541 3.851 10 0 GHAERN C[C@H]1CC[C@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)c2ccccc21 ZINC000185716477 859120625 /nfs/dbraw/zinc/12/06/25/859120625.db2.gz LVQDGFRPNFKFQU-KXBFYZLASA-N 0 0 384.501 3.624 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248183090 859168157 /nfs/dbraw/zinc/16/81/57/859168157.db2.gz WTGIZOXGXZSQNN-HFJQGTKSSA-N 0 0 399.535 3.860 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCC2 ZINC000135373681 859498479 /nfs/dbraw/zinc/49/84/79/859498479.db2.gz KFHJHVWIZYXWBS-IACUBPJLSA-N 0 0 378.398 3.614 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)NCc2cccc(Br)c2)C1 ZINC000172456241 860433203 /nfs/dbraw/zinc/43/32/03/860433203.db2.gz HPOLGHNFWFSUJB-INIZCTEOSA-N 0 0 391.313 3.755 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)C2)n1 ZINC000173062820 860435790 /nfs/dbraw/zinc/43/57/90/860435790.db2.gz SYXIEYULDSGRLO-QXAKKESOSA-N 0 0 397.544 3.767 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](c3ccccc3)N3CCCCC3=O)C2)n1 ZINC000173070596 860435965 /nfs/dbraw/zinc/43/59/65/860435965.db2.gz CYJULYLSGBQJOX-QUCCMNQESA-N 0 0 397.544 3.911 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](N4CCOCC4)C3)cc2)cc1 ZINC000173778717 860443525 /nfs/dbraw/zinc/44/35/25/860443525.db2.gz DEFVXNOLSJARCC-LJQANCHMSA-N 0 0 381.476 3.726 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)C2)n1 ZINC000173065946 860618149 /nfs/dbraw/zinc/61/81/49/860618149.db2.gz QOJGAMIAMSRDIA-OCCSQVGLSA-N 0 0 387.530 3.904 10 0 GHAERN COc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)cc1F ZINC000102979384 860928034 /nfs/dbraw/zinc/92/80/34/860928034.db2.gz BQHXREGSJJIFDN-IFXJQAMLSA-N 0 0 399.528 3.784 10 0 GHAERN COc1cc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@]3(C)O)[nH]c2cc1OC ZINC000329061340 860984746 /nfs/dbraw/zinc/98/47/46/860984746.db2.gz NNPFXTPDTHAXFB-LDJQZATESA-N 0 0 386.492 3.731 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)n1 ZINC000329080106 861001467 /nfs/dbraw/zinc/00/14/67/861001467.db2.gz CKOKBOQGIMFHHO-JKSUJKDBSA-N 0 0 377.554 3.790 10 0 GHAERN Cc1ccc(N(C)C2CCN(C(=O)Cc3coc4c3ccc(C)c4C)CC2)nn1 ZINC000329199236 861127861 /nfs/dbraw/zinc/12/78/61/861127861.db2.gz AWVPDFVURAIUHY-UHFFFAOYSA-N 0 0 392.503 3.818 10 0 GHAERN CN(C(=O)N[C@@H]1c2ccccc2CCC1(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000153034764 863135274 /nfs/dbraw/zinc/13/52/74/863135274.db2.gz MANCJNJBMDATSG-GHTZIAJQSA-N 0 0 393.535 3.801 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)N[C@H]1CCOc3ccccc31)CC2 ZINC000176895908 863258902 /nfs/dbraw/zinc/25/89/02/863258902.db2.gz WTYXTMAEZBHSTR-LRDDRELGSA-N 0 0 391.393 3.549 10 0 GHAERN O=C(CNC(=O)NC1CCCCC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151712632 863924570 /nfs/dbraw/zinc/92/45/70/863924570.db2.gz BLAGQKIFWHRIAZ-GOSISDBHSA-N 0 0 385.508 3.571 10 0 GHAERN COC(=O)c1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1C ZINC000103294873 863943740 /nfs/dbraw/zinc/94/37/40/863943740.db2.gz DVFFRMMGLNKBDB-UHFFFAOYSA-N 0 0 397.406 3.940 10 0 GHAERN COC(=O)c1cc(CN(C)C(=O)NCCc2c[nH]c3cccc(C)c23)oc1C ZINC000103317315 863956283 /nfs/dbraw/zinc/95/62/83/863956283.db2.gz KFGWWXVIKJWBPC-UHFFFAOYSA-N 0 0 383.448 3.548 10 0 GHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c21 ZINC000103361673 863971843 /nfs/dbraw/zinc/97/18/43/863971843.db2.gz WNXUKSBCXPDEAK-UHFFFAOYSA-N 0 0 389.499 3.574 10 0 GHAERN O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(-n2cnnn2)cc1Cl ZINC000103755894 864083307 /nfs/dbraw/zinc/08/33/07/864083307.db2.gz ZZKXTRHXHBFBMA-UHFFFAOYSA-N 0 0 382.836 3.692 10 0 GHAERN CC(C)COC1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000103767697 864087333 /nfs/dbraw/zinc/08/73/33/864087333.db2.gz YRRCVPPFTZAKGI-UHFFFAOYSA-N 0 0 392.393 3.638 10 0 GHAERN O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc(-n2cnnn2)cc1Cl ZINC000103776639 864090440 /nfs/dbraw/zinc/09/04/40/864090440.db2.gz FPIRARMXPUDOLE-UHFFFAOYSA-N 0 0 396.665 3.595 10 0 GHAERN COc1ccc(N(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)[C@H](C)C2CC2)cc1 ZINC000103942873 864093956 /nfs/dbraw/zinc/09/39/56/864093956.db2.gz XROUKOZVFAKJOC-ZIAGYGMSSA-N 0 0 380.444 3.860 10 0 GHAERN COc1ccccc1CCN(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000104457452 864324679 /nfs/dbraw/zinc/32/46/79/864324679.db2.gz XWYRLBXXEMIJOS-LJQANCHMSA-N 0 0 395.503 3.640 10 0 GHAERN CCc1cc(N2CCC[C@H]2c2nncn2CC(C)C)nc(-c2ccccn2)n1 ZINC000301359018 865310819 /nfs/dbraw/zinc/31/08/19/865310819.db2.gz LMLRAGHWMYMUJM-SFHVURJKSA-N 0 0 377.496 3.690 10 0 GHAERN CC(C)(C)n1ncc2c1nc(N1CCC(Nc3ccccc3F)CC1)[nH]c2=O ZINC000301404028 865340732 /nfs/dbraw/zinc/34/07/32/865340732.db2.gz FHLPWSOKKCCLHT-UHFFFAOYSA-N 0 0 384.459 3.507 10 0 GHAERN O=C(c1ccncc1)N1CCCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000301593701 865443960 /nfs/dbraw/zinc/44/39/60/865443960.db2.gz DWVASWSQBXTTDE-UHFFFAOYSA-N 0 0 382.464 3.697 10 0 GHAERN COc1cc(OC)cc(C2(O)CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC000301660897 865482337 /nfs/dbraw/zinc/48/23/37/865482337.db2.gz UNAZNSMPKNFCFD-UHFFFAOYSA-N 0 0 382.382 3.606 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3ccccc32)C1 ZINC000301763853 865528145 /nfs/dbraw/zinc/52/81/45/865528145.db2.gz MYFCFEUFDNNHBJ-WIYYLYMNSA-N 0 0 399.498 3.980 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)c2)C[C@@H](C)O1 ZINC000248801030 866503342 /nfs/dbraw/zinc/50/33/42/866503342.db2.gz AHDKDERAUGGSDV-KBUPBQIOSA-N 0 0 385.430 3.546 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)c3c2CCC3)c(F)c1 ZINC000113888737 866760473 /nfs/dbraw/zinc/76/04/73/866760473.db2.gz BAXMQUAPWPCELA-SFHVURJKSA-N 0 0 393.466 3.899 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000169857145 882030002 /nfs/dbraw/zinc/03/00/02/882030002.db2.gz WPOWUNRNCBUDJV-UHFFFAOYSA-N 0 0 393.325 3.750 10 0 GHAERN CC1(C)C[C@H](NC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c2ccccc2O1 ZINC000163266795 882053073 /nfs/dbraw/zinc/05/30/73/882053073.db2.gz ANRKCERRSBDSKX-RDJZCZTQSA-N 0 0 395.507 3.874 10 0 GHAERN CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000170818404 882058197 /nfs/dbraw/zinc/05/81/97/882058197.db2.gz JQORTPYJSSKHIG-MOPGFXCFSA-N 0 0 377.492 3.640 10 0 GHAERN O=C(CCCc1nc(-c2cccs2)no1)N1CCC[C@@H](c2nccs2)C1 ZINC000170890074 882067272 /nfs/dbraw/zinc/06/72/72/882067272.db2.gz SJWYJJQWIQAVMJ-CYBMUJFWSA-N 0 0 388.518 3.984 10 0 GHAERN Cc1sc2ncnc(SCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c2c1C ZINC000151451913 867514482 /nfs/dbraw/zinc/51/44/82/867514482.db2.gz IYGNZIHQRJPHHE-KUHUBIRLSA-N 0 0 391.562 3.554 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)/C=C/c3c(F)cccc3F)CC2)c(C)o1 ZINC000171289754 882094378 /nfs/dbraw/zinc/09/43/78/882094378.db2.gz YVUHTANLTRNERB-VOTSOKGWSA-N 0 0 388.414 3.609 10 0 GHAERN COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171641613 882119999 /nfs/dbraw/zinc/11/99/99/882119999.db2.gz VMAMAKHLWRLYKO-KBPBESRZSA-N 0 0 390.530 3.817 10 0 GHAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cc2ccccc2s1 ZINC000171545334 882141423 /nfs/dbraw/zinc/14/14/23/882141423.db2.gz JJYQNHSFHCTJLZ-CQSZACIVSA-N 0 0 381.505 3.721 10 0 GHAERN O=C(NC[C@H]1CCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171883344 882147465 /nfs/dbraw/zinc/14/74/65/882147465.db2.gz JSHZPNCPZJNYKM-LJQANCHMSA-N 0 0 380.463 3.524 10 0 GHAERN C[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1cccc(Cl)c1Cl ZINC000172224402 882188600 /nfs/dbraw/zinc/18/86/00/882188600.db2.gz KHOLPSVGBWLCNY-LLVKDONJSA-N 0 0 391.262 3.530 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cccn3Cc3cccs3)CC2)n1 ZINC000172316587 882197970 /nfs/dbraw/zinc/19/79/70/882197970.db2.gz FFYAOAJNXHWMBY-UHFFFAOYSA-N 0 0 380.517 3.700 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000172638608 882281396 /nfs/dbraw/zinc/28/13/96/882281396.db2.gz XLUZFSXBOHTXFC-MOPGFXCFSA-N 0 0 393.487 3.883 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000172856470 882313844 /nfs/dbraw/zinc/31/38/44/882313844.db2.gz MCYMFKMEKQHNJP-OAQYLSRUSA-N 0 0 391.515 3.516 10 0 GHAERN Cn1ccc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc21 ZINC000172873842 882315962 /nfs/dbraw/zinc/31/59/62/882315962.db2.gz LCQCULGBKXKYFV-UHFFFAOYSA-N 0 0 379.435 3.808 10 0 GHAERN COCCOCc1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1F ZINC000173064473 882318213 /nfs/dbraw/zinc/31/82/13/882318213.db2.gz YWQUBDHDFDJWGV-UHFFFAOYSA-N 0 0 375.465 3.980 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)C2)n1 ZINC000173068138 882318329 /nfs/dbraw/zinc/31/83/29/882318329.db2.gz FZSBFGXNSZFGLW-PMQIGOLDSA-N 0 0 395.528 3.763 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000172915211 882323753 /nfs/dbraw/zinc/32/37/53/882323753.db2.gz NEUJIEHLQKVSJY-FCHUYYIVSA-N 0 0 396.487 3.639 10 0 GHAERN O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000173265131 882344736 /nfs/dbraw/zinc/34/47/36/882344736.db2.gz NPHQDXQINBCHAU-UHFFFAOYSA-N 0 0 385.365 3.693 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)n1 ZINC000173954482 869910032 /nfs/dbraw/zinc/91/00/32/869910032.db2.gz CYDZQMPYIBRXKH-HZPDHXFCSA-N 0 0 389.565 3.764 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@](=O)Cc2ccc(Cl)cc2)cc1 ZINC000173141046 882352416 /nfs/dbraw/zinc/35/24/16/882352416.db2.gz XMJIYHIYPKVKNE-NIYFSFCBSA-N 0 0 391.920 3.961 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2ccnc2)c1 ZINC000173456892 882362278 /nfs/dbraw/zinc/36/22/78/882362278.db2.gz IPILUWJHGBYWKR-WBVHZDCISA-N 0 0 381.505 3.979 10 0 GHAERN C[C@H](NC(=O)NCC[C@@H]1c2ccccc2NC1=O)c1nc(C2CCCCC2)no1 ZINC000173463002 882363000 /nfs/dbraw/zinc/36/30/00/882363000.db2.gz AQCCFAAOVHLJCS-XJKSGUPXSA-N 0 0 397.479 3.604 10 0 GHAERN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000185507770 870210504 /nfs/dbraw/zinc/21/05/04/870210504.db2.gz SNSRIAPKQWXWFW-QFIXIFRTSA-N 0 0 398.528 3.918 10 0 GHAERN CCc1c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cnn1-c1ccc(Cl)cc1 ZINC000186157324 870226375 /nfs/dbraw/zinc/22/63/75/870226375.db2.gz BWTTXFHROWIMGR-BTYIYWSLSA-N 0 0 387.911 3.855 10 0 GHAERN CC(C)n1ccnc1CS(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000173940961 882397474 /nfs/dbraw/zinc/39/74/74/882397474.db2.gz KNSGBADFUXHSLK-UHFFFAOYSA-N 0 0 379.869 3.887 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2nc(C(C)C)no2)cc1 ZINC000173778278 882403090 /nfs/dbraw/zinc/40/30/90/882403090.db2.gz ILBXSHKPWBFGHC-MRXNPFEDSA-N 0 0 375.494 3.799 10 0 GHAERN CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2cccnc2-n2cncn2)o1 ZINC000173803723 882406671 /nfs/dbraw/zinc/40/66/71/882406671.db2.gz XFGNGGFPODHDQB-CRAIPNDOSA-N 0 0 394.479 3.501 10 0 GHAERN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046483706 870435587 /nfs/dbraw/zinc/43/55/87/870435587.db2.gz NYMVCBHSGXQCTB-WOJBJXKFSA-N 0 0 388.471 3.718 10 0 GHAERN CC(C)c1nn(C)c(Cl)c1CN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000092644765 882409026 /nfs/dbraw/zinc/40/90/26/882409026.db2.gz ZOPDLRPPKPEZLX-UHFFFAOYSA-N 0 0 380.964 3.858 10 0 GHAERN O=C(CSCC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000174079757 882422521 /nfs/dbraw/zinc/42/25/21/882422521.db2.gz CYXFEEDACDKGIJ-UHFFFAOYSA-N 0 0 386.492 3.845 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCC(Nc3ccccc3F)CC2)C1 ZINC000174073217 882422722 /nfs/dbraw/zinc/42/27/22/882422722.db2.gz OCFNQXPXBJFSAQ-IRXDYDNUSA-N 0 0 389.515 3.513 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1N1C(=O)CCC1=O ZINC000114815795 870654911 /nfs/dbraw/zinc/65/49/11/870654911.db2.gz KBZNLCVYWNIUOV-CQSZACIVSA-N 0 0 398.488 3.516 10 0 GHAERN CCOc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000114821994 870707886 /nfs/dbraw/zinc/70/78/86/870707886.db2.gz PMJCVKPEKRYTHA-OAHLLOKOSA-N 0 0 375.494 3.640 10 0 GHAERN Cc1cc(NC(=O)N2CCC(c3ccnn3CCO)CC2)ccc1C(F)(F)F ZINC000174297832 882445447 /nfs/dbraw/zinc/44/54/47/882445447.db2.gz PNNFSRZOPPEXFQ-UHFFFAOYSA-N 0 0 396.413 3.614 10 0 GHAERN CC[C@@H](OC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccc(F)cc1F ZINC000174365690 882458501 /nfs/dbraw/zinc/45/85/01/882458501.db2.gz BSXWXAOSPCYLSH-LJQANCHMSA-N 0 0 388.414 3.907 10 0 GHAERN Cc1ccc(N2CCOC2=O)cc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000174527908 882478838 /nfs/dbraw/zinc/47/88/38/882478838.db2.gz QBNWJTJAMFERNS-AWEZNQCLSA-N 0 0 386.477 3.820 10 0 GHAERN Cc1cccc(O[C@@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000174665722 882491688 /nfs/dbraw/zinc/49/16/88/882491688.db2.gz XJINZCFTBJENNN-KRWDZBQOSA-N 0 0 398.478 3.570 10 0 GHAERN Cc1cccc([C@H](C)NC(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c1C ZINC000175002732 882513942 /nfs/dbraw/zinc/51/39/42/882513942.db2.gz BAACUFYHSYGQJA-KRWDZBQOSA-N 0 0 397.523 3.542 10 0 GHAERN O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCCn1c(=O)oc2ccccc21 ZINC000103221389 871499223 /nfs/dbraw/zinc/49/92/23/871499223.db2.gz TVYANUFIXZJACQ-AWEZNQCLSA-N 0 0 379.334 3.874 10 0 GHAERN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000175130196 882526571 /nfs/dbraw/zinc/52/65/71/882526571.db2.gz POZYLBTUWJVREP-FPOVZHCZSA-N 0 0 393.418 3.580 10 0 GHAERN CC(C)Nc1cc(F)ccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000175145871 882527978 /nfs/dbraw/zinc/52/79/78/882527978.db2.gz YSGVAPUWJRBSPS-UHFFFAOYSA-N 0 0 384.455 3.532 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)/C=C/c3ccc(NC(C)=O)cc3)C2)c1 ZINC000175404530 882552010 /nfs/dbraw/zinc/55/20/10/882552010.db2.gz VNCNQPQUUAQUKC-AHKGRUIUSA-N 0 0 394.471 3.692 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccccc3-c3nc(C)no3)C2)c1 ZINC000175406571 882553263 /nfs/dbraw/zinc/55/32/63/882553263.db2.gz SJHJXLADWOOXGU-OAHLLOKOSA-N 0 0 393.443 3.692 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CSCc3c(C)noc3C)C2)c1 ZINC000175411285 882553669 /nfs/dbraw/zinc/55/36/69/882553669.db2.gz BABIDVGHGVLOJK-HNNXBMFYSA-N 0 0 390.505 3.558 10 0 GHAERN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ncncc1Cl)c1ccccc1 ZINC000175171218 882554861 /nfs/dbraw/zinc/55/48/61/882554861.db2.gz VQIMWEYDZMOTOT-KRWDZBQOSA-N 0 0 377.835 3.536 10 0 GHAERN C[C@@H]1C[C@H]1[C@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000175460302 882583339 /nfs/dbraw/zinc/58/33/39/882583339.db2.gz ZBFCVAWCCOQXTJ-FSPWUOQZSA-N 0 0 396.882 3.512 10 0 GHAERN COCCCOc1ccccc1NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000175499564 882586715 /nfs/dbraw/zinc/58/67/15/882586715.db2.gz RJKANXPDOZDPSO-UHFFFAOYSA-N 0 0 398.507 3.596 10 0 GHAERN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)C[C@@H]1CCCO1 ZINC000101691347 872199612 /nfs/dbraw/zinc/19/96/12/872199612.db2.gz WHKMEYVWGMMOGO-AWEZNQCLSA-N 0 0 382.291 3.798 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCCC[C@H]2c2cccn2C)c1 ZINC000175572026 882599351 /nfs/dbraw/zinc/59/93/51/882599351.db2.gz YQJLZPFFIUPXQX-IBGZPJMESA-N 0 0 383.496 3.555 10 0 GHAERN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCCCn2c(C)nc3ccccc32)C1 ZINC000102125498 872616215 /nfs/dbraw/zinc/61/62/15/872616215.db2.gz NCLOZGLOXTVPKL-SJLPKXTDSA-N 0 0 385.508 3.563 10 0 GHAERN C[C@@H](Cc1ccccc1)OC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 ZINC000102134151 872627966 /nfs/dbraw/zinc/62/79/66/872627966.db2.gz JXHGHKSFKCJWEN-IRXDYDNUSA-N 0 0 398.528 3.973 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000153242907 872646973 /nfs/dbraw/zinc/64/69/73/872646973.db2.gz DCDKDNVHBINLPY-MBOZVWFJSA-N 0 0 379.508 3.725 10 0 GHAERN O=C(c1cccc(CN2CCCC2=O)c1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176234558 882648904 /nfs/dbraw/zinc/64/89/04/882648904.db2.gz QFUFNWPPJFWMRD-OALUTQOASA-N 0 0 398.528 3.599 10 0 GHAERN NC(=O)c1ccc(C=CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1 ZINC000175967050 882652514 /nfs/dbraw/zinc/65/25/14/882652514.db2.gz KHSBZCHMWILIFG-IYJBSMEOSA-N 0 0 396.450 3.581 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000102320034 872898706 /nfs/dbraw/zinc/89/87/06/872898706.db2.gz DEZVRHBOAUZIAF-UHFFFAOYSA-N 0 0 375.837 3.647 10 0 GHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000176306539 882677527 /nfs/dbraw/zinc/67/75/27/882677527.db2.gz BRBYSZDCKOODEG-ZWKOTPCHSA-N 0 0 375.476 3.557 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CCCc3nc4ccccc4[nH]3)C2)c1 ZINC000176387324 882686891 /nfs/dbraw/zinc/68/68/91/882686891.db2.gz HYQXZOTYNKSYAY-INIZCTEOSA-N 0 0 393.487 3.919 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000102528710 873254094 /nfs/dbraw/zinc/25/40/94/873254094.db2.gz WALQTIFJIBQVII-QGZVFWFLSA-N 0 0 382.508 3.718 10 0 GHAERN CC(C)(C)c1nc(CC(=O)NCc2ccc(N3CCCCC3=O)cc2)cs1 ZINC000102606869 873331848 /nfs/dbraw/zinc/33/18/48/873331848.db2.gz LFOCDWIOYDSAET-UHFFFAOYSA-N 0 0 385.533 3.816 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000176620765 882720689 /nfs/dbraw/zinc/72/06/89/882720689.db2.gz MURURAWRRSHLND-UHFFFAOYSA-N 0 0 383.517 3.921 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)C3(O)CCCC3)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000102792016 873586781 /nfs/dbraw/zinc/58/67/81/873586781.db2.gz YMTXKNUDYBYZKW-CHWSQXEVSA-N 0 0 386.414 3.563 10 0 GHAERN CCCc1c(C(=O)NC2CCN(c3cccc(C)n3)CC2)[nH]c(C)c1C(C)=O ZINC000116666806 873614756 /nfs/dbraw/zinc/61/47/56/873614756.db2.gz FRPMWCKXRDWMDV-UHFFFAOYSA-N 0 0 382.508 3.580 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000176835800 882742752 /nfs/dbraw/zinc/74/27/52/882742752.db2.gz ZEJFYYOVLDCRJP-HWWNHIDJSA-N 0 0 390.439 3.867 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N1CCCN(c2cccnn2)CC1)c1cccc(F)c1 ZINC000176876924 882745537 /nfs/dbraw/zinc/74/55/37/882745537.db2.gz FVUJZDSBJNFAFH-LJQANCHMSA-N 0 0 385.487 3.625 10 0 GHAERN Cc1sc2ncn(NC(=O)c3ccc(C)nc3C)c(=O)c2c1-c1ccccc1 ZINC000102831922 873663430 /nfs/dbraw/zinc/66/34/30/873663430.db2.gz YNRFMDXERNMGAM-UHFFFAOYSA-N 0 0 390.468 3.829 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H](O)c3ccc(Cl)cc3)cc2)n1 ZINC000102892325 873797215 /nfs/dbraw/zinc/79/72/15/873797215.db2.gz QGLBCCZDALSPGM-HXUWFJFHSA-N 0 0 383.879 3.665 10 0 GHAERN CCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)c1C ZINC000004305947 874215371 /nfs/dbraw/zinc/21/53/71/874215371.db2.gz GMCSPHIOMZCTLZ-QFIPXVFZSA-N 0 0 381.476 3.555 10 0 GHAERN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CC=C(c2cccs2)CC1 ZINC000117895885 874231000 /nfs/dbraw/zinc/23/10/00/874231000.db2.gz KURMUCPQJVIIFR-KRWDZBQOSA-N 0 0 397.544 3.597 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177511326 882809870 /nfs/dbraw/zinc/80/98/70/882809870.db2.gz WTBAVRACVGJZLA-NSHDSACASA-N 0 0 397.472 3.803 10 0 GHAERN O=C(Nc1ccc(-c2nccs2)cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177514181 882810590 /nfs/dbraw/zinc/81/05/90/882810590.db2.gz DWZQYXVQVGQERG-CQSZACIVSA-N 0 0 398.513 3.611 10 0 GHAERN CS(=O)(=O)Cc1ccccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000118017297 874318185 /nfs/dbraw/zinc/31/81/85/874318185.db2.gz GTOFEPMRITXMKK-UHFFFAOYSA-N 0 0 376.503 3.614 10 0 GHAERN O=C(CN1CC[C@@H](Oc2cccnc2)C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178039789 882859057 /nfs/dbraw/zinc/85/90/57/882859057.db2.gz PVFZFJMRRTUKNP-CYBMUJFWSA-N 0 0 399.800 3.846 10 0 GHAERN Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000178055725 882861391 /nfs/dbraw/zinc/86/13/91/882861391.db2.gz QEZRRIMRIUVTQF-KRWDZBQOSA-N 0 0 392.459 3.950 10 0 GHAERN O=C(Nc1c(F)cc(Br)cc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000119279643 875046612 /nfs/dbraw/zinc/04/66/12/875046612.db2.gz ZCSNKIRZUDBPAM-GFCCVEGCSA-N 0 0 398.207 3.808 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178342082 882904631 /nfs/dbraw/zinc/90/46/31/882904631.db2.gz FHPRPGVJUWJOKU-LAUBAEHRSA-N 0 0 382.847 3.702 10 0 GHAERN O=C(Cc1ccc(F)cc1Cl)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000178369484 882907904 /nfs/dbraw/zinc/90/79/04/882907904.db2.gz SKQWKNSFSXAXKE-UHFFFAOYSA-N 0 0 380.891 3.663 10 0 GHAERN CC(C)[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1nc2ccccc2[nH]1 ZINC000178398337 882909826 /nfs/dbraw/zinc/90/98/26/882909826.db2.gz WMZFILNVNHXVJV-LPHOPBHVSA-N 0 0 379.464 3.518 10 0 GHAERN O=C(c1ccccc1COC1CCOCC1)N1CCC[C@@H](c2nccs2)C1 ZINC000178733749 882916496 /nfs/dbraw/zinc/91/64/96/882916496.db2.gz MKLHRNQODULTCD-MRXNPFEDSA-N 0 0 386.517 3.859 10 0 GHAERN CCOc1c(Br)cc(C(=O)OCCc2cccnc2)cc1OC ZINC000105555556 875327298 /nfs/dbraw/zinc/32/72/98/875327298.db2.gz KSTOYYXXVLYHLB-UHFFFAOYSA-N 0 0 380.238 3.651 10 0 GHAERN CC[C@@H](COC(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000105775169 875456677 /nfs/dbraw/zinc/45/66/77/875456677.db2.gz ZYOPSDBPJMNCEQ-AWEZNQCLSA-N 0 0 388.514 3.726 10 0 GHAERN Cc1nc([C@H](NC(=O)N2CCc3ccccc3[C@@H]2C)c2ccccc2F)no1 ZINC000178891116 882963328 /nfs/dbraw/zinc/96/33/28/882963328.db2.gz CHKJVOIBFOWDQH-ORAYPTAESA-N 0 0 380.423 3.935 10 0 GHAERN O=C(Nc1ccccc1O[C@H]1CCOC1)NC1CCN(c2cccs2)CC1 ZINC000120352241 875944635 /nfs/dbraw/zinc/94/46/35/875944635.db2.gz NYDCUYKPTZYPJE-INIZCTEOSA-N 0 0 387.505 3.706 10 0 GHAERN C[C@@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1c(F)cccc1F ZINC000179276280 882984938 /nfs/dbraw/zinc/98/49/38/882984938.db2.gz VAPGGUMZTRSANB-OAHLLOKOSA-N 0 0 378.463 3.710 10 0 GHAERN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CC=C(c2cccs2)CC1 ZINC000179291592 882986582 /nfs/dbraw/zinc/98/65/82/882986582.db2.gz RYAAJWBPVINKMV-SFHVURJKSA-N 0 0 395.528 3.596 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000179785659 883027539 /nfs/dbraw/zinc/02/75/39/883027539.db2.gz HCFMQNGVSGELRY-MOPGFXCFSA-N 0 0 377.444 3.914 10 0 GHAERN Cc1ccc([C@](O)(CC(=O)N2CCC[C@@H](c3nccs3)C2)C(F)(F)F)o1 ZINC000180025508 883045881 /nfs/dbraw/zinc/04/58/81/883045881.db2.gz PRAOLOUINFCSHW-MLGOLLRUSA-N 0 0 388.411 3.591 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000179953206 883040366 /nfs/dbraw/zinc/04/03/66/883040366.db2.gz JQXHJKQDQZJUKQ-CNBITHIKSA-N 0 0 395.381 3.560 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1noc(-c2ccccc2)n1 ZINC000121231618 876668547 /nfs/dbraw/zinc/66/85/47/876668547.db2.gz KVBROLQLRQXGED-DZGCQCFKSA-N 0 0 383.477 3.843 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1noc(-c2ccccc2)n1 ZINC000121231779 876668893 /nfs/dbraw/zinc/66/88/93/876668893.db2.gz KVBROLQLRQXGED-UKRRQHHQSA-N 0 0 383.477 3.843 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000180456874 883059718 /nfs/dbraw/zinc/05/97/18/883059718.db2.gz GBNCAUKBKKTGAC-MRXNPFEDSA-N 0 0 394.504 3.829 10 0 GHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180214450 883067684 /nfs/dbraw/zinc/06/76/84/883067684.db2.gz NSHWJSAINGRAIQ-KGLIPLIRSA-N 0 0 384.423 3.992 10 0 GHAERN Cc1nnc([C@H](NC(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000180242773 883068512 /nfs/dbraw/zinc/06/85/12/883068512.db2.gz QPNJBYIEULUMFA-BFUOFWGJSA-N 0 0 396.878 3.881 10 0 GHAERN CC[C@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(OC)cc1 ZINC000180695302 883094355 /nfs/dbraw/zinc/09/43/55/883094355.db2.gz UXMZBBZTXUTHGW-SFHVURJKSA-N 0 0 386.517 3.625 10 0 GHAERN COc1ccc(C[C@H](C)C(=O)N2CCC(Cc3ccccn3)CC2)cc1OC ZINC000180744403 883096879 /nfs/dbraw/zinc/09/68/79/883096879.db2.gz BOOPVTKWAZLLSN-KRWDZBQOSA-N 0 0 382.504 3.759 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3csc(-c4ccccn4)n3)CC2)nc1 ZINC000180864917 883105359 /nfs/dbraw/zinc/10/53/59/883105359.db2.gz RVNZHHKKPVQAIO-UHFFFAOYSA-N 0 0 380.473 3.592 10 0 GHAERN O=C(OCc1nc(C2CC2)cs1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000180940529 883111561 /nfs/dbraw/zinc/11/15/61/883111561.db2.gz MGNFIVCYRRUUQG-UHFFFAOYSA-N 0 0 388.464 3.755 10 0 GHAERN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129468892 877325411 /nfs/dbraw/zinc/32/54/11/877325411.db2.gz ZZSAIQYPJIHTFT-UYAOXDASSA-N 0 0 387.499 3.684 10 0 GHAERN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000249437157 879853442 /nfs/dbraw/zinc/85/34/42/879853442.db2.gz LFUBRZKUOWSMSP-CXMBCZLWSA-N 0 0 392.368 3.905 10 0 GHAERN CC1CCN(C(=O)c2ccccc2NC(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000123051138 879906550 /nfs/dbraw/zinc/90/65/50/879906550.db2.gz DYZMXUMQYNVOBE-HXUWFJFHSA-N 0 0 397.475 3.757 10 0 GHAERN CC1(C)CCC[C@H](C(=O)N2CCOC[C@@H]2c2nnc(-c3cccs3)o2)C1 ZINC000285919938 879941188 /nfs/dbraw/zinc/94/11/88/879941188.db2.gz GOINOLUBILAROJ-UONOGXRCSA-N 0 0 375.494 3.914 10 0 GHAERN C[C@@]1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1(Cl)Cl ZINC000181345293 883141270 /nfs/dbraw/zinc/14/12/70/883141270.db2.gz QOUXPZZFMAKBCA-GUYCJALGSA-N 0 0 379.291 3.762 10 0 GHAERN Cc1ccc(OC2CCN([C@H](C)C(=O)Nc3c(F)cccc3F)CC2)nc1 ZINC000181541777 883161881 /nfs/dbraw/zinc/16/18/81/883161881.db2.gz CKIUUDQVWPAKSP-CQSZACIVSA-N 0 0 375.419 3.539 10 0 GHAERN CSc1c(F)cc(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1F ZINC000181685950 883172470 /nfs/dbraw/zinc/17/24/70/883172470.db2.gz QENWHZOFRWEYCW-UHFFFAOYSA-N 0 0 391.443 3.573 10 0 GHAERN CN(Cc1cc(F)c(F)c(F)c1)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000181738117 883177092 /nfs/dbraw/zinc/17/70/92/883177092.db2.gz ZUYKMPMFAJVOOJ-OAHLLOKOSA-N 0 0 380.391 3.565 10 0 GHAERN C[C@@H](CC(=O)N1CCC(c2ccnn2CCO)CC1)Cc1ccc(Cl)cc1 ZINC000181921639 883193513 /nfs/dbraw/zinc/19/35/13/883193513.db2.gz RZYKKSUKPFOHEF-MRXNPFEDSA-N 0 0 389.927 3.504 10 0 GHAERN O=C(CSc1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181930431 883193895 /nfs/dbraw/zinc/19/38/95/883193895.db2.gz RSDXHXHZANXLQG-UHFFFAOYSA-N 0 0 395.528 3.527 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)C[C@@H](C)c2nccs2)c2ccccc2F)no1 ZINC000182026400 883200162 /nfs/dbraw/zinc/20/01/62/883200162.db2.gz RLEIIAPAMWZNFW-ABAIWWIYSA-N 0 0 389.456 3.508 10 0 GHAERN COc1ccccc1[C@H](N[C@@H](C)c1ccc2c(c1)OCCCO2)c1noc(C)n1 ZINC000182041813 883200863 /nfs/dbraw/zinc/20/08/63/883200863.db2.gz WVDVNGMGFXJYNG-QKKBWIMNSA-N 0 0 395.459 3.988 10 0 GHAERN COc1cc(/C=C/C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)cc(OC)c1OC ZINC000182105039 883205429 /nfs/dbraw/zinc/20/54/29/883205429.db2.gz YXYRCTAAPGMTEO-FKUVRRMFSA-N 0 0 382.460 3.730 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)[C@@H](C)c3c(C)nn(CC(F)(F)F)c3C)CCO2)o1 ZINC000182379287 883219340 /nfs/dbraw/zinc/21/93/40/883219340.db2.gz AKHPIDQLVFEXPP-BLLLJJGKSA-N 0 0 399.413 3.667 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)NCCCCNC(=O)OC(C)(C)C)C2)n1 ZINC000182802406 883220404 /nfs/dbraw/zinc/22/04/04/883220404.db2.gz PRMLRQNKYCYNRF-OAHLLOKOSA-N 0 0 396.557 3.645 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1ccc(Cl)cc1F ZINC000182914185 883249089 /nfs/dbraw/zinc/24/90/89/883249089.db2.gz CEFCZSDWRULQDZ-KRWDZBQOSA-N 0 0 379.867 3.814 10 0 GHAERN CC(C)(c1nnc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)s1)c1ccccc1 ZINC000183080550 883260742 /nfs/dbraw/zinc/26/07/42/883260742.db2.gz WAJOOLGILMMLOU-AWEZNQCLSA-N 0 0 397.508 3.741 10 0 GHAERN CCS[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000183207569 883272901 /nfs/dbraw/zinc/27/29/01/883272901.db2.gz ODAPNLNDFGNPDK-BRWVUGGUSA-N 0 0 391.585 3.915 10 0 GHAERN O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCc1ncc(-c2ccccc2)cn1 ZINC000184140785 883324950 /nfs/dbraw/zinc/32/49/50/883324950.db2.gz FEIVGUALPHSHFH-DHZHZOJOSA-N 0 0 381.439 3.659 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@H](C)c3ncc(C)s3)C2)c1 ZINC000184456590 883336020 /nfs/dbraw/zinc/33/60/20/883336020.db2.gz AEHUDDUDFSKCRY-ZFWWWQNUSA-N 0 0 389.521 3.771 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H]2CCc3cc(F)ccc32)c2ccc(F)cc2C1 ZINC000184635783 883368856 /nfs/dbraw/zinc/36/88/56/883368856.db2.gz OSWPNHIKLKHWHA-SFTDATJTSA-N 0 0 399.441 3.745 10 0 GHAERN COCC(=O)N1CCc2c1cccc2NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000184821724 883384070 /nfs/dbraw/zinc/38/40/70/883384070.db2.gz QZILSDPSCYQRKE-UHFFFAOYSA-N 0 0 391.471 3.543 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cnc(C(C)(C)C)nc2)c2ccc(F)cc2C1 ZINC000185276778 883430760 /nfs/dbraw/zinc/43/07/60/883430760.db2.gz HEVUXXOXECEUDH-GOSISDBHSA-N 0 0 399.470 3.528 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cccc(OC(F)F)c3)C2)c1 ZINC000102529390 883516376 /nfs/dbraw/zinc/51/63/76/883516376.db2.gz HNLBRKQKZBKVED-CQSZACIVSA-N 0 0 391.418 3.945 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCO[C@@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185522434 883550490 /nfs/dbraw/zinc/55/04/90/883550490.db2.gz OWNMSSCADADNTG-YWZLYKJASA-N 0 0 378.488 3.577 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCOc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185518219 883550546 /nfs/dbraw/zinc/55/05/46/883550546.db2.gz BFUFWLAPMALYPQ-OAQYLSRUSA-N 0 0 384.451 3.513 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)Oc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185540526 883552602 /nfs/dbraw/zinc/55/26/02/883552602.db2.gz RLFVZFDYTWUNHZ-QVKFZJNVSA-N 0 0 384.451 3.511 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c2ccc(F)cc2C1 ZINC000185558723 883556821 /nfs/dbraw/zinc/55/68/21/883556821.db2.gz LBDVVLAMARADHZ-WPFOTENUSA-N 0 0 392.474 3.639 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CSc2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000185561555 883557152 /nfs/dbraw/zinc/55/71/52/883557152.db2.gz YRHSVVHWYMIJRF-FQEVSTJZSA-N 0 0 386.492 3.836 10 0 GHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](Cc4nccn4C)C3)[nH]n2)c(C)c1 ZINC000186613614 883674836 /nfs/dbraw/zinc/67/48/36/883674836.db2.gz QOMREAYBCAONEA-KRWDZBQOSA-N 0 0 377.492 3.522 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3sccc3Br)ccc2NC1=O ZINC000186611813 883675358 /nfs/dbraw/zinc/67/53/58/883675358.db2.gz ZWKNEIORPSTMOU-UHFFFAOYSA-N 0 0 395.282 3.810 10 0 GHAERN COc1ccc(C(C)(C)CNC(=O)N2CCC(Nc3nccs3)CC2)cc1 ZINC000186640420 883678566 /nfs/dbraw/zinc/67/85/66/883678566.db2.gz KJDLTJMIRRUZDC-UHFFFAOYSA-N 0 0 388.537 3.715 10 0 GHAERN CCS(=O)(=O)c1c(Cl)cccc1CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000187088039 883753624 /nfs/dbraw/zinc/75/36/24/883753624.db2.gz OZJYTMQKKPRDTQ-KRWDZBQOSA-N 0 0 383.897 3.609 10 0 GHAERN CCS[C@H](C)c1noc(C[S@](=O)Cc2nc(-c3ccccc3F)no2)n1 ZINC000187080791 883753671 /nfs/dbraw/zinc/75/36/71/883753671.db2.gz BSFJRTGJMJTALP-SKVICXGVSA-N 0 0 396.469 3.522 10 0 GHAERN C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2ccnc2)c1 ZINC000187352279 883770666 /nfs/dbraw/zinc/77/06/66/883770666.db2.gz UYEPREAORQUVPN-OAHLLOKOSA-N 0 0 396.520 3.676 10 0 GHAERN Cc1cccc2nc(C3CCN(C(=O)NCC(=O)Nc4ccccc4)CC3)oc21 ZINC000187645606 883804776 /nfs/dbraw/zinc/80/47/76/883804776.db2.gz JCLNIDFCTNSJDB-UHFFFAOYSA-N 0 0 392.459 3.664 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000188794915 883873434 /nfs/dbraw/zinc/87/34/34/883873434.db2.gz QGGFIMNAYOMXFG-TZIWHRDSSA-N 0 0 378.472 3.690 10 0 GHAERN FC(F)(F)c1ccn(-c2ccc(CN[C@@H](c3ncc[nH]3)c3ccncc3)cc2)n1 ZINC000189085680 883902494 /nfs/dbraw/zinc/90/24/94/883902494.db2.gz LITJKWBSSKDSOA-GOSISDBHSA-N 0 0 398.392 3.888 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000189363573 883939742 /nfs/dbraw/zinc/93/97/42/883939742.db2.gz YRACTXRNNFKXGQ-QZTJIDSGSA-N 0 0 389.540 3.946 10 0 GHAERN O=C(CCc1nc(-c2ccsc2)no1)N1CC2(CCOCC2)c2ccccc21 ZINC000189782765 883995014 /nfs/dbraw/zinc/99/50/14/883995014.db2.gz BQJYAPKTYVPXSK-UHFFFAOYSA-N 0 0 395.484 3.826 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1F ZINC000189850125 884017163 /nfs/dbraw/zinc/01/71/63/884017163.db2.gz LYDOEBVAXXDMQZ-UHFFFAOYSA-N 0 0 397.446 3.892 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@@H]1C ZINC000189868877 884018725 /nfs/dbraw/zinc/01/87/25/884018725.db2.gz OMHUEQUIHYYDFJ-AAEUAGOBSA-N 0 0 384.423 3.805 10 0 GHAERN CC(C)(C)OC(=O)NC1(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)CCCC1 ZINC000190190520 884050530 /nfs/dbraw/zinc/05/05/30/884050530.db2.gz XVOHBPSCUUYFPH-ROUUACIJSA-N 0 0 388.508 3.718 10 0 GHAERN O=C(c1ccc(N2CCNC2=O)cc1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190274956 884062965 /nfs/dbraw/zinc/06/29/65/884062965.db2.gz HSHZNPKUJYAFEH-HNNXBMFYSA-N 0 0 385.414 3.514 10 0 GHAERN COc1ccc(F)cc1[C@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190285320 884064026 /nfs/dbraw/zinc/06/40/26/884064026.db2.gz MDQIWKIGLOKSAM-LBPRGKRZSA-N 0 0 378.473 3.638 10 0 GHAERN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC(Nc2nccs2)CC1 ZINC000190373157 884072559 /nfs/dbraw/zinc/07/25/59/884072559.db2.gz RPKCXHDMNJIAAS-UHFFFAOYSA-N 0 0 385.411 3.687 10 0 GHAERN O=C(Cc1cc(Br)ccc1F)N1CCC(Nc2nccs2)CC1 ZINC000190389348 884075236 /nfs/dbraw/zinc/07/52/36/884075236.db2.gz ANJPKRSILZGEOO-UHFFFAOYSA-N 0 0 398.301 3.690 10 0 GHAERN Cc1cc(Br)ccc1C(=O)N1CCC(Nc2nccs2)CC1 ZINC000190394020 884075321 /nfs/dbraw/zinc/07/53/21/884075321.db2.gz XXNCWKQBPLDGSI-UHFFFAOYSA-N 0 0 380.311 3.931 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(Nc2nccs2)CC1 ZINC000190407085 884078094 /nfs/dbraw/zinc/07/80/94/884078094.db2.gz ZDIAOGXCXQGDOP-UHFFFAOYSA-N 0 0 389.569 3.648 10 0 GHAERN C[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccc2c(c1)OCO2 ZINC000190719024 884102002 /nfs/dbraw/zinc/10/20/02/884102002.db2.gz IBJIICKMUQXXKI-OAHLLOKOSA-N 0 0 380.444 3.754 10 0 GHAERN CC(=O)OCCCc1cccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000190882876 884118859 /nfs/dbraw/zinc/11/88/59/884118859.db2.gz MPWMRWDSESAKQG-OAQYLSRUSA-N 0 0 381.476 3.901 10 0 GHAERN COc1cccc(OC)c1S(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000191147052 884156221 /nfs/dbraw/zinc/15/62/21/884156221.db2.gz DZGNFJHNCQWYLI-UHFFFAOYSA-N 0 0 393.848 3.986 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[S@@](=O)Cc2ccccc2Cl)cc1 ZINC000191202355 884162294 /nfs/dbraw/zinc/16/22/94/884162294.db2.gz WTSHJQAFAJGEOB-BCHFMIIMSA-N 0 0 391.920 3.961 10 0 GHAERN CC(C)c1c(NC(=O)Nc2cc(C(N)=O)ccc2F)cnn1-c1ccccc1 ZINC000192204840 884258477 /nfs/dbraw/zinc/25/84/77/884258477.db2.gz LUOVGOJEIUTDGC-UHFFFAOYSA-N 0 0 381.411 3.878 10 0 GHAERN CCO[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000192788799 884298235 /nfs/dbraw/zinc/29/82/35/884298235.db2.gz KVSKLAVJAKUBEO-OAQYLSRUSA-N 0 0 398.478 3.572 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nnc3ccccn32)C1)c1ccc(OC)cc1 ZINC000193241969 884333713 /nfs/dbraw/zinc/33/37/13/884333713.db2.gz RTVZUMAXVSFUED-MJGOQNOKSA-N 0 0 393.491 3.778 10 0 GHAERN COC(=O)c1ccc(NC(=O)c2ccc(C)nc2C)c(OCC(F)(F)F)c1 ZINC000102743721 884393058 /nfs/dbraw/zinc/39/30/58/884393058.db2.gz OSIFFAWYZKNKTD-UHFFFAOYSA-N 0 0 382.338 3.678 10 0 GHAERN CCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)n[nH]1 ZINC000102785107 884454492 /nfs/dbraw/zinc/45/44/92/884454492.db2.gz FOTWUNFMCSWXEF-UHFFFAOYSA-N 0 0 398.488 3.642 10 0 GHAERN NC(=O)[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccc(Br)cc1 ZINC000105401787 884753407 /nfs/dbraw/zinc/75/34/07/884753407.db2.gz ZWIHHGMJYKNJES-CVEARBPZSA-N 0 0 379.685 3.906 10 0 GHAERN C[C@H](C(=O)NC1CCC(C)CC1)[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685448 884829380 /nfs/dbraw/zinc/82/93/80/884829380.db2.gz YIJGRJDLWWRFOC-OAUYOLFTSA-N 0 0 392.496 3.813 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)CCCOCCc3ccccc3)n2)c1 ZINC000105689918 884830994 /nfs/dbraw/zinc/83/09/94/884830994.db2.gz CVYZNRHPYSZGJZ-HHHXNRCGSA-N 0 0 384.501 3.943 10 0 GHAERN CCN(CCCNC(=O)N[C@@H](C)c1cc(OC)ccc1OC)c1ccccc1 ZINC000105840314 884836440 /nfs/dbraw/zinc/83/64/40/884836440.db2.gz IYWAGVZIUTZAIA-KRWDZBQOSA-N 0 0 385.508 3.981 10 0 GHAERN COc1ccc([C@H](CC(=O)N[C@@H](c2ccccc2)C2CCC2)NC(C)=O)cc1 ZINC000104420241 885425817 /nfs/dbraw/zinc/42/58/17/885425817.db2.gz IBDAPMGTRKBGON-GMAHTHKFSA-N 0 0 380.488 3.920 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(I)cc1 ZINC000104456010 885452789 /nfs/dbraw/zinc/45/27/89/885452789.db2.gz HILYCUWARYRATL-UHFFFAOYSA-N 0 0 395.240 3.615 10 0 GHAERN COc1ccccc1CCN(C)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000104460165 885455435 /nfs/dbraw/zinc/45/54/35/885455435.db2.gz SGPPWGIRGDHUOX-UHFFFAOYSA-N 0 0 397.450 3.826 10 0 GHAERN C[C@H](CCc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014909821 885798835 /nfs/dbraw/zinc/79/88/35/885798835.db2.gz RUPUCAWUQRLCMB-QGZVFWFLSA-N 0 0 382.479 3.815 10 0 GHAERN COc1ccccc1C[C@@H](C)CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000107245694 886045363 /nfs/dbraw/zinc/04/53/63/886045363.db2.gz FRBBJCVKLBXLSB-VFNWGFHPSA-N 0 0 378.476 3.596 10 0 GHAERN O=C(CN1CCC[C@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000108362563 886072883 /nfs/dbraw/zinc/07/28/83/886072883.db2.gz UAOURYMABHKVFS-FUHWJXTLSA-N 0 0 398.557 3.685 10 0 GHAERN O=C(C1CC1)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 ZINC000109884087 886160735 /nfs/dbraw/zinc/16/07/35/886160735.db2.gz WHIMCYRNYSKWFZ-FUHWJXTLSA-N 0 0 397.544 3.999 10 0 GHAERN Cc1ccc(NC(=O)[C@H](C)N2CCCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000112351671 886259562 /nfs/dbraw/zinc/25/95/62/886259562.db2.gz RMPRWODBOKSRID-KRWDZBQOSA-N 0 0 385.533 3.540 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cccc(Oc3ccncc3)c2)c2ccccc2)[nH]1 ZINC000112634563 886266879 /nfs/dbraw/zinc/26/68/79/886266879.db2.gz QQUNWCPDZFNUKA-HXUWFJFHSA-N 0 0 385.427 3.820 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)n1 ZINC000113201313 886287152 /nfs/dbraw/zinc/28/71/52/886287152.db2.gz SMXIFANURJINGG-SFHVURJKSA-N 0 0 397.544 3.848 10 0 GHAERN CSCC[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 ZINC000031511896 886295879 /nfs/dbraw/zinc/29/58/79/886295879.db2.gz LVIOYYOLGIWNNG-KDOFPFPSSA-N 0 0 394.500 3.599 10 0 GHAERN Cc1csc(CNC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000113585468 886296247 /nfs/dbraw/zinc/29/62/47/886296247.db2.gz KHKBJBOCZQQVGY-INIZCTEOSA-N 0 0 381.505 3.931 10 0 GHAERN C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)o1 ZINC000032212127 886315374 /nfs/dbraw/zinc/31/53/74/886315374.db2.gz FATNAPMAIGCQJF-VYMYXMEBSA-N 0 0 376.460 3.865 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(C2CC2)no1 ZINC000114828866 886330207 /nfs/dbraw/zinc/33/02/07/886330207.db2.gz BWJWOBYFUHTYAZ-UONOGXRCSA-N 0 0 375.498 3.690 10 0 GHAERN CC(C)Oc1c(Cl)cccc1NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000118557015 886409416 /nfs/dbraw/zinc/40/94/16/886409416.db2.gz QHVGNBRIXQBNGP-UHFFFAOYSA-N 0 0 389.887 3.708 10 0 GHAERN O=C(Nc1cc(Br)ccc1F)N1CC[C@@H](Oc2cccnc2)C1 ZINC000118962326 886417289 /nfs/dbraw/zinc/41/72/89/886417289.db2.gz HAICIJIRGGQFKP-CYBMUJFWSA-N 0 0 380.217 3.668 10 0 GHAERN NC(=O)c1ccc(/C=C/C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1 ZINC000119091048 886423878 /nfs/dbraw/zinc/42/38/78/886423878.db2.gz VGNHFMZIENOMJS-VZOQVYJPSA-N 0 0 391.858 3.753 10 0 GHAERN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)NC1CCN(c2cccs2)CC1 ZINC000120783620 886531953 /nfs/dbraw/zinc/53/19/53/886531953.db2.gz ZZHUYKYAFPCEPI-RDTXWAMCSA-N 0 0 391.512 3.667 10 0 GHAERN C[C@@H]1C[C@@H](CNC(=O)N2CCOC[C@@H]2c2nc3ccccc3s2)C[C@H](C)O1 ZINC000332716563 886539307 /nfs/dbraw/zinc/53/93/07/886539307.db2.gz RRVWYXIKOJKJPQ-JYYAWHABSA-N 0 0 389.521 3.583 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1ccc(Br)cn1 ZINC000332947646 886562849 /nfs/dbraw/zinc/56/28/49/886562849.db2.gz SMOLZADBRUQGOJ-NEPJUHHUSA-N 0 0 395.326 3.951 10 0 GHAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000123851572 886680926 /nfs/dbraw/zinc/68/09/26/886680926.db2.gz VVCPWOHZDIFKEI-MSOLQXFVSA-N 0 0 380.444 3.527 10 0 GHAERN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc2cc(Cl)ccc2o1 ZINC000104930070 886787973 /nfs/dbraw/zinc/78/79/73/886787973.db2.gz DGJQOBQTMSOAOV-LBPRGKRZSA-N 0 0 381.762 3.534 10 0 GHAERN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)cc1C ZINC000042628284 886796695 /nfs/dbraw/zinc/79/66/95/886796695.db2.gz IXIPGTDHGPXRPB-LJQANCHMSA-N 0 0 385.552 3.745 10 0 GHAERN Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000043046069 886828052 /nfs/dbraw/zinc/82/80/52/886828052.db2.gz FJWSRVQCPROVLQ-UHFFFAOYSA-N 0 0 384.520 3.645 10 0 GHAERN COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1F ZINC000125233634 886841404 /nfs/dbraw/zinc/84/14/04/886841404.db2.gz ZHCVUJFCXVOFHU-RILDOFPPSA-N 0 0 380.423 3.648 10 0 GHAERN CCCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CC1 ZINC000043440099 886860843 /nfs/dbraw/zinc/86/08/43/886860843.db2.gz CNWDGTXPXGNOCT-UHFFFAOYSA-N 0 0 397.523 3.533 10 0 GHAERN O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000125791519 886900492 /nfs/dbraw/zinc/90/04/92/886900492.db2.gz IUYJLJQONZTVRP-RMKNXTFCSA-N 0 0 392.446 3.552 10 0 GHAERN CC[C@@H](C)n1ncc(C(=O)NC2CCN(c3ccc(C)cn3)CC2)c1C1CC1 ZINC000126268500 886951164 /nfs/dbraw/zinc/95/11/64/886951164.db2.gz GAUURPUNUCGXJM-MRXNPFEDSA-N 0 0 381.524 3.834 10 0 GHAERN C[C@@H](NC(=O)c1sccc1NC(=O)c1ccncc1)[C@@H]1COc2ccccc21 ZINC000126290463 886953356 /nfs/dbraw/zinc/95/33/56/886953356.db2.gz NZMXDGCDAGAYAG-CJNGLKHVSA-N 0 0 393.468 3.690 10 0 GHAERN CCCn1ccc2ccc(NC(=O)N3CCCC[C@H]([NH+]4CCN(C)CC4)C3)cc21 ZINC000126457799 886970043 /nfs/dbraw/zinc/97/00/43/886970043.db2.gz UKHNWOQCQRVUGX-NRFANRHFSA-N 0 0 397.567 3.685 10 0 GHAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000129218555 887272143 /nfs/dbraw/zinc/27/21/43/887272143.db2.gz ULXPNKCGDSBSMY-SJORKVTESA-N 0 0 383.448 3.671 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](c3ncc[nH]3)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000129254127 887275272 /nfs/dbraw/zinc/27/52/72/887275272.db2.gz GPKDJPJOVAIEMX-OFNKIYASSA-N 0 0 388.471 3.696 10 0 GHAERN COc1cccc(-c2nc(C)c(C(=O)N3CCC[C@H](c4nccs4)C3)[nH]2)c1 ZINC000129965347 887374941 /nfs/dbraw/zinc/37/49/41/887374941.db2.gz INYLHPGJHSQRPX-HNNXBMFYSA-N 0 0 382.489 3.870 10 0 GHAERN O=C(Nc1ccccc1CN1CCOCC1)N1CC=C(c2ccccc2)CC1 ZINC000048146954 887413149 /nfs/dbraw/zinc/41/31/49/887413149.db2.gz RYWCRKXJRNFUGL-UHFFFAOYSA-N 0 0 377.488 3.840 10 0 GHAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000048458544 887454835 /nfs/dbraw/zinc/45/48/35/887454835.db2.gz JMDJAVRWFJWHBB-MRXNPFEDSA-N 0 0 379.464 3.928 10 0 GHAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000131364454 887537558 /nfs/dbraw/zinc/53/75/58/887537558.db2.gz AEFCMZWXDCMYMD-UHFFFAOYSA-N 0 0 398.532 3.739 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000132055511 887603230 /nfs/dbraw/zinc/60/32/30/887603230.db2.gz AVUWEJPUNSVAGE-INIZCTEOSA-N 0 0 386.475 3.797 10 0 GHAERN O=C(NC[C@H](c1ccccc1)N1CCOCC1)N(Cc1ccco1)C1CCCC1 ZINC000105135696 887678319 /nfs/dbraw/zinc/67/83/19/887678319.db2.gz OJHNFYSKHXSXRE-JOCHJYFZSA-N 0 0 397.519 3.807 10 0 GHAERN CCCN(C(=O)c1cccs1)C1CCN(C(=O)N[C@H](C)CC2CC2)CC1 ZINC000133403784 887762360 /nfs/dbraw/zinc/76/23/60/887762360.db2.gz GTGLARNVOTZKHU-OAHLLOKOSA-N 0 0 377.554 3.963 10 0 GHAERN Cc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1C(=O)N(C)C ZINC000134161265 887839934 /nfs/dbraw/zinc/83/99/34/887839934.db2.gz PLGDMDHGNZISQM-UHFFFAOYSA-N 0 0 386.521 3.549 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000134341043 887860881 /nfs/dbraw/zinc/86/08/81/887860881.db2.gz VAIDXOCXCOXJGG-UTKZUKDTSA-N 0 0 391.471 3.798 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@H]([C@H](O)c4nccn4C)C3)c(C)c2c1 ZINC000134345260 887862838 /nfs/dbraw/zinc/86/28/38/887862838.db2.gz GXDCTMISHCFXQM-KSSFIOAISA-N 0 0 399.516 3.538 10 0 GHAERN CC(=O)c1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1C ZINC000134643490 887894585 /nfs/dbraw/zinc/89/45/85/887894585.db2.gz VOTXNNJOHLWLCG-LJQANCHMSA-N 0 0 396.491 3.620 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)C(=O)Nc1ccc2ncccc2c1 ZINC000134644078 887894622 /nfs/dbraw/zinc/89/46/22/887894622.db2.gz ZHGGQAMBPATSBF-IBGZPJMESA-N 0 0 391.475 3.657 10 0 GHAERN Cc1ccc(SCCNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000053985635 888256699 /nfs/dbraw/zinc/25/66/99/888256699.db2.gz DWVGCNJZTJIWOE-QGZVFWFLSA-N 0 0 395.532 3.719 10 0 GHAERN O=C(N[C@@H](c1ccccc1)C1CC1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000054024367 888261507 /nfs/dbraw/zinc/26/15/07/888261507.db2.gz SAJROXGXUIQSTJ-ICSRJNTNSA-N 0 0 375.476 3.770 10 0 GHAERN O=C(C1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1)N1CCCCCC1 ZINC000055049644 888299291 /nfs/dbraw/zinc/29/92/91/888299291.db2.gz GCFXZMKEISJSQS-YADHBBJMSA-N 0 0 398.547 3.796 10 0 GHAERN C[C@@]1(C(=O)N2CCCN(C(=O)c3ccccc3Cl)CC2)CC1(Cl)Cl ZINC000055526207 888322078 /nfs/dbraw/zinc/32/20/78/888322078.db2.gz TXTPCRZNAHTHKE-INIZCTEOSA-N 0 0 389.710 3.598 10 0 GHAERN Cc1cc(N2CCSCC2)ccc1NC(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137272149 888345010 /nfs/dbraw/zinc/34/50/10/888345010.db2.gz PCNYQTYKVSQFOL-LJQANCHMSA-N 0 0 398.532 3.628 10 0 GHAERN CC(C)Oc1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000056442289 888362290 /nfs/dbraw/zinc/36/22/90/888362290.db2.gz CFNWMFMEUDFHEO-VSRDTVRMSA-N 0 0 385.485 3.522 10 0 GHAERN CCOc1cc(NC(=O)N2CCCN(c3nc(C)cs3)CC2)ccc1OC ZINC000056662834 888372796 /nfs/dbraw/zinc/37/27/96/888372796.db2.gz DXSCBRXWBRYDFA-UHFFFAOYSA-N 0 0 390.509 3.603 10 0 GHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)NC1CCN(c2ncccn2)CC1 ZINC000056844998 888381078 /nfs/dbraw/zinc/38/10/78/888381078.db2.gz GLWPEKYTAXVMLC-HNNXBMFYSA-N 0 0 379.464 3.560 10 0 GHAERN O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000194659339 888604250 /nfs/dbraw/zinc/60/42/50/888604250.db2.gz LLELYJIDPKOTCB-CVEARBPZSA-N 0 0 386.377 3.706 10 0 GHAERN CCn1ncc2ccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)cc21 ZINC000194675618 888606031 /nfs/dbraw/zinc/60/60/31/888606031.db2.gz FDTVYBXGWYSCQX-UHFFFAOYSA-N 0 0 382.489 3.609 10 0 GHAERN C[C@H](c1cccnc1)N(C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533422 888853525 /nfs/dbraw/zinc/85/35/25/888853525.db2.gz IRIQPXVROUQVCF-XLIONFOSSA-N 0 0 395.503 3.599 10 0 GHAERN CN(C[C@@H]1CCCC[C@H]1O)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000245547773 888901749 /nfs/dbraw/zinc/90/17/49/888901749.db2.gz NBFDCULCZSKNIH-BWAGFHJFSA-N 0 0 393.483 3.764 10 0 GHAERN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245724905 889469998 /nfs/dbraw/zinc/46/99/98/889469998.db2.gz ABBPAISSQVSMGB-CSMYWGQOSA-N 0 0 386.473 3.589 10 0 GHAERN O=C(Nc1ccc(OCC2CCOCC2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245724973 889470434 /nfs/dbraw/zinc/47/04/34/889470434.db2.gz ABHLYWYAIRQMKD-VAMGGRTRSA-N 0 0 386.492 3.571 10 0 GHAERN Cc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c1 ZINC000065573590 889530157 /nfs/dbraw/zinc/53/01/57/889530157.db2.gz MMMRXJRIIYTDIA-UHFFFAOYSA-N 0 0 382.479 3.654 10 0 GHAERN C[C@H](NC(=O)N1CCC(c2ccnn2C)CC1)c1nc(C2CCCCC2)no1 ZINC000173611917 890107342 /nfs/dbraw/zinc/10/73/42/890107342.db2.gz WBLSPBUXLJWBQW-AWEZNQCLSA-N 0 0 386.500 3.501 10 0 GHAERN CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246100738 890370124 /nfs/dbraw/zinc/37/01/24/890370124.db2.gz MXZNDQBCMOGTNH-GDIGMMSISA-N 0 0 385.464 3.597 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246146180 890475389 /nfs/dbraw/zinc/47/53/89/890475389.db2.gz SMRLYQJOPVQJCN-HNONPPJISA-N 0 0 382.863 3.520 10 0 GHAERN CC(C)(C)C(=O)N1CCCN(C(=O)CCCOc2ccccc2Cl)CC1 ZINC000066727844 891128905 /nfs/dbraw/zinc/12/89/05/891128905.db2.gz XPUSWVYSIWKXBQ-UHFFFAOYSA-N 0 0 380.916 3.606 10 0 GHAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067048360 891140599 /nfs/dbraw/zinc/14/05/99/891140599.db2.gz ZKVBOMJPBPJSHQ-AEFFLSMTSA-N 0 0 386.517 3.838 10 0 GHAERN O=C(Nc1ccsc1C(=O)N1CCC[C@@H](c2nccs2)C1)c1ccncc1 ZINC000067048486 891140799 /nfs/dbraw/zinc/14/07/99/891140799.db2.gz GQLGBURIAPNEGE-CQSZACIVSA-N 0 0 398.513 3.872 10 0 GHAERN O=C(c1cc(Br)cnc1Cl)N1CCC[C@@H](c2nccs2)C1 ZINC000067048645 891141001 /nfs/dbraw/zinc/14/10/01/891141001.db2.gz UCMNQBKVPCHJBS-SECBINFHSA-N 0 0 386.702 3.974 10 0 GHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1)c1ccncc1 ZINC000067589998 891157963 /nfs/dbraw/zinc/15/79/63/891157963.db2.gz AKZSZQLMAAHYTJ-CXAGYDPISA-N 0 0 390.281 3.688 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1cccc(N2CCOC2=O)c1 ZINC000067635054 891159691 /nfs/dbraw/zinc/15/96/91/891159691.db2.gz INIIVPIBESGABJ-LPHOPBHVSA-N 0 0 394.475 3.600 10 0 GHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000068275898 891173959 /nfs/dbraw/zinc/17/39/59/891173959.db2.gz CMGMYUUMGWSWSC-WBVHZDCISA-N 0 0 378.428 3.814 10 0 GHAERN O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000246527219 891282756 /nfs/dbraw/zinc/28/27/56/891282756.db2.gz PAYDFDXBEVWTEK-IHPCNDPISA-N 0 0 399.560 3.872 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000246537414 891284493 /nfs/dbraw/zinc/28/44/93/891284493.db2.gz JOIGSLBKGAOVRT-BQFCYCMXSA-N 0 0 388.508 3.705 10 0 GHAERN Cc1c(C(=O)N2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)cccc1N1CCNC1=O ZINC000246711097 891300132 /nfs/dbraw/zinc/30/01/32/891300132.db2.gz KRRHMVQMCKEXPE-QLVMHMETSA-N 0 0 393.487 3.515 10 0 GHAERN COC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccco1 ZINC000246727175 891301947 /nfs/dbraw/zinc/30/19/47/891301947.db2.gz GLHFFTBVKNOOGG-NPYXIHBLSA-N 0 0 392.496 3.652 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)N[C@H]3CCOc4ccc(F)cc43)cc2)CCO1 ZINC000246736343 891303325 /nfs/dbraw/zinc/30/33/25/891303325.db2.gz NSBJVGAUAOXBON-LIRRHRJNSA-N 0 0 385.439 3.696 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000247343096 891369238 /nfs/dbraw/zinc/36/92/38/891369238.db2.gz YTSMTRAFAQLYSU-KBAYOESNSA-N 0 0 387.911 3.745 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247402245 891374819 /nfs/dbraw/zinc/37/48/19/891374819.db2.gz MDQLPUGPMNUHCC-USXIJHARSA-N 0 0 376.403 3.626 10 0 GHAERN Cc1cc(NC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)ccc1NC(=O)c1ccco1 ZINC000247679120 891391468 /nfs/dbraw/zinc/39/14/68/891391468.db2.gz ZLIVDHHVPYZHNK-CGTJXYLNSA-N 0 0 383.448 3.919 10 0 GHAERN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247675263 891391915 /nfs/dbraw/zinc/39/19/15/891391915.db2.gz ZAFKOYMQNVYXGP-DFQSSKMNSA-N 0 0 385.508 3.747 10 0 GHAERN COc1ccc([C@@H](C)N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000248086513 891409177 /nfs/dbraw/zinc/40/91/77/891409177.db2.gz DRHMMQJNSOEIIO-MRXNPFEDSA-N 0 0 398.478 3.906 10 0 GHAERN C[S@](=O)Cc1ccccc1NC(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000248403209 891432682 /nfs/dbraw/zinc/43/26/82/891432682.db2.gz XMDDRQWNVULFQC-PXJNRBPISA-N 0 0 392.546 3.747 10 0 GHAERN O=C(NC[C@H](O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000248607007 891444771 /nfs/dbraw/zinc/44/47/71/891444771.db2.gz DAGWSCSIADCIJT-FDFHNCONSA-N 0 0 380.488 3.644 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H]2OCCC[C@H]2C1 ZINC000249448129 891507941 /nfs/dbraw/zinc/50/79/41/891507941.db2.gz NXBDVVAZHUOIFH-PSOPSSQASA-N 0 0 378.341 3.779 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cc(NC(C)=O)ccc3C)C2)c1 ZINC000102530243 898012394 /nfs/dbraw/zinc/01/23/94/898012394.db2.gz XUUMEOFFLDGKKT-QGZVFWFLSA-N 0 0 396.491 3.610 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)NCCc2c[nH]c3cccc(C)c23)c1 ZINC000103237166 898075299 /nfs/dbraw/zinc/07/52/99/898075299.db2.gz VSKAEICXHLFIPB-HNNXBMFYSA-N 0 0 394.475 3.814 10 0 GHAERN O=C(NC[C@H]1CCCCN1C(=O)CCc1ccccc1O)Nc1ccccc1 ZINC000103249014 898076768 /nfs/dbraw/zinc/07/67/68/898076768.db2.gz WAQCQTFUFNNIMX-LJQANCHMSA-N 0 0 381.476 3.528 10 0 GHAERN C[C@@H](NC(=O)NCc1nc(C(C)(C)C)cs1)c1ccc(-n2cncn2)cc1 ZINC000104777532 898162365 /nfs/dbraw/zinc/16/23/65/898162365.db2.gz OUIOYBUAXLITKW-CYBMUJFWSA-N 0 0 384.509 3.582 10 0 GHAERN COc1cccc(-c2nc(CN3CCCC[C@@H]3c3nc[nH]n3)cs2)c1OC ZINC000121666348 901652858 /nfs/dbraw/zinc/65/28/58/901652858.db2.gz TUTBLXJVZOGOSP-OAHLLOKOSA-N 0 0 385.493 3.673 10 0 GHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000333513434 902150146 /nfs/dbraw/zinc/15/01/46/902150146.db2.gz FOXBEPVUMAIYKR-NVXWUHKLSA-N 0 0 381.480 3.538 10 0 GHAERN Cc1cc(N2CCC(NC(=O)N[C@@H]3c4ccccc4CCC3(C)C)CC2)n[nH]1 ZINC000333522501 902158656 /nfs/dbraw/zinc/15/86/56/902158656.db2.gz ZNYGRQBYAJJLMG-HXUWFJFHSA-N 0 0 381.524 3.700 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333600609 902215786 /nfs/dbraw/zinc/21/57/86/902215786.db2.gz BYAUJOGOPMUTQY-RRFJBIMHSA-N 0 0 379.298 3.563 10 0 GHAERN C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176074282 905746949 /nfs/dbraw/zinc/74/69/49/905746949.db2.gz LVOIKMCYGVSGSB-UONOGXRCSA-N 0 0 390.480 3.619 10 0 GHAERN C[C@@H](CC(=O)N1CCCC[C@@H]1c1nc[nH]n1)c1ccc(Br)cc1 ZINC000181384705 906987941 /nfs/dbraw/zinc/98/79/41/906987941.db2.gz BDGATQDRXZHYRQ-SWLSCSKDSA-N 0 0 377.286 3.815 10 0 GHAERN O=C(N[C@H]1CCCOc2ccccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000182579120 907233046 /nfs/dbraw/zinc/23/30/46/907233046.db2.gz PZOFOABHACEYFQ-ROUUACIJSA-N 0 0 395.507 3.765 10 0 GHAERN Cc1cc(C)n(-c2ccc(CNC(=O)N3CCC[C@H]3c3csc(C)n3)cn2)n1 ZINC000186225242 907892108 /nfs/dbraw/zinc/89/21/08/907892108.db2.gz MQXNMHHQSSAPOW-SFHVURJKSA-N 0 0 396.520 3.696 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000186991018 908015241 /nfs/dbraw/zinc/01/52/41/908015241.db2.gz HJIYYLCJHPFEMC-CYBMUJFWSA-N 0 0 388.378 3.713 10 0 GHAERN CCC(=O)c1ccc(OCCCCC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000187839501 908146112 /nfs/dbraw/zinc/14/61/12/908146112.db2.gz HWCJBRWZLWRWEL-GOSISDBHSA-N 0 0 384.480 3.700 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(CN3CCCC3=O)cc2)cs1 ZINC000188601188 908230333 /nfs/dbraw/zinc/23/03/33/908230333.db2.gz SMRDQTUUGVSYJV-SFHVURJKSA-N 0 0 384.505 3.943 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CCSc2ccccc2Cl)C1 ZINC000189081274 908280228 /nfs/dbraw/zinc/28/02/28/908280228.db2.gz QVYOKECGUYQEHC-GXTWGEPZSA-N 0 0 381.885 3.502 10 0 GHAERN COc1ccc2sc(C(=O)N3C[C@@H](OC)C[C@@H]3c3nc(C)no3)c(C)c2c1 ZINC000189082448 908280422 /nfs/dbraw/zinc/28/04/22/908280422.db2.gz XJAFMPVHPNBJII-DZGCQCFKSA-N 0 0 387.461 3.512 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Cc2csc3ccc(Cl)cc23)C1 ZINC000190013262 908402591 /nfs/dbraw/zinc/40/25/91/908402591.db2.gz VAGVQGFGZVTCFU-UKRRQHHQSA-N 0 0 391.880 3.777 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C/c2cccc(OC3CCCC3)c2)C1 ZINC000190021668 908405243 /nfs/dbraw/zinc/40/52/43/908405243.db2.gz CQYMFOXGXTUODN-ANMDKAQQSA-N 0 0 397.475 3.701 10 0 GHAERN CCCOc1ccc(NC(=O)N2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1Cl ZINC000190121904 908430938 /nfs/dbraw/zinc/43/09/38/908430938.db2.gz RBYZHJQMQMDYMS-UKRRQHHQSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000190126469 908432788 /nfs/dbraw/zinc/43/27/88/908432788.db2.gz CIIOKEXKMUMNQE-MFKMUULPSA-N 0 0 388.321 3.530 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000190613398 908508735 /nfs/dbraw/zinc/50/87/35/908508735.db2.gz LQNDAADCHUMGKF-LLVKDONJSA-N 0 0 386.200 3.605 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCOc4c(Cl)cccc43)CCO2)n1 ZINC000194245194 908928323 /nfs/dbraw/zinc/92/83/23/908928323.db2.gz ZVTAFEFUSGBEMO-LSDHHAIUSA-N 0 0 393.896 3.712 10 0 GHAERN C[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1Cl)c1cnc2ccccc2c1 ZINC000103805993 911067345 /nfs/dbraw/zinc/06/73/45/911067345.db2.gz ATTXBFMSULGDFP-GFCCVEGCSA-N 0 0 379.807 3.782 10 0 GHAERN Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1coc(Br)c1)CCCC2 ZINC000284673321 911981456 /nfs/dbraw/zinc/98/14/56/911981456.db2.gz RBYMPQZUXTWNAC-AWEZNQCLSA-N 0 0 378.270 3.632 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@H](C)C2CCCCC2)c2ccc(F)cc2C1 ZINC000184025771 1014570403 /nfs/dbraw/zinc/57/04/03/1014570403.db2.gz CLWVSSGMKRBIOC-VLIAUNLRSA-N 0 0 375.488 3.887 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2scnc2C(C)(C)C)c2ccc(F)cc2C1 ZINC000185529473 1014585123 /nfs/dbraw/zinc/58/51/23/1014585123.db2.gz GRXPWIQOBBRAFZ-INIZCTEOSA-N 0 0 389.496 3.803 10 0 GHAERN Nc1c(C(=O)Nc2ccccc2)noc1C(=O)c1ccc(Br)cc1 ZINC000090549313 212150816 /nfs/dbraw/zinc/15/08/16/212150816.db2.gz JQBJJDRRYAORQK-UHFFFAOYSA-N 0 0 386.205 3.503 10 0 GHAERN CC(C)NC(=O)C[C@@H]1C(=O)N(Cc2ccccc2)[C@H](C)c2nc3ccccc3n21 ZINC000004908929 220787583 /nfs/dbraw/zinc/78/75/83/220787583.db2.gz PFEBCWHNJZGVRH-OXQOHEQNSA-N 0 0 390.487 3.596 10 0 GHAERN COCC(=O)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C1CCCCC1 ZINC000006722767 220953090 /nfs/dbraw/zinc/95/30/90/220953090.db2.gz UINQTWGPHRLMFY-UHFFFAOYSA-N 0 0 389.540 3.655 10 0 GHAERN Cc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)[C@H]2CCCO2)CC3)cc1 ZINC000012580424 221209793 /nfs/dbraw/zinc/20/97/93/221209793.db2.gz UJGLJZZEYFIKMW-JOCHJYFZSA-N 0 0 392.499 3.630 10 0 GHAERN COc1ccc(CC(=O)N2CC[C@H]3CC(=O)N(c4ccccc4)CC[C@H]3C2)cc1 ZINC000015672947 221338764 /nfs/dbraw/zinc/33/87/64/221338764.db2.gz DUXNQSVHJOPGJW-PMACEKPBSA-N 0 0 392.499 3.529 10 0 GHAERN CSc1ncccc1C(=O)Nc1ccc2c(c1)ncnc2N1CCCCC1 ZINC000065134967 136159515 /nfs/dbraw/zinc/15/95/15/136159515.db2.gz RSSGXWYNDUKOCK-UHFFFAOYSA-N 0 0 379.489 3.989 10 0 GHAERN COc1cccc(-c2cc(-c3ccc(C(=O)N4CCSCC4)cc3)n[nH]2)c1 ZINC000023305177 221590726 /nfs/dbraw/zinc/59/07/26/221590726.db2.gz NPKBCHKAOIDFKG-UHFFFAOYSA-N 0 0 379.485 3.941 10 0 GHAERN CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC ZINC000025968445 221635419 /nfs/dbraw/zinc/63/54/19/221635419.db2.gz CIBHDGPIOICRGX-UHCQKNSKSA-N 0 0 380.525 3.730 10 0 in-man GHAERN C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)n2c3ccccc3nc2s1 ZINC000033008804 221764580 /nfs/dbraw/zinc/76/45/80/221764580.db2.gz RSFVUUWPJFDENW-AWEZNQCLSA-N 0 0 377.469 3.660 10 0 GHAERN C=Cc1ccc(Cn2nc3n(c2=O)c2ccccc2c(=O)n3CCC(C)C)cc1 ZINC000035480044 221825600 /nfs/dbraw/zinc/82/56/00/221825600.db2.gz TXKUXERCYGEDQL-UHFFFAOYSA-N 0 0 388.471 3.548 10 0 GHAERN Cc1cc2n(n1)c1ccccc1c(=O)n2C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000051288960 222005213 /nfs/dbraw/zinc/00/52/13/222005213.db2.gz GRKMAALZAZNUIN-QGZVFWFLSA-N 0 0 388.254 3.998 10 0 GHAERN CC1CCN(C(=O)c2ccc(OC[C@H]3CCCN(C(=O)C4CCC4)C3)cc2)CC1 ZINC000065178949 222106997 /nfs/dbraw/zinc/10/69/97/222106997.db2.gz SCVMBCAHXIFQPT-IBGZPJMESA-N 0 0 398.547 3.976 10 0 GHAERN Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3ccccc3)CC23CCCCC3)o1 ZINC000065266065 222119031 /nfs/dbraw/zinc/11/90/31/222119031.db2.gz BIVWQJPGARGYTK-FQEVSTJZSA-N 0 0 380.488 3.927 10 0 GHAERN CCC(CC)C(=O)N1C[C@@H](c2nc(-c3ccccc3)no2)C2(C1)CCOCC2 ZINC000085824352 222325681 /nfs/dbraw/zinc/32/56/81/222325681.db2.gz WLYVEIFVQSQAPH-SFHVURJKSA-N 0 0 383.492 3.895 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075343 222328991 /nfs/dbraw/zinc/32/89/91/222328991.db2.gz CLXJBNSMJKKWJR-GFCCVEGCSA-N 0 0 375.300 3.615 10 0 GHAERN CC(=O)c1nc2cccnc2n1C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000095082735 222329721 /nfs/dbraw/zinc/32/97/21/222329721.db2.gz RVUKZULRYCORMB-UHFFFAOYSA-N 0 0 378.432 3.608 10 0 GHAERN CCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2F)C[C@@H](c2cccc(C)c2)C1 ZINC000034710920 570303175 /nfs/dbraw/zinc/30/31/75/570303175.db2.gz OYOVIYDQFYWGBQ-UXHICEINSA-N 0 0 397.494 3.586 10 0 GHAERN COc1cc2c(cc1OC)[C@@H](CNC(=O)NC(C)C)N(Cc1ccccc1)CC2 ZINC000034857327 570341914 /nfs/dbraw/zinc/34/19/14/570341914.db2.gz PCEPVISICGJNMA-HXUWFJFHSA-N 0 0 397.519 3.511 10 0 GHAERN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OC)c(OC)c2)S1 ZINC000006870621 570409868 /nfs/dbraw/zinc/40/98/68/570409868.db2.gz BPXLKGWSFLCHQJ-PDGQHHTCSA-N 0 0 384.457 3.994 10 0 GHAERN CCC(=O)NCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000536953701 570470231 /nfs/dbraw/zinc/47/02/31/570470231.db2.gz IYPUAECGGINFKT-UHFFFAOYSA-N 0 0 397.482 3.540 10 0 GHAERN O=C(Nc1cc(F)ccc1F)c1ccc(-n2nnc3cccnc32)cc1Cl ZINC000064896496 570584043 /nfs/dbraw/zinc/58/40/43/570584043.db2.gz VQNIGNULZVXGIP-UHFFFAOYSA-N 0 0 385.761 3.999 10 0 GHAERN CSc1ccc(/C=c2\sc3nc(-c4ccccc4Cl)nn3c2=O)cc1 ZINC000048513166 570659219 /nfs/dbraw/zinc/65/92/19/570659219.db2.gz CEOZONROIHGVCV-GDNBJRDFSA-N 0 0 385.901 3.741 10 0 GHAERN Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000242302238 570688955 /nfs/dbraw/zinc/68/89/55/570688955.db2.gz YQRHUZZQNOIGPB-UHFFFAOYSA-N 0 0 387.505 3.538 10 0 GHAERN CC(C)(C)OC(=O)N1C(=O)CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC000498051064 570909116 /nfs/dbraw/zinc/90/91/16/570909116.db2.gz GNGIBMWWCYZLQY-UHFFFAOYSA-N 0 0 388.464 3.715 10 0 GHAERN COc1cc2nc(-c3csc(COc4ccccc4)n3)[nH]c(=O)c2cc1OC ZINC000083925414 570980515 /nfs/dbraw/zinc/98/05/15/570980515.db2.gz YUQWGKVWBKYBQQ-UHFFFAOYSA-N 0 0 395.440 3.643 10 0 GHAERN O=C(NCc1nc2ccccc2s1)C1CCN(C(=O)c2cccs2)CC1 ZINC000104878065 837481824 /nfs/dbraw/zinc/48/18/24/837481824.db2.gz BZCORPMCHFSXOL-UHFFFAOYSA-N 0 0 385.514 3.526 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@]2(CC=CCC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176078019 837489979 /nfs/dbraw/zinc/48/99/79/837489979.db2.gz GNMKYTOVSSEMNC-MGPUTAFESA-N 0 0 394.512 3.822 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@H](c1ccco1)c1ccccc1 ZINC000105014687 837499356 /nfs/dbraw/zinc/49/93/56/837499356.db2.gz ZWRKEAVKOOJLDY-HNNXBMFYSA-N 0 0 377.322 3.898 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000156511369 834420469 /nfs/dbraw/zinc/42/04/69/834420469.db2.gz CQABPLGVXQKQQN-UHFFFAOYSA-N 0 0 381.524 3.897 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)c(Br)c1 ZINC000156518496 834422242 /nfs/dbraw/zinc/42/22/42/834422242.db2.gz QVRNCMXZWHQPMZ-UHFFFAOYSA-N 0 0 391.313 3.978 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2cnn(-c3ccccc3)c2C)c2ccccc2)[nH]1 ZINC000156715593 834524481 /nfs/dbraw/zinc/52/44/81/834524481.db2.gz MDPNWVJPXHQWCY-LJQANCHMSA-N 0 0 387.447 3.518 10 0 GHAERN CCc1nc(C)cc(N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 ZINC000329216727 834562392 /nfs/dbraw/zinc/56/23/92/834562392.db2.gz OZMYCOVLWRXFLJ-LJQANCHMSA-N 0 0 395.482 3.867 10 0 GHAERN NC(=O)c1ccc(-c2nc(CN3CCC[C@@H](c4nccs4)C3)cs2)cc1 ZINC000157022703 834700992 /nfs/dbraw/zinc/70/09/92/834700992.db2.gz LIVIHWANBGOHKP-OAHLLOKOSA-N 0 0 384.530 3.745 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@H]3CCOC4(CCCC4)C3)C2)c1 ZINC000157180518 834788676 /nfs/dbraw/zinc/78/86/76/834788676.db2.gz TYHCVEAFXLXQIV-AEFFLSMTSA-N 0 0 388.508 3.695 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 ZINC000157243604 834826636 /nfs/dbraw/zinc/82/66/36/834826636.db2.gz BUPQOHJUADPAAV-UHFFFAOYSA-N 0 0 398.898 3.746 10 0 GHAERN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccccc1Br ZINC000049080521 834980129 /nfs/dbraw/zinc/98/01/29/834980129.db2.gz ZIBVPHUCWKQFCG-DOMZBBRYSA-N 0 0 391.265 3.524 10 0 GHAERN CC/C(=C/C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc(OC)cc1 ZINC000588584025 835111205 /nfs/dbraw/zinc/11/12/05/835111205.db2.gz KWGDPDUXBPRLKE-RUDRXDDOSA-N 0 0 396.462 3.545 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)ccc1F ZINC000157873333 835132838 /nfs/dbraw/zinc/13/28/38/835132838.db2.gz AFHRJFYWSFPQFF-KAMXEHQASA-N 0 0 384.455 3.529 10 0 GHAERN COc1ccc(OC(C)C)c(NC(=O)N2CCC(Cc3nccn3C)CC2)c1 ZINC000157921419 835157252 /nfs/dbraw/zinc/15/72/52/835157252.db2.gz QETXZMLAEKXEFS-UHFFFAOYSA-N 0 0 386.496 3.703 10 0 GHAERN Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)[nH]n1 ZINC000158215420 835276966 /nfs/dbraw/zinc/27/69/66/835276966.db2.gz DXKZLVFPTQSDBI-YJBOKZPZSA-N 0 0 392.507 3.628 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)c1c(Cl)nc2ccccn21 ZINC000101531852 835318172 /nfs/dbraw/zinc/31/81/72/835318172.db2.gz DJRBUAYQKWCVDJ-UHFFFAOYSA-N 0 0 384.798 3.754 10 0 GHAERN CCc1nc(NC(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)sc1C ZINC000187391910 835347079 /nfs/dbraw/zinc/34/70/79/835347079.db2.gz DGMOTJXGZIROKQ-UHFFFAOYSA-N 0 0 388.541 3.590 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)[nH]c2c1C(=O)CCC2 ZINC000329613103 835381782 /nfs/dbraw/zinc/38/17/82/835381782.db2.gz DUBAMAJCHCJLNO-NSHDSACASA-N 0 0 394.397 3.604 10 0 GHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cn1 ZINC000158588194 835449163 /nfs/dbraw/zinc/44/91/63/835449163.db2.gz DLMWADQLIWEYQX-KRWDZBQOSA-N 0 0 384.871 3.687 10 0 GHAERN CC(=O)N1CCC(CCC(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)CC1 ZINC000329632600 835476475 /nfs/dbraw/zinc/47/64/75/835476475.db2.gz RXZQNEAXANKPNF-GOSISDBHSA-N 0 0 377.554 3.505 10 0 GHAERN CCCCNC(=O)c1ccc2c(=O)[nH]c3c(-c4ccc(Cl)cc4)nnn3c2c1 ZINC000021867324 836161397 /nfs/dbraw/zinc/16/13/97/836161397.db2.gz FNFTUAKCBTVADV-UHFFFAOYSA-N 0 0 395.850 3.833 10 0 GHAERN CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 ZINC000021867578 836161801 /nfs/dbraw/zinc/16/18/01/836161801.db2.gz BSDDWJWXMRRCOE-UHFFFAOYSA-N 0 0 375.432 3.570 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000332723365 836499684 /nfs/dbraw/zinc/49/96/84/836499684.db2.gz OUNYCVHNAKUBOX-SFTDATJTSA-N 0 0 389.499 3.545 10 0 GHAERN C[C@H](NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000332751025 836537198 /nfs/dbraw/zinc/53/71/98/836537198.db2.gz AMFCMHJQNSKAEK-MTNREXPMSA-N 0 0 395.503 3.654 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102646821 837196657 /nfs/dbraw/zinc/19/66/57/837196657.db2.gz ANSBFKDMRIOJCR-CYBMUJFWSA-N 0 0 391.924 3.629 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H](C)NC(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000102646825 837196833 /nfs/dbraw/zinc/19/68/33/837196833.db2.gz ANSBFKDMRIOJCR-ZDUSSCGKSA-N 0 0 391.924 3.629 10 0 GHAERN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102915325 837235828 /nfs/dbraw/zinc/23/58/28/837235828.db2.gz FDBMCGIQGPGYLZ-HNNXBMFYSA-N 0 0 377.391 3.530 10 0 GHAERN O=S(=O)(Cc1noc(-c2ccsc2)n1)Cc1ncc(-c2ccccc2)o1 ZINC000102948613 837247335 /nfs/dbraw/zinc/24/73/35/837247335.db2.gz HCTMXQSHHROQCK-UHFFFAOYSA-N 0 0 387.442 3.568 10 0 GHAERN Cc1nc(CN2CCCN(C(=O)Nc3c[nH]nc3-c3ccccc3)CC2)cs1 ZINC000179494821 838373122 /nfs/dbraw/zinc/37/31/22/838373122.db2.gz QQSVQDPHRRXFIB-UHFFFAOYSA-N 0 0 396.520 3.581 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cccc(Br)c2Cl)[nH]1 ZINC000407980665 838377687 /nfs/dbraw/zinc/37/76/87/838377687.db2.gz NLAFKCUWCYFIPJ-GFCCVEGCSA-N 0 0 383.677 3.896 10 0 GHAERN COC[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc(F)c(F)c1 ZINC000179948341 838477296 /nfs/dbraw/zinc/47/72/96/838477296.db2.gz PDHWMIXXQCBBBJ-CZUORRHYSA-N 0 0 381.448 3.698 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc21 ZINC000179187379 838529698 /nfs/dbraw/zinc/52/96/98/838529698.db2.gz VTKVTRBBTSLCQS-CRAIPNDOSA-N 0 0 383.517 3.854 10 0 GHAERN CC(C)c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000183191379 838913156 /nfs/dbraw/zinc/91/31/56/838913156.db2.gz MTWICUBRINSVCF-GOSISDBHSA-N 0 0 388.537 3.654 10 0 GHAERN Cc1nc([C@@H](C)N2CCC(N(C)C(=O)c3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000377656561 839908513 /nfs/dbraw/zinc/90/85/13/839908513.db2.gz WIQMCQYCKLWTBB-GFCCVEGCSA-N 0 0 396.413 3.694 10 0 GHAERN Cc1sc(-c2ccco2)nc1C(=O)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000109502300 840363414 /nfs/dbraw/zinc/36/34/14/840363414.db2.gz XLBGNXLNETZWHK-UHFFFAOYSA-N 0 0 378.413 3.714 10 0 GHAERN C[C@H](CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000109968761 840591340 /nfs/dbraw/zinc/59/13/40/840591340.db2.gz OVAKZIDIIYFXRB-QGZVFWFLSA-N 0 0 382.479 3.988 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110622473 840601684 /nfs/dbraw/zinc/60/16/84/840601684.db2.gz CJZNOCLAUMCROC-LSDHHAIUSA-N 0 0 387.270 3.994 10 0 GHAERN CC(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC12CCCCC2 ZINC000332772875 844561322 /nfs/dbraw/zinc/56/13/22/844561322.db2.gz GCVZUEODOSEUBQ-CVEARBPZSA-N 0 0 389.462 3.684 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cccc(SC(F)F)c2)C1 ZINC000189424028 841200753 /nfs/dbraw/zinc/20/07/53/841200753.db2.gz RZESFWNMQCTBJZ-WCQYABFASA-N 0 0 384.408 3.687 10 0 GHAERN O=C(CCNC(=O)Cc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000105440936 841267869 /nfs/dbraw/zinc/26/78/69/841267869.db2.gz NXEHEXQIFBAYAN-UHFFFAOYSA-N 0 0 383.448 3.637 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCCO2)C1 ZINC000328785458 841393640 /nfs/dbraw/zinc/39/36/40/841393640.db2.gz WEZZROAXCZADKO-BDXSIMOUSA-N 0 0 376.545 3.612 10 0 GHAERN CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)cc1 ZINC000105619852 841672071 /nfs/dbraw/zinc/67/20/71/841672071.db2.gz NQTUFVQIDUMYEE-UHFFFAOYSA-N 0 0 398.488 3.552 10 0 GHAERN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@H]32)c1 ZINC000330245007 841842012 /nfs/dbraw/zinc/84/20/12/841842012.db2.gz KMSLXIWBRPACKH-OXQOHEQNSA-N 0 0 384.501 3.526 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@@H]3CCC[C@H]32)nn1-c1ccccc1C(F)(F)F ZINC000330337301 841975454 /nfs/dbraw/zinc/97/54/54/841975454.db2.gz ZVAIECSLSIEKCS-DZGCQCFKSA-N 0 0 391.393 3.574 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408191079 842205457 /nfs/dbraw/zinc/20/54/57/842205457.db2.gz FQAGCLUZZUDGNH-MKXGPGLRSA-N 0 0 376.472 3.765 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccnc(N3CCCC3)c2)C12CCCC2 ZINC000153233161 842322183 /nfs/dbraw/zinc/32/21/83/842322183.db2.gz QDCMDWLRUPWXTA-MOPGFXCFSA-N 0 0 386.540 3.561 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@H]3CC[C@@H](C)c4ccccc43)CC2)n1 ZINC000246588293 842380603 /nfs/dbraw/zinc/38/06/03/842380603.db2.gz NZCMKDRWNFWBPC-KDOFPFPSSA-N 0 0 385.537 3.707 10 0 GHAERN Cc1c(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)sc2nc3n(c(=O)c12)CCC3 ZINC000329348802 861311712 /nfs/dbraw/zinc/31/17/12/861311712.db2.gz SIDJCBGROSDJOB-GJZGRUSLSA-N 0 0 385.533 3.659 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc3ccccc3[nH]c1=O)CCCC2 ZINC000279206573 842713912 /nfs/dbraw/zinc/71/39/12/842713912.db2.gz NITDGLCQPSFFMC-LJQANCHMSA-N 0 0 376.460 3.530 10 0 GHAERN CCO[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2c2nccn2CC)C12CCCCC2 ZINC000329370488 861338119 /nfs/dbraw/zinc/33/81/19/861338119.db2.gz ATGAGWOKBAAYDR-YDZRNGNQSA-N 0 0 389.540 3.567 10 0 GHAERN COc1ccc(S(=O)(=O)N2CCC3(CCOCC3)[C@H]2C)c(Cl)c1Cl ZINC000408210526 842858987 /nfs/dbraw/zinc/85/89/87/842858987.db2.gz IKEPWQWTBCDGAV-LLVKDONJSA-N 0 0 394.320 3.582 10 0 GHAERN Cc1ccc(NC(=O)N2CCC[C@H]2Cn2ccnc2)c(OCC(F)(F)F)c1 ZINC000163085982 842961192 /nfs/dbraw/zinc/96/11/92/842961192.db2.gz VYIAWCOMRMHWFE-AWEZNQCLSA-N 0 0 382.386 3.829 10 0 GHAERN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc4ccc(C(C)(C)C)cc4[nH]3)CCO2)n1 ZINC000329403071 861377854 /nfs/dbraw/zinc/37/78/54/861377854.db2.gz ZOOFMJQGSSCNDF-LJQANCHMSA-N 0 0 394.519 3.820 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162344829 843234166 /nfs/dbraw/zinc/23/41/66/843234166.db2.gz RIJUDKMUYFXHOM-UHFFFAOYSA-N 0 0 380.517 3.947 10 0 GHAERN Cc1cccnc1C=CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1 ZINC000588453017 843320062 /nfs/dbraw/zinc/32/00/62/843320062.db2.gz RMGLPNGHGMIKTI-PLNGDYQASA-N 0 0 388.389 3.942 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)n1 ZINC000112283891 843351507 /nfs/dbraw/zinc/35/15/07/843351507.db2.gz JKYHLNIQVZUHAS-ROUUACIJSA-N 0 0 389.565 3.586 10 0 GHAERN CCn1c(CN2CCCN(C(=O)c3cccs3)CC2)nc2c1cccc2F ZINC000112351815 843353156 /nfs/dbraw/zinc/35/31/56/843353156.db2.gz LQPYBLCHRSEYSG-UHFFFAOYSA-N 0 0 386.496 3.605 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000123594026 843416641 /nfs/dbraw/zinc/41/66/41/843416641.db2.gz FVJRZTMFEGNZDQ-QAPCUYQASA-N 0 0 381.314 3.594 10 0 GHAERN CC(C)(C)c1nc2ccc(NC(=O)N3CCC[C@]4(CNC(=O)C4)C3)cc2s1 ZINC000408260142 843627674 /nfs/dbraw/zinc/62/76/74/843627674.db2.gz SQYBXUFQFVKCIS-FQEVSTJZSA-N 0 0 386.521 3.728 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333041450 843879861 /nfs/dbraw/zinc/87/98/61/843879861.db2.gz ALYVRETXZVWQIW-XHHISWJOSA-N 0 0 376.522 3.615 10 0 GHAERN O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000332953618 844677365 /nfs/dbraw/zinc/67/73/65/844677365.db2.gz WCSYPWMRSCKBFM-QFHJOOASSA-N 0 0 399.288 3.910 10 0 GHAERN CC[C@](C)(NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1nc(C)cs1 ZINC000150735242 844986539 /nfs/dbraw/zinc/98/65/39/844986539.db2.gz VWZRPGLAPFXRRJ-KSSFIOAISA-N 0 0 375.519 3.696 10 0 GHAERN Cc1cc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c(C)n1C1CC1 ZINC000150787916 845019049 /nfs/dbraw/zinc/01/90/49/845019049.db2.gz JDJMYNPLTSDQGJ-UHFFFAOYSA-N 0 0 379.504 3.722 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3cccc(-c4nccn4C)c3)CC2)n1 ZINC000150895050 845069829 /nfs/dbraw/zinc/06/98/29/845069829.db2.gz HLRWHBJOFBMUON-UHFFFAOYSA-N 0 0 390.491 3.581 10 0 GHAERN O=C(NCCc1nc2cc(Cl)ccc2s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332973099 845146993 /nfs/dbraw/zinc/14/69/93/845146993.db2.gz QBVGPRKPOBUZCK-DJJJIMSYSA-N 0 0 393.940 3.829 10 0 GHAERN O=C(N[C@@H]1C[C@H]1c1ccccc1Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332985111 845285103 /nfs/dbraw/zinc/28/51/03/845285103.db2.gz DITSARSTPJEYFN-YRMAPFEESA-N 0 0 393.325 3.642 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)N2C[C@@H](OC)C[C@H]2c2nc(C)no2)cc1 ZINC000248969321 845483096 /nfs/dbraw/zinc/48/30/96/845483096.db2.gz OTZDOKRXVKZLOP-ROUUACIJSA-N 0 0 387.484 3.608 10 0 GHAERN Cc1cc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3c3ccc(C)o3)C2)n(C)n1 ZINC000408446272 845489031 /nfs/dbraw/zinc/48/90/31/845489031.db2.gz JCTMPVPERVKVJA-ROUUACIJSA-N 0 0 385.512 3.536 10 0 GHAERN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000151869250 845921455 /nfs/dbraw/zinc/92/14/55/845921455.db2.gz SXBXTBZUSFCXSO-QGZVFWFLSA-N 0 0 387.867 3.685 10 0 GHAERN C[C@@H]1CCCC[C@H]1OCc1noc([C@H]2CCCN(C(=O)N3CCCC3)C2)n1 ZINC000329547740 861631030 /nfs/dbraw/zinc/63/10/30/861631030.db2.gz BCLSAOVMSDXBHU-IXDOHACOSA-N 0 0 376.501 3.560 10 0 GHAERN Cc1cc(C)n(C[C@@H]2CN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)CCO2)n1 ZINC000246625558 846359766 /nfs/dbraw/zinc/35/97/66/846359766.db2.gz QZLITLBSNVFOFC-FYINFDKHSA-N 0 0 382.508 3.549 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128288058 847102543 /nfs/dbraw/zinc/10/25/43/847102543.db2.gz XIHCKBZJABPLIR-IUODEOHRSA-N 0 0 397.846 3.675 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)C2)n1 ZINC000329611719 861772338 /nfs/dbraw/zinc/77/23/38/861772338.db2.gz JUYVQFABMINVLW-OWCLPIDISA-N 0 0 385.599 3.669 10 0 GHAERN C[C@@H]1CN(C(=O)NC2CCN(c3cccs3)CC2)C[C@H](c2ccsc2)O1 ZINC000152560713 847314531 /nfs/dbraw/zinc/31/45/31/847314531.db2.gz NXGLUEVQIJUGFS-RHSMWYFYSA-N 0 0 391.562 3.950 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3SCCc4sccc43)C2)no1 ZINC000329635257 861854376 /nfs/dbraw/zinc/85/43/76/861854376.db2.gz UJMOYKBBCQMUMV-DOMZBBRYSA-N 0 0 377.535 3.991 10 0 GHAERN CC(=O)N1CCN(Cc2ccccc2NC(=O)/C(C)=C\c2ccc(F)cc2)CC1 ZINC000588538310 848019493 /nfs/dbraw/zinc/01/94/93/848019493.db2.gz FZJVFLUFKDRWCN-ICFOKQHNSA-N 0 0 395.478 3.532 10 0 GHAERN CNC(=O)c1ccc(/C=C/C(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1 ZINC000153029350 848044604 /nfs/dbraw/zinc/04/46/04/848044604.db2.gz ZHDNGFWRFHMQIO-YRNVUSSQSA-N 0 0 375.428 3.970 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cnn1-c1cccc(C)c1 ZINC000329647919 861897658 /nfs/dbraw/zinc/89/76/58/861897658.db2.gz AUMJMGGLGVAYLD-SFHVURJKSA-N 0 0 379.464 3.973 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@H](C)c3c(C)noc3C)C2)c1 ZINC000119914644 848463569 /nfs/dbraw/zinc/46/35/69/848463569.db2.gz SGSSUXGLGANBHI-BBRMVZONSA-N 0 0 387.480 3.611 10 0 GHAERN COc1ccccc1/C(C)=C\C(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000588562665 848830973 /nfs/dbraw/zinc/83/09/73/848830973.db2.gz JDCQCRAANPFGCW-ZSMUJPCHSA-N 0 0 384.442 3.878 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)nc21 ZINC000155548571 849553215 /nfs/dbraw/zinc/55/32/15/849553215.db2.gz UQVYAESZDCHEOS-QHCPKHFHSA-N 0 0 375.472 3.504 10 0 GHAERN COc1cc(C=CC(=O)Nc2c[nH]nc2-c2ccccn2)ccc1OC(F)F ZINC000155520017 849557477 /nfs/dbraw/zinc/55/74/77/849557477.db2.gz HHXFMPDKWNORRN-SOFGYWHQSA-N 0 0 386.358 3.734 10 0 GHAERN O=C(/C=C\c1ccncn1)N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1 ZINC000588574432 849564454 /nfs/dbraw/zinc/56/44/54/849564454.db2.gz VYZKJTOVUUBZTA-VOKGJARPSA-N 0 0 377.275 3.582 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCc1cccc(-c2ccccn2)c1 ZINC000155566458 849566293 /nfs/dbraw/zinc/56/62/93/849566293.db2.gz PZGVFSHNJAIYOO-DEOSSOPVSA-N 0 0 399.494 3.901 10 0 GHAERN C[C@H](NC(=O)N[C@H]1CCO[C@H](c2nccn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333833797 851241344 /nfs/dbraw/zinc/24/13/44/851241344.db2.gz LZOQGARXSKDGQO-RRKHAYERSA-N 0 0 386.540 3.544 10 0 GHAERN Brc1ccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000333867537 851790563 /nfs/dbraw/zinc/79/05/63/851790563.db2.gz TWECFWYBYHINMF-CAOSSQGBSA-N 0 0 390.281 3.639 10 0 GHAERN O=C(NC1C2CC3CC(C2)CC1C3)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000121045856 851796018 /nfs/dbraw/zinc/79/60/18/851796018.db2.gz LYMOTXHUQGPTNT-UHFFFAOYSA-N 0 0 381.520 3.871 10 0 GHAERN COc1ccc(Cl)cc1NC(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000101735955 851858320 /nfs/dbraw/zinc/85/83/20/851858320.db2.gz OXEGHNCIZSIHGF-CYBMUJFWSA-N 0 0 381.904 3.753 10 0 GHAERN CC1(C)Oc2ccsc2[C@@H](NC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)[C@@H]1O ZINC000333701222 852523465 /nfs/dbraw/zinc/52/34/65/852523465.db2.gz DWVVBTWIFSIUKH-SVBLFDIKSA-N 0 0 377.428 3.806 10 0 GHAERN C[C@H](c1nnnn1C1CCCCC1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000329941906 862442342 /nfs/dbraw/zinc/44/23/42/862442342.db2.gz GXXPAXIJSLYDHN-OAHLLOKOSA-N 0 0 395.486 3.622 10 0 GHAERN C[C@@]12CN(C(=O)NC3CCN(C(=O)c4ccccc4F)CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333970224 853289434 /nfs/dbraw/zinc/28/94/34/853289434.db2.gz VKOCOQWQWYIFBR-KEWOZMMASA-N 0 0 399.510 3.508 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H](N2CCCC2=O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000334055899 853853489 /nfs/dbraw/zinc/85/34/89/853853489.db2.gz VDYRBZXRGBVZEA-GWZYHKFFSA-N 0 0 387.568 3.778 10 0 GHAERN C[C@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000046536352 854299272 /nfs/dbraw/zinc/29/92/72/854299272.db2.gz MRSPSGIGILJMMQ-NSHDSACASA-N 0 0 383.926 3.692 10 0 GHAERN CC(C)(C)c1csc([C@@H]2CN(C(=O)c3snnc3C(C)(C)C)CCO2)n1 ZINC000328698787 854514219 /nfs/dbraw/zinc/51/42/19/854514219.db2.gz VFQLQQDVQRJULY-NSHDSACASA-N 0 0 394.566 3.803 10 0 GHAERN C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)C1 ZINC000328768952 854534825 /nfs/dbraw/zinc/53/48/25/854534825.db2.gz QMFVYEBDESSGER-GFEQUFNTSA-N 0 0 390.572 3.858 10 0 GHAERN O=C(c1n[nH]c2ccc(Cl)cc21)N1CCC(N2CCc3ccccc32)CC1 ZINC000328904281 854589415 /nfs/dbraw/zinc/58/94/15/854589415.db2.gz JDFNKJXHHRKXRU-UHFFFAOYSA-N 0 0 380.879 3.884 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](Nc2ccccc2)C1 ZINC000328935191 854608219 /nfs/dbraw/zinc/60/82/19/854608219.db2.gz JFFRPDDYHSKCOJ-QKNQBKEWSA-N 0 0 382.508 3.645 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(c1ccnc(N[C@H]3CCCO[C@H]3C(C)C)n1)C2 ZINC000330142898 862610969 /nfs/dbraw/zinc/61/09/69/862610969.db2.gz QUVLORMQEZVRBD-JXFKEZNVSA-N 0 0 398.555 3.512 10 0 GHAERN CCC(C)(C)NC(=O)C[S@@](=O)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000105706516 855134565 /nfs/dbraw/zinc/13/45/65/855134565.db2.gz ZYGCKXPFMPLGII-HHHXNRCGSA-N 0 0 391.508 3.958 10 0 GHAERN CC[C@H](NC(=O)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1)c1cccs1 ZINC000057234609 855431171 /nfs/dbraw/zinc/43/11/71/855431171.db2.gz UOZIEGJEESPDKZ-KRWDZBQOSA-N 0 0 389.496 3.814 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H](C)[C@@H]1c1cccc(F)c1)CC2 ZINC000181744945 855592466 /nfs/dbraw/zinc/59/24/66/855592466.db2.gz UEDXHXNELLZDBN-POZUXBRTSA-N 0 0 385.487 3.648 10 0 GHAERN CCO[C@@H]1C[C@H](NC(=O)NCC2(c3ccc(F)cc3)CCC2)C12CCOCC2 ZINC000185977774 856475699 /nfs/dbraw/zinc/47/56/99/856475699.db2.gz KEVJJSCQGCLAOE-RBUKOAKNSA-N 0 0 390.499 3.521 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000045397966 856722330 /nfs/dbraw/zinc/72/23/30/856722330.db2.gz HRKUCROCZORHGJ-UHFFFAOYSA-N 0 0 398.478 3.735 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2C[C@@H](c3cccs3)C[C@H]2C)c(=O)[nH]1 ZINC000371007513 857052324 /nfs/dbraw/zinc/05/23/24/857052324.db2.gz KVEXDVCOOGALRW-YPMHNXCESA-N 0 0 377.535 3.611 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3cccs3)CC2)cc1 ZINC000056440852 857053335 /nfs/dbraw/zinc/05/33/35/857053335.db2.gz IBEBJHVNIGRKLU-JXMROGBWSA-N 0 0 384.501 3.581 10 0 GHAERN Cc1c(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)sc2nc3n(c(=O)c12)CCC3 ZINC000027850453 858735287 /nfs/dbraw/zinc/73/52/87/858735287.db2.gz HAFUEFKEBSUXPL-MNOVXSKESA-N 0 0 399.438 3.564 10 0 GHAERN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@H]1c3ccccc3CCC1(C)C)CC2 ZINC000251650154 859096482 /nfs/dbraw/zinc/09/64/82/859096482.db2.gz IZOBAJPGKWJLCJ-AQNXPRMDSA-N 0 0 386.536 3.662 10 0 GHAERN CCCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130112054 859371678 /nfs/dbraw/zinc/37/16/78/859371678.db2.gz WZNCJBXIGITAJA-SJORKVTESA-N 0 0 388.533 3.641 10 0 GHAERN Cc1ccc([C@H]2CSCCN2C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161559976 859718769 /nfs/dbraw/zinc/71/87/69/859718769.db2.gz SVYWBKBJWRVNQB-ZWKOTPCHSA-N 0 0 399.564 3.524 10 0 GHAERN COc1ccc([C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)c2nccn2C)cc1 ZINC000016472834 860163646 /nfs/dbraw/zinc/16/36/46/860163646.db2.gz XUYDSKDMHVRULK-OAHLLOKOSA-N 0 0 391.258 3.650 10 0 GHAERN O=C(NCCSc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000018214384 860202408 /nfs/dbraw/zinc/20/24/08/860202408.db2.gz NVXGRUBIDPNTBR-UHFFFAOYSA-N 0 0 386.492 3.586 10 0 GHAERN Cc1cccc(C)c1OC[C@H](C)NC(=O)N1CCc2c(nc(C(C)C)n2C)C1 ZINC000171869387 860430544 /nfs/dbraw/zinc/43/05/44/860430544.db2.gz XRGLFWDGACCPHT-KRWDZBQOSA-N 0 0 384.524 3.696 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 ZINC000102645056 860502035 /nfs/dbraw/zinc/50/20/35/860502035.db2.gz LWGMFSDJAICBCH-AUUYWEPGSA-N 0 0 375.428 3.866 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000102903348 860620208 /nfs/dbraw/zinc/62/02/08/860620208.db2.gz JBFXUPPUAZZFOZ-UYAOXDASSA-N 0 0 396.466 3.737 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000103587238 881583227 /nfs/dbraw/zinc/58/32/27/881583227.db2.gz NCOSSQHSAYOLFF-UHFFFAOYSA-N 0 0 379.354 3.881 10 0 GHAERN COc1ccccc1[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000102990039 860933422 /nfs/dbraw/zinc/93/34/22/860933422.db2.gz DWBWZSWAHUKRFY-SQNIBIBYSA-N 0 0 397.519 3.514 10 0 GHAERN Cc1sc2nc([C@@H](C)N3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034811 860965730 /nfs/dbraw/zinc/96/57/30/860965730.db2.gz MOBZLPPJTDEJIL-MFKMUULPSA-N 0 0 385.493 3.825 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N=c1cc(C2CCCCC2)[nH][nH]1 ZINC000329044597 860973950 /nfs/dbraw/zinc/97/39/50/860973950.db2.gz ULJCNFWQLXTVLG-OXQOHEQNSA-N 0 0 385.512 3.763 10 0 GHAERN Cc1cc(-c2noc([C@@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)n2)ccc1F ZINC000329060957 860985045 /nfs/dbraw/zinc/98/50/45/860985045.db2.gz USISTBDTERIXDY-IUODEOHRSA-N 0 0 383.427 3.995 10 0 GHAERN COc1ccc(CN(C)C(=O)NCc2ccc(OC)c(OC(F)F)c2)cc1C ZINC000103178799 863902233 /nfs/dbraw/zinc/90/22/33/863902233.db2.gz VDRQBXQZIPPPKE-UHFFFAOYSA-N 0 0 394.418 3.955 10 0 GHAERN CCN(CC)c1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cn1 ZINC000103179760 863903609 /nfs/dbraw/zinc/90/36/09/863903609.db2.gz VYSJMSVXIOGZKQ-JOCHJYFZSA-N 0 0 389.503 3.912 10 0 GHAERN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000103431123 863979955 /nfs/dbraw/zinc/97/99/55/863979955.db2.gz CRHKDPOIDUZLES-YOEHRIQHSA-N 0 0 386.879 3.645 10 0 GHAERN O=C(CN1CCO[C@@H](c2ccccc2Cl)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000103490293 864036323 /nfs/dbraw/zinc/03/63/23/864036323.db2.gz FLVRFRSXDXROHR-XJKSGUPXSA-N 0 0 390.833 3.514 10 0 GHAERN CCSc1ccc([C@@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103793270 864056890 /nfs/dbraw/zinc/05/68/90/864056890.db2.gz ISZVFNVCJKDSAI-GFCCVEGCSA-N 0 0 387.896 3.919 10 0 GHAERN Cc1c(C)n(Cc2ccco2)c2ncnc(NC[C@@H](O)Cc3ccccc3)c12 ZINC000103795460 864058757 /nfs/dbraw/zinc/05/87/57/864058757.db2.gz CYCFGCLGXNLKAN-SFHVURJKSA-N 0 0 376.460 3.705 10 0 GHAERN O=C(c1ccc(-n2cnnn2)cc1Cl)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000103767664 864086420 /nfs/dbraw/zinc/08/64/20/864086420.db2.gz JTEAZYCLVHOQPA-IBGZPJMESA-N 0 0 379.851 3.608 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000153754157 864107352 /nfs/dbraw/zinc/10/73/52/864107352.db2.gz IDOVCZIVUZIZIB-MSOLQXFVSA-N 0 0 382.512 3.958 10 0 GHAERN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104237564 864218671 /nfs/dbraw/zinc/21/86/71/864218671.db2.gz JOEOFLJPYBHPMX-UHFFFAOYSA-N 0 0 391.402 3.518 10 0 GHAERN Cn1c2ccc(Cl)cc2nc1NC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000104384684 864331408 /nfs/dbraw/zinc/33/14/08/864331408.db2.gz BZGDZQQYIMVSAQ-UHFFFAOYSA-N 0 0 382.851 3.683 10 0 GHAERN Cc1ccc(O[C@@H](C)C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000104785135 864640465 /nfs/dbraw/zinc/64/04/65/864640465.db2.gz OBPNUTAXONHJST-HNNXBMFYSA-N 0 0 378.925 3.822 10 0 GHAERN Cc1ccc(CN2C[C@@H](C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2=O)cc1 ZINC000105003064 864805542 /nfs/dbraw/zinc/80/55/42/864805542.db2.gz PGCYFGWUUFZBAN-NZQKXSOJSA-N 0 0 388.467 3.842 10 0 GHAERN Cc1noc(-c2cccnc2NCC2CCN(Cc3csc(C)n3)CC2)n1 ZINC000301391464 865332239 /nfs/dbraw/zinc/33/22/39/865332239.db2.gz HFLIJRNWAOBYNC-UHFFFAOYSA-N 0 0 384.509 3.529 10 0 GHAERN COc1ccc(CCC(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)cc1 ZINC000090678499 881864575 /nfs/dbraw/zinc/86/45/75/881864575.db2.gz HAKLBEXWLDOYRB-UHFFFAOYSA-N 0 0 391.471 3.641 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000303898911 865809034 /nfs/dbraw/zinc/80/90/34/865809034.db2.gz QGRFISNEMCVUQT-IAGOWNOFSA-N 0 0 392.569 3.664 10 0 GHAERN C[C@H]1CCc2[nH]c3ccc(C(=O)N4CCO[C@H](c5nccs5)C4)cc3c2C1 ZINC000110874544 866661851 /nfs/dbraw/zinc/66/18/51/866661851.db2.gz JUNDMHUZQCCXIR-DJJJIMSYSA-N 0 0 381.501 3.963 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113889808 866760775 /nfs/dbraw/zinc/76/07/75/866760775.db2.gz PCIDMXPZTQHCOH-YLJYHZDGSA-N 0 0 388.471 3.670 10 0 GHAERN COc1ccc(C2(CNC(=O)N3CC[C@@H](c4cnn(C)c4)C3)CCCCC2)cc1 ZINC000116424664 866791538 /nfs/dbraw/zinc/79/15/38/866791538.db2.gz KUVCOLYNNZVQOC-GOSISDBHSA-N 0 0 396.535 3.830 10 0 GHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)C(C)C ZINC000170891070 882067537 /nfs/dbraw/zinc/06/75/37/882067537.db2.gz VKTIOXBUYFESCA-FUHWJXTLSA-N 0 0 385.533 3.612 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171170260 882085585 /nfs/dbraw/zinc/08/55/85/882085585.db2.gz OTZPXPPFALAHBD-OAQYLSRUSA-N 0 0 382.479 3.815 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)Nc1cccc(-c2cccs2)c1 ZINC000171378234 882102349 /nfs/dbraw/zinc/10/23/49/882102349.db2.gz FAPUKFMPBTZAQS-UHFFFAOYSA-N 0 0 376.445 3.713 10 0 GHAERN O=C(Nc1ccc2scnc2c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000171373188 882102463 /nfs/dbraw/zinc/10/24/63/882102463.db2.gz QCOMXBUZJJJBDU-UHFFFAOYSA-N 0 0 386.521 3.943 10 0 GHAERN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000245604059 867657633 /nfs/dbraw/zinc/65/76/33/867657633.db2.gz QDQMCCRFJIEBHZ-OFMNTLCXSA-N 0 0 379.859 3.821 10 0 GHAERN O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151501363 867678067 /nfs/dbraw/zinc/67/80/67/867678067.db2.gz ACSABQCLJKOYLL-BFUOFWGJSA-N 0 0 394.302 3.946 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000171613048 882146016 /nfs/dbraw/zinc/14/60/16/882146016.db2.gz LKAZELDMMBQONE-UHFFFAOYSA-N 0 0 394.515 3.853 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)NCC[C@@H]1c3ccccc3NC1=O)CCC2 ZINC000171898446 882146932 /nfs/dbraw/zinc/14/69/32/882146932.db2.gz RAFCWZFAOAQWCE-PBHICJAKSA-N 0 0 384.505 3.596 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@@H](Nc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000171779537 882160173 /nfs/dbraw/zinc/16/01/73/882160173.db2.gz KCAUYBVZGGHDOR-VQIMIIECSA-N 0 0 394.475 3.600 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(C(=O)NCc2ccccn2)c1 ZINC000172054625 882165907 /nfs/dbraw/zinc/16/59/07/882165907.db2.gz BBRGJHBNRQQITQ-VFNWGFHPSA-N 0 0 387.439 3.515 10 0 GHAERN O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000172051295 882184246 /nfs/dbraw/zinc/18/42/46/882184246.db2.gz MDPBQBFXEUQTFY-GOSISDBHSA-N 0 0 398.466 3.938 10 0 GHAERN Nc1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cc(Cl)n1 ZINC000172051393 882185506 /nfs/dbraw/zinc/18/55/06/882185506.db2.gz BBEQJLOPHZMBII-AWEZNQCLSA-N 0 0 381.867 3.727 10 0 GHAERN C[C@@H](CNC(=O)N1CCC[C@@H](c2nccs2)C1)N1CCc2sccc2C1 ZINC000172224731 882188475 /nfs/dbraw/zinc/18/84/75/882188475.db2.gz YEEDHPCHEPABDT-GOEBONIOSA-N 0 0 390.578 3.540 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NCC[C@@H]3C(=O)Nc4ccccc43)C2)n1 ZINC000172239277 882190045 /nfs/dbraw/zinc/19/00/45/882190045.db2.gz AFWGTKSHUYISFH-YOEHRIQHSA-N 0 0 398.532 3.721 10 0 GHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1N1CCCS1(=O)=O ZINC000248449588 869105130 /nfs/dbraw/zinc/10/51/30/869105130.db2.gz XTXMJBJPODGIEV-SZMVWBNQSA-N 0 0 391.537 3.577 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C(F)(F)F)cc2)no1 ZINC000173822513 869117661 /nfs/dbraw/zinc/11/76/61/869117661.db2.gz ALFUPYWKHOUQND-CYBMUJFWSA-N 0 0 389.399 3.738 10 0 GHAERN O=C(NCc1ccccc1OCC1CC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000172457955 882277462 /nfs/dbraw/zinc/27/74/62/882277462.db2.gz QDFZFCMIBNCKHS-UHFFFAOYSA-N 0 0 398.528 3.706 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)NC3CCN(CC(F)(F)F)CC3)C2)cc1 ZINC000172365657 882279763 /nfs/dbraw/zinc/27/97/63/882279763.db2.gz JEHIFZDDKAMNLM-HOCLYGCPSA-N 0 0 399.457 3.609 10 0 GHAERN CC(C)(C)Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)n[nH]1 ZINC000172664048 882284148 /nfs/dbraw/zinc/28/41/48/882284148.db2.gz HCJNROVGOIWMBF-UHFFFAOYSA-N 0 0 386.471 3.628 10 0 GHAERN CC[C@H](C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172687583 882285650 /nfs/dbraw/zinc/28/56/50/882285650.db2.gz YSWSWVMKQQVQNZ-SFHVURJKSA-N 0 0 379.504 3.761 10 0 GHAERN Cc1cc(NC(=O)N[C@H]2Cc3ccccc3[C@H]2O)ccc1NC(=O)c1ccco1 ZINC000172476979 882287658 /nfs/dbraw/zinc/28/76/58/882287658.db2.gz MAAVCRORXBGSSS-AZUAARDMSA-N 0 0 391.427 3.620 10 0 GHAERN Cc1cc(C)cc(C[C@@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1 ZINC000172759492 882305701 /nfs/dbraw/zinc/30/57/01/882305701.db2.gz ZGGDFJZGVBAYCU-QGZVFWFLSA-N 0 0 384.545 3.965 10 0 GHAERN CCN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000172755900 882306113 /nfs/dbraw/zinc/30/61/13/882306113.db2.gz SPDVCYVXLJXEBE-KRWDZBQOSA-N 0 0 395.503 3.552 10 0 GHAERN COc1ccccc1-c1nnc(C[S@@](=O)Cc2cc(-c3ccccc3)on2)o1 ZINC000172839323 882312438 /nfs/dbraw/zinc/31/24/38/882312438.db2.gz LDOWFHRRYDPANM-NDEPHWFRSA-N 0 0 395.440 3.849 10 0 GHAERN CC(C)COc1ccccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172844865 882313732 /nfs/dbraw/zinc/31/37/32/882313732.db2.gz RITURANWNFASAK-UHFFFAOYSA-N 0 0 381.476 3.607 10 0 GHAERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173078119 882319913 /nfs/dbraw/zinc/31/99/13/882319913.db2.gz ACKUHSKJTDAHIZ-INIZCTEOSA-N 0 0 399.922 3.677 10 0 GHAERN O=C(NC1(c2ccccc2)CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173036050 882332688 /nfs/dbraw/zinc/33/26/88/882332688.db2.gz SBKUJXYTDVWGRE-UHFFFAOYSA-N 0 0 377.488 3.520 10 0 GHAERN CN(C(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000173031856 882333330 /nfs/dbraw/zinc/33/33/30/882333330.db2.gz JJTIWWIYYQPPHC-UHFFFAOYSA-N 0 0 392.286 3.904 10 0 GHAERN COc1ccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)cc1OC ZINC000173223698 882341073 /nfs/dbraw/zinc/34/10/73/882341073.db2.gz USOAHKPISHYGDE-UHFFFAOYSA-N 0 0 387.455 3.629 10 0 GHAERN COCCOCc1cc(C(=O)N2CCC(c3nc(C)cs3)CC2)ccc1F ZINC000173431944 882361687 /nfs/dbraw/zinc/36/16/87/882361687.db2.gz JUAOAUHRTSRBCV-UHFFFAOYSA-N 0 0 392.496 3.773 10 0 GHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NC2CCN(c3ncccn3)CC2)cc1 ZINC000173727866 882369964 /nfs/dbraw/zinc/36/99/64/882369964.db2.gz UKDJKIVMMNQFII-FQEVSTJZSA-N 0 0 379.508 3.691 10 0 GHAERN Cc1c(C(=O)N[C@H](c2nccs2)c2ccccc2)cccc1N1CCNC1=O ZINC000173534930 882376170 /nfs/dbraw/zinc/37/61/70/882376170.db2.gz LWYRQVCULBPTKT-SFHVURJKSA-N 0 0 392.484 3.501 10 0 GHAERN Nn1c(SCc2ncc(-c3ccccc3Cl)o2)nnc1[C@@H]1CCCCO1 ZINC000173774557 882401891 /nfs/dbraw/zinc/40/18/91/882401891.db2.gz ULIPRSIDFPHXHR-ZDUSSCGKSA-N 0 0 391.884 3.834 10 0 GHAERN CCCc1noc(CSCC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)n1 ZINC000173779337 882403219 /nfs/dbraw/zinc/40/32/19/882403219.db2.gz UUFINEJFEGRSER-MRXNPFEDSA-N 0 0 375.494 3.628 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2noc(C(C)(C)C)n2)cc1 ZINC000173781510 882403415 /nfs/dbraw/zinc/40/34/15/882403415.db2.gz FAPKTSGXYOCQBD-INIZCTEOSA-N 0 0 389.521 3.973 10 0 GHAERN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@H]21 ZINC000046483703 870434598 /nfs/dbraw/zinc/43/45/98/870434598.db2.gz NYMVCBHSGXQCTB-UXHICEINSA-N 0 0 388.471 3.718 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1)C1CC1 ZINC000174068014 882421228 /nfs/dbraw/zinc/42/12/28/882421228.db2.gz RMFPNRIPMNSGLA-UHFFFAOYSA-N 0 0 381.451 3.891 10 0 GHAERN O=C(c1cccc(N2CCCC2=O)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000174085562 882424139 /nfs/dbraw/zinc/42/41/39/882424139.db2.gz ACOXIIDHJGOSDR-UHFFFAOYSA-N 0 0 381.451 3.669 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)c3c2CCC3)c(C)c1 ZINC000106771399 870619887 /nfs/dbraw/zinc/61/98/87/870619887.db2.gz NYVQJQWMNFEKKV-FQEVSTJZSA-N 0 0 389.503 3.689 10 0 GHAERN CCc1c(C(=O)N2CCC(Nc3ccccc3F)CC2)cnn1-c1ccccn1 ZINC000174091016 882425663 /nfs/dbraw/zinc/42/56/63/882425663.db2.gz ATJJZKVRDLHMJJ-UHFFFAOYSA-N 0 0 393.466 3.686 10 0 GHAERN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC[C@H]1CCN(C)c2ccccc21 ZINC000174525266 882477541 /nfs/dbraw/zinc/47/75/41/882477541.db2.gz OOSCBIAOIOCHLS-MRXNPFEDSA-N 0 0 394.475 3.697 10 0 GHAERN CCOc1ccc(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1OC ZINC000174633519 882487256 /nfs/dbraw/zinc/48/72/56/882487256.db2.gz IVLNXTHMPJYKKQ-UHFFFAOYSA-N 0 0 384.480 3.588 10 0 GHAERN COC(=O)c1ccc(F)c(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000175035127 882516707 /nfs/dbraw/zinc/51/67/07/882516707.db2.gz FIFNMPXCYXRCPU-UHFFFAOYSA-N 0 0 389.402 3.860 10 0 GHAERN COc1ccc(CN2CCCN(C(=O)c3cccs3)CC2)cc1OC(F)F ZINC000093385827 882524702 /nfs/dbraw/zinc/52/47/02/882524702.db2.gz RROYMJKICVYZRZ-UHFFFAOYSA-N 0 0 396.459 3.706 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)Cc3coc(-c4cccs4)n3)C2)c1 ZINC000175395579 882550303 /nfs/dbraw/zinc/55/03/03/882550303.db2.gz ASASNJWOAOJNRW-CQSZACIVSA-N 0 0 398.484 3.979 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4oc3=O)C2)c1 ZINC000175399532 882550411 /nfs/dbraw/zinc/55/04/11/882550411.db2.gz UOWKMEPGFDUGNN-CYBMUJFWSA-N 0 0 397.402 3.579 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)Nc3nc4ccccc4s3)c(=O)[nH]c21 ZINC000103428511 871942207 /nfs/dbraw/zinc/94/22/07/871942207.db2.gz FGTZYXHFMRCQHR-BQYQJAHWSA-N 0 0 379.445 3.567 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1cc(Br)ccc1Cl ZINC000103444710 872000904 /nfs/dbraw/zinc/00/09/04/872000904.db2.gz DEGGYGSFEHWJCM-UHFFFAOYSA-N 0 0 391.693 3.747 10 0 GHAERN O=C(/C=C/c1ccc(Br)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175505919 882589590 /nfs/dbraw/zinc/58/95/90/882589590.db2.gz FREBVQVCFFJFPS-MOTZXUDYSA-N 0 0 394.309 3.649 10 0 GHAERN Cn1c(=O)oc2ccc(NC(=O)/C=C/c3cc(Br)ccc3F)cc21 ZINC000102298131 872891807 /nfs/dbraw/zinc/89/18/07/872891807.db2.gz PGLDGGGNGHUZIN-FARCUNLSSA-N 0 0 391.196 3.685 10 0 GHAERN CSc1ccc(NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1Cl ZINC000176117922 882669639 /nfs/dbraw/zinc/66/96/39/882669639.db2.gz CZMXHSDVNPUDHB-UHFFFAOYSA-N 0 0 394.928 3.662 10 0 GHAERN C[C@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cc2ccccc2o1 ZINC000176370301 882684323 /nfs/dbraw/zinc/68/43/23/882684323.db2.gz ZQKHVTZBGGFMMN-HNNXBMFYSA-N 0 0 382.485 3.973 10 0 GHAERN C[C@@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000176471193 882697175 /nfs/dbraw/zinc/69/71/75/882697175.db2.gz SWLVQYMGAKNLTJ-GFCCVEGCSA-N 0 0 382.938 3.941 10 0 GHAERN COc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1NC(C)=O ZINC000176512073 882701854 /nfs/dbraw/zinc/70/18/54/882701854.db2.gz RDTZWZOIKJWWOM-UHFFFAOYSA-N 0 0 388.493 3.506 10 0 GHAERN O=S(=O)(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cccc2ncccc21 ZINC000102632300 873340822 /nfs/dbraw/zinc/34/08/22/873340822.db2.gz YEHONIXUZCXARD-UHFFFAOYSA-N 0 0 391.456 3.698 10 0 GHAERN Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c1 ZINC000116246626 873368757 /nfs/dbraw/zinc/36/87/57/873368757.db2.gz VXLPGTIFJDJJAH-UGKGYDQZSA-N 0 0 393.531 3.688 10 0 GHAERN COC(=O)CCc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000176585706 882715901 /nfs/dbraw/zinc/71/59/01/882715901.db2.gz ZRNVLGGIOMRNBU-UHFFFAOYSA-N 0 0 387.505 3.644 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3c(C)c4ccccc4oc3=O)C2)c1 ZINC000176611855 882718469 /nfs/dbraw/zinc/71/84/69/882718469.db2.gz BQXOQSKWVOGLDR-OAHLLOKOSA-N 0 0 393.439 3.748 10 0 GHAERN Cc1ccc(OCCN(C)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000102796841 873591890 /nfs/dbraw/zinc/59/18/90/873591890.db2.gz IPSFCKYJBFGZQX-UHFFFAOYSA-N 0 0 387.455 3.513 10 0 GHAERN CC(=O)c1cccc(OCCCC(=O)NC2CCN(c3cccc(C)n3)CC2)c1 ZINC000116671052 873616392 /nfs/dbraw/zinc/61/63/92/873616392.db2.gz SHWXWXAYGKLKKN-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN Cc1sc(NC(=O)COc2ccc(Cl)c3cccnc23)c(C(N)=O)c1C ZINC000102838749 873669481 /nfs/dbraw/zinc/66/94/81/873669481.db2.gz LNPMGXBRCYOFLP-UHFFFAOYSA-N 0 0 389.864 3.683 10 0 GHAERN Cc1ccc(SC2(C(=O)NCc3cccnc3-n3cncn3)CCCC2)cc1 ZINC000176986387 882755996 /nfs/dbraw/zinc/75/59/96/882755996.db2.gz FNZNJMQLVDHFHT-UHFFFAOYSA-N 0 0 393.516 3.692 10 0 GHAERN CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000116970105 873798794 /nfs/dbraw/zinc/79/87/94/873798794.db2.gz SFOWIRKWVZJFRE-UHFFFAOYSA-N 0 0 382.508 3.599 10 0 GHAERN O=C(CCC(=O)N1CCc2sccc2C1)N1CC=C(c2cccs2)CC1 ZINC000117722044 874147919 /nfs/dbraw/zinc/14/79/19/874147919.db2.gz LKTUDNURZZUVSM-UHFFFAOYSA-N 0 0 386.542 3.790 10 0 GHAERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000004305654 874215636 /nfs/dbraw/zinc/21/56/36/874215636.db2.gz NBIQDQPKWAWOBP-QHCPKHFHSA-N 0 0 376.456 3.605 10 0 GHAERN O=C(Nc1cnccc1-c1cccc(F)c1)C1CCN(c2cnccn2)CC1 ZINC000177531592 882811606 /nfs/dbraw/zinc/81/16/06/882811606.db2.gz NDYPAYDUHOOGDB-UHFFFAOYSA-N 0 0 377.423 3.533 10 0 GHAERN CC[C@@H](OC1CCCCC1)C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000177761107 882823747 /nfs/dbraw/zinc/82/37/47/882823747.db2.gz WTDCWEDZGRKPEV-HXUWFJFHSA-N 0 0 378.557 3.756 10 0 GHAERN COc1ccccc1CCN(C)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000104653864 874611126 /nfs/dbraw/zinc/61/11/26/874611126.db2.gz FGLIINVIICETSA-UHFFFAOYSA-N 0 0 386.496 3.898 10 0 GHAERN CN(Cc1nc2c(s1)CCCC2)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119226685 875026356 /nfs/dbraw/zinc/02/63/56/875026356.db2.gz IPEAWDDONJBLLQ-JTQLQIEISA-N 0 0 398.454 3.527 10 0 GHAERN Cc1nc2c(s1)[C@H](N(C)C(=O)N[C@H]1CCCn3nc(C(C)C)nc31)CCC2 ZINC000153919796 875143920 /nfs/dbraw/zinc/14/39/20/875143920.db2.gz JYSMHZUJPOTVAV-LSDHHAIUSA-N 0 0 388.541 3.720 10 0 GHAERN O=C(Nc1ccccc1OCC(F)F)C1CCN(C(=O)c2cccs2)CC1 ZINC000178314618 882903512 /nfs/dbraw/zinc/90/35/12/882903512.db2.gz FUAAJIJFZLUTDO-UHFFFAOYSA-N 0 0 394.443 3.883 10 0 GHAERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)C1 ZINC000119472214 875259945 /nfs/dbraw/zinc/25/99/45/875259945.db2.gz OUZKFGGQPXRLDD-CYBMUJFWSA-N 0 0 388.418 3.598 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685399 875366533 /nfs/dbraw/zinc/36/65/33/875366533.db2.gz QKWQCCDFOZNVOF-RXBISOJRSA-N 0 0 380.485 3.814 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3cccc(N4CCCC4=O)c3)CCO2)o1 ZINC000179186294 882978170 /nfs/dbraw/zinc/97/81/70/882978170.db2.gz OXSKFDOGSVQDLT-UZLBHIALSA-N 0 0 397.475 3.559 10 0 GHAERN CC(C)CSCCCNC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000179209944 882980835 /nfs/dbraw/zinc/98/08/35/882980835.db2.gz WKFQPVIFVNSTED-UHFFFAOYSA-N 0 0 383.602 3.590 10 0 GHAERN COC(=O)c1c(F)cccc1NC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000179226048 882982384 /nfs/dbraw/zinc/98/23/84/882982384.db2.gz QPIPHSNBSHSPIJ-UHFFFAOYSA-N 0 0 386.423 3.825 10 0 GHAERN CCCCCc1ccc(C(=O)CCC(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000120432345 876030665 /nfs/dbraw/zinc/03/06/65/876030665.db2.gz IIRZWQTYHWHRAN-UHFFFAOYSA-N 0 0 382.508 3.837 10 0 GHAERN Cc1nc(CCNC(=O)N2CCC(Nc3ccccc3F)CC2)sc1C ZINC000120669841 876194289 /nfs/dbraw/zinc/19/42/89/876194289.db2.gz IAIFQJWLEXLVSG-UHFFFAOYSA-N 0 0 376.501 3.728 10 0 GHAERN COCCn1nc(C)c(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1C ZINC000179595398 883010562 /nfs/dbraw/zinc/01/05/62/883010562.db2.gz VKSRXBMPLUYJPA-RDTXWAMCSA-N 0 0 386.496 3.565 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000180032172 883046650 /nfs/dbraw/zinc/04/66/50/883046650.db2.gz ACDSNSJBTHYDHP-VIOKTNGOSA-N 0 0 392.499 3.652 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)nn1-c1cccc(Cl)c1 ZINC000180345184 883051336 /nfs/dbraw/zinc/05/13/36/883051336.db2.gz RSRPNROFSLZLEM-QGZVFWFLSA-N 0 0 384.871 3.727 10 0 GHAERN Cc1c(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cccc1N(C)C ZINC000180137055 883062161 /nfs/dbraw/zinc/06/21/61/883062161.db2.gz FEWUFUVPAGZIOR-UHFFFAOYSA-N 0 0 386.540 3.708 10 0 GHAERN O=C(c1cccs1)N1CCCN(Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180239592 883068358 /nfs/dbraw/zinc/06/83/58/883068358.db2.gz FMYXUOMMEQRMTD-UHFFFAOYSA-N 0 0 386.546 3.683 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)c2ncncc2Cl)C3)cs1 ZINC000180269036 883071734 /nfs/dbraw/zinc/07/17/34/883071734.db2.gz SMEZAHBYFKEVNG-UHFFFAOYSA-N 0 0 376.894 3.822 10 0 GHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000121319725 876932953 /nfs/dbraw/zinc/93/29/53/876932953.db2.gz LMJOAFBPAZEKHT-BTYIYWSLSA-N 0 0 378.403 3.706 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N(C)Cc3cc(F)c(F)c(F)c3)CC2)n1 ZINC000180675561 883092713 /nfs/dbraw/zinc/09/27/13/883092713.db2.gz NAJCBVMMZDXTPU-UHFFFAOYSA-N 0 0 392.425 3.618 10 0 GHAERN CCCc1cnc(NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)s1 ZINC000180826767 883101488 /nfs/dbraw/zinc/10/14/88/883101488.db2.gz NFIYFYOVEAZRCI-UHFFFAOYSA-N 0 0 378.542 3.742 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCc3cnn(-c4ccccc4)c3)CC2)nc1 ZINC000180863374 883105211 /nfs/dbraw/zinc/10/52/11/883105211.db2.gz WWRRGXPYAARWAI-UHFFFAOYSA-N 0 0 390.487 3.578 10 0 GHAERN COc1cc(F)c(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)cc1OC ZINC000121516772 877293665 /nfs/dbraw/zinc/29/36/65/877293665.db2.gz OSZCWUCIMVSKOU-FQEVSTJZSA-N 0 0 384.382 3.896 10 0 GHAERN COc1cccc(CCCNC(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)c1 ZINC000121537133 877305327 /nfs/dbraw/zinc/30/53/27/877305327.db2.gz WLCOGMHDFZSVID-LJQANCHMSA-N 0 0 398.438 3.547 10 0 GHAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129469361 877325037 /nfs/dbraw/zinc/32/50/37/877325037.db2.gz ZZSAIQYPJIHTFT-AZUAARDMSA-N 0 0 387.499 3.684 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000121886860 877924336 /nfs/dbraw/zinc/92/43/36/877924336.db2.gz HFOIKWZXXVKPOL-UHFFFAOYSA-N 0 0 386.546 3.603 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 ZINC000121897104 877930420 /nfs/dbraw/zinc/93/04/20/877930420.db2.gz FXSITUXLRLCYKJ-UHFFFAOYSA-N 0 0 392.503 3.879 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(Cl)s1 ZINC000130354930 878306478 /nfs/dbraw/zinc/30/64/78/878306478.db2.gz OJIDHYCTBKZEDB-GXTWGEPZSA-N 0 0 383.945 3.943 10 0 GHAERN CN(Cc1ccccc1C(F)(F)F)C(=O)NCCCNC(=O)OC(C)(C)C ZINC000103517668 881264154 /nfs/dbraw/zinc/26/41/54/881264154.db2.gz UUPNDTLWYCLAEA-UHFFFAOYSA-N 0 0 389.418 3.762 10 0 GHAERN O=C(COc1ccccc1OCc1ccccc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181185876 883152693 /nfs/dbraw/zinc/15/26/93/883152693.db2.gz HMIATNHXKXTYFI-GOSISDBHSA-N 0 0 392.459 3.516 10 0 GHAERN O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000181528834 883160281 /nfs/dbraw/zinc/16/02/81/883160281.db2.gz HBIMANNDBULWND-UHFFFAOYSA-N 0 0 396.397 3.755 10 0 GHAERN CO[C@H](C)c1nc(C)c(C(=O)N2CCC(Oc3ccc(C)cn3)CC2)s1 ZINC000181564151 883164212 /nfs/dbraw/zinc/16/42/12/883164212.db2.gz ZZHVKXDOHPXDIA-CQSZACIVSA-N 0 0 375.494 3.546 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(Cl)n1 ZINC000181727318 883175538 /nfs/dbraw/zinc/17/55/38/883175538.db2.gz SBDLTDBDFSJBSQ-UHFFFAOYSA-N 0 0 377.916 3.607 10 0 GHAERN CC(C)c1ccc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)s2)cc1F ZINC000183578966 883264357 /nfs/dbraw/zinc/26/43/57/883264357.db2.gz NEJSCDNXOLIRSY-UHFFFAOYSA-N 0 0 398.463 3.723 10 0 GHAERN Cc1cc(C)cc([C@H]2CCN(C(=O)Nc3ccccc3N3C(=O)CCC3=O)C2)c1 ZINC000183686250 883280572 /nfs/dbraw/zinc/28/05/72/883280572.db2.gz YBZBICVOPBHQGK-KRWDZBQOSA-N 0 0 391.471 3.978 10 0 GHAERN O=C(NC1CCC(O)CC1)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000183782907 883287890 /nfs/dbraw/zinc/28/78/90/883287890.db2.gz CNZSMQPFZAGBCO-GPANFISMSA-N 0 0 389.496 3.929 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)Cc2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184022648 883300402 /nfs/dbraw/zinc/30/04/02/883300402.db2.gz HHZFZAYTKMSGCC-FQEVSTJZSA-N 0 0 387.430 3.600 10 0 GHAERN CCOc1cccc(CNC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000184030271 883301026 /nfs/dbraw/zinc/30/10/26/883301026.db2.gz QXPOMENFYBBQDJ-NRFANRHFSA-N 0 0 399.466 3.517 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2cc3ccccc3o2)c2ccc(F)cc2C1 ZINC000184030081 883301334 /nfs/dbraw/zinc/30/13/34/883301334.db2.gz ITDOEGCPHNOGPA-FQEVSTJZSA-N 0 0 395.434 3.865 10 0 GHAERN Cc1ccc(C(=O)CCCC(=O)N[C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000184034974 883301653 /nfs/dbraw/zinc/30/16/53/883301653.db2.gz MDAMDBLKAKDZBY-UGKGYDQZSA-N 0 0 393.531 3.770 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@H]2CCCCC2(C)C)c2ccc(F)cc2C1 ZINC000184036603 883302646 /nfs/dbraw/zinc/30/26/46/883302646.db2.gz OBVMWBQWVSYICZ-MOPGFXCFSA-N 0 0 375.488 3.887 10 0 GHAERN CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCCN(c2ccccn2)CC1 ZINC000183814372 883303799 /nfs/dbraw/zinc/30/37/99/883303799.db2.gz HRMJKNZDIMIRNP-SFHVURJKSA-N 0 0 380.536 3.746 10 0 GHAERN O=C(Nc1ccc(F)cc1OC(F)F)N1CCCN(c2ccccn2)CC1 ZINC000184119222 883321461 /nfs/dbraw/zinc/32/14/61/883321461.db2.gz FHQBKOMPYTYTQL-UHFFFAOYSA-N 0 0 380.370 3.566 10 0 GHAERN O=C(Nc1cc(F)ccc1OC(F)F)N1CCCN(c2ccccn2)CC1 ZINC000184124499 883322291 /nfs/dbraw/zinc/32/22/91/883322291.db2.gz GJYPVXRPMUPNDO-UHFFFAOYSA-N 0 0 380.370 3.566 10 0 GHAERN C[C@H](CC1CC1)NC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000185425148 883456943 /nfs/dbraw/zinc/45/69/43/883456943.db2.gz SOWLBVZRGRBYDM-CYBMUJFWSA-N 0 0 397.441 3.798 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3cc(F)c(OC)c(F)c3)C2)c1 ZINC000102532372 883537577 /nfs/dbraw/zinc/53/75/77/883537577.db2.gz UXAKBTOBEFAHLM-ZDUSSCGKSA-N 0 0 391.418 3.630 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCOc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000185502645 883545964 /nfs/dbraw/zinc/54/59/64/883545964.db2.gz JVTMGNJKTNLWMK-NRFANRHFSA-N 0 0 398.478 3.821 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)c2ccc(F)cc2C1 ZINC000185501179 883546509 /nfs/dbraw/zinc/54/65/09/883546509.db2.gz PEOOJAWUGDDTHM-QFIPXVFZSA-N 0 0 380.463 3.928 10 0 GHAERN CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185514833 883548739 /nfs/dbraw/zinc/54/87/39/883548739.db2.gz WOQYCIODQMLILE-SFTDATJTSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc3c(cc(F)cc3C)[nH]2)c2ccc(F)cc2C1 ZINC000185513190 883549044 /nfs/dbraw/zinc/54/90/44/883549044.db2.gz BNROCYWUMLMTCV-LJQANCHMSA-N 0 0 397.425 3.978 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C)s2)c2ccc(F)cc2C1 ZINC000185515846 883549125 /nfs/dbraw/zinc/54/91/25/883549125.db2.gz NLRYJLBDVWRQBP-MRXNPFEDSA-N 0 0 376.457 3.514 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)c2ccc(F)cc2C1 ZINC000185523012 883550078 /nfs/dbraw/zinc/55/00/78/883550078.db2.gz VLSRVLSBPHCJKW-BLVKFPJESA-N 0 0 387.455 3.534 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)CC2)nc1 ZINC000185812935 883576402 /nfs/dbraw/zinc/57/64/02/883576402.db2.gz LSIALNNJUOTBLE-HOTGVXAUSA-N 0 0 389.421 3.696 10 0 GHAERN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCN(c2ccccn2)CC1 ZINC000186393030 883654758 /nfs/dbraw/zinc/65/47/58/883654758.db2.gz AGUDRRWVXKFLFU-UHFFFAOYSA-N 0 0 394.450 3.547 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3cccc(OCC(F)F)c3)ccc2NC1=O ZINC000186612301 883674669 /nfs/dbraw/zinc/67/46/69/883674669.db2.gz WHWVTZCRWQJBNL-UHFFFAOYSA-N 0 0 390.390 3.630 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCCOc4c(F)cccc43)ccc2NC1=O ZINC000186640837 883679337 /nfs/dbraw/zinc/67/93/37/883679337.db2.gz AMTZMQGKIPTQEM-QGZVFWFLSA-N 0 0 384.411 3.838 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3ccccc3N3CCCCC3)ccc2NC1=O ZINC000186651157 883680794 /nfs/dbraw/zinc/68/07/94/883680794.db2.gz SLPUXKWYOMXMLK-UHFFFAOYSA-N 0 0 393.491 3.976 10 0 GHAERN CN1Cc2cc(NC(=O)NC[C@H](c3ccccc3)C(C)(C)CO)ccc2NC1=O ZINC000186677402 883686336 /nfs/dbraw/zinc/68/63/36/883686336.db2.gz KFMUUDHXCYKTOI-GOSISDBHSA-N 0 0 396.491 3.588 10 0 GHAERN CN1Cc2cc(NC(=O)NCCCc3c[nH]c4ccccc34)ccc2NC1=O ZINC000186692822 883688011 /nfs/dbraw/zinc/68/80/11/883688011.db2.gz YSMQOJAHCBODMD-UHFFFAOYSA-N 0 0 377.448 3.900 10 0 GHAERN Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(c2nc(N(C)C)no2)CC1 ZINC000186759038 883700419 /nfs/dbraw/zinc/70/04/19/883700419.db2.gz ARWARGCCDBTVQK-UHFFFAOYSA-N 0 0 391.475 3.526 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)Cc3ccc(OC(C)C)cc3)CC2)nc1 ZINC000186906645 883715581 /nfs/dbraw/zinc/71/55/81/883715581.db2.gz GBCYBVHBAGNGIC-UHFFFAOYSA-N 0 0 395.503 3.597 10 0 GHAERN COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(Nc2nccs2)CC1 ZINC000187306492 883768905 /nfs/dbraw/zinc/76/89/05/883768905.db2.gz IXRZQMDMOJXTRW-LBPRGKRZSA-N 0 0 378.473 3.638 10 0 GHAERN CCOCCC1(CNC(=O)N2CCC(Nc3nccs3)CC2)CCCC1 ZINC000187571193 883800923 /nfs/dbraw/zinc/80/09/23/883800923.db2.gz JNKUKMYFFSFPLD-UHFFFAOYSA-N 0 0 380.558 3.716 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000187682343 883813984 /nfs/dbraw/zinc/81/39/84/883813984.db2.gz SXIISSHLOCQAAL-UHFFFAOYSA-N 0 0 377.469 3.811 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)n1 ZINC000188385018 883838503 /nfs/dbraw/zinc/83/85/03/883838503.db2.gz ACTVKQDSTOKVJN-INIZCTEOSA-N 0 0 399.388 3.969 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000188234938 883841237 /nfs/dbraw/zinc/84/12/37/883841237.db2.gz OWTXLGVQUOEEBC-GOSISDBHSA-N 0 0 386.536 3.513 10 0 GHAERN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188595635 883844604 /nfs/dbraw/zinc/84/46/04/883844604.db2.gz MRASHNJMZCPJNV-FQEVSTJZSA-N 0 0 395.503 3.752 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@@H](C)C3CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000188404114 883846831 /nfs/dbraw/zinc/84/68/31/883846831.db2.gz GIHIGVJYDUZRPD-AWEZNQCLSA-N 0 0 393.553 3.661 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000188466090 883851912 /nfs/dbraw/zinc/85/19/12/883851912.db2.gz YXWGQMQNXMYQRB-NRFANRHFSA-N 0 0 375.509 3.593 10 0 GHAERN CC(C)[C@@H](NC(=O)N1CC2(CCOCC2)c2ccccc21)c1nc(C2CC2)no1 ZINC000188497683 883854459 /nfs/dbraw/zinc/85/44/59/883854459.db2.gz RQKDZGKOXOHNBT-GOSISDBHSA-N 0 0 396.491 3.922 10 0 GHAERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000188556723 883858493 /nfs/dbraw/zinc/85/84/93/883858493.db2.gz WEFBROMWDCLSGC-SFHVURJKSA-N 0 0 379.460 3.841 10 0 GHAERN CCOc1cccc2[nH]cc(CC(=O)NC3CCN(c4ccc(C)cn4)CC3)c21 ZINC000189005120 883897967 /nfs/dbraw/zinc/89/79/67/883897967.db2.gz SOFBQHLHFIXWLU-UHFFFAOYSA-N 0 0 392.503 3.598 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1)C1CC1 ZINC000189813375 884013418 /nfs/dbraw/zinc/01/34/18/884013418.db2.gz KUKZHSRATODWBW-UHFFFAOYSA-N 0 0 376.456 3.744 10 0 GHAERN CCO[C@@H]1C[C@](NCc2ncc(-c3ccccc3Cl)o2)(C(=O)OC)C1(C)C ZINC000189825455 884015156 /nfs/dbraw/zinc/01/51/56/884015156.db2.gz JZVLLUIHKLULGE-UZLBHIALSA-N 0 0 392.883 3.831 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000189901876 884021716 /nfs/dbraw/zinc/02/17/16/884021716.db2.gz DLBVZUXPIORBPA-RBUKOAKNSA-N 0 0 394.450 3.780 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C3CC3)cc2)c2ccc(F)cc2C1 ZINC000190007990 884042732 /nfs/dbraw/zinc/04/27/32/884042732.db2.gz IUORDZDRPKMQRF-QFIPXVFZSA-N 0 0 395.478 3.996 10 0 GHAERN COc1ccc2sc(C(=O)N3C[C@@H](OC)C[C@H]3c3nc(C)no3)c(C)c2c1 ZINC000190018712 884044146 /nfs/dbraw/zinc/04/41/46/884044146.db2.gz XJAFMPVHPNBJII-ZFWWWQNUSA-N 0 0 387.461 3.512 10 0 GHAERN CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000190273263 884062751 /nfs/dbraw/zinc/06/27/51/884062751.db2.gz LCZOPZZDCPJHKY-HNNXBMFYSA-N 0 0 393.455 3.778 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190364222 884071528 /nfs/dbraw/zinc/07/15/28/884071528.db2.gz DVLIQTAWEWFHOI-DZKIICNBSA-N 0 0 379.501 3.930 10 0 GHAERN CCN(CC)c1ccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)cn1 ZINC000190915558 884131764 /nfs/dbraw/zinc/13/17/64/884131764.db2.gz ZXFLQUCXNKLWBG-UHFFFAOYSA-N 0 0 394.519 3.706 10 0 GHAERN O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191199260 884158098 /nfs/dbraw/zinc/15/80/98/884158098.db2.gz DBNLEWRWKOIIDR-HNNXBMFYSA-N 0 0 382.410 3.686 10 0 GHAERN O=C(NCc1ccc(C2CC2)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000191607392 884191380 /nfs/dbraw/zinc/19/13/80/884191380.db2.gz YSSYBIYXTUARSE-LJQANCHMSA-N 0 0 375.476 3.696 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000192182387 884244899 /nfs/dbraw/zinc/24/48/99/884244899.db2.gz HZDKXCMGAPLUCC-UHFFFAOYSA-N 0 0 398.251 3.556 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000192286864 884248828 /nfs/dbraw/zinc/24/88/28/884248828.db2.gz ORTIJSPATZGWRW-INIZCTEOSA-N 0 0 393.487 3.540 10 0 GHAERN COCc1ccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000192547294 884279776 /nfs/dbraw/zinc/27/97/76/884279776.db2.gz ZSJWFLZEIZIGRY-FQEVSTJZSA-N 0 0 385.439 3.587 10 0 GHAERN CCCNc1ccc(CNC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000192586485 884282945 /nfs/dbraw/zinc/28/29/45/884282945.db2.gz IZRLVEKRUKWPLM-LJQANCHMSA-N 0 0 378.480 3.524 10 0 GHAERN CCCNc1ccc(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000193030074 884320926 /nfs/dbraw/zinc/32/09/26/884320926.db2.gz JZEIUYCSHLKTNP-CYBMUJFWSA-N 0 0 380.414 3.672 10 0 GHAERN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)N1CC=C(c2ccccc2)CC1 ZINC000193238601 884332010 /nfs/dbraw/zinc/33/20/10/884332010.db2.gz LYKHUGLUZWSCOI-UHFFFAOYSA-N 0 0 397.500 3.548 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCSc2c(F)cccc21 ZINC000193250472 884333733 /nfs/dbraw/zinc/33/37/33/884333733.db2.gz CEYBTAOKXRYZPY-SUMWQHHRSA-N 0 0 385.464 3.788 10 0 GHAERN CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CCCO[C@H]1c1ccccc1)C2 ZINC000193406604 884350759 /nfs/dbraw/zinc/35/07/59/884350759.db2.gz IDHDPWPJNIAFQO-IRLDBZIGSA-N 0 0 378.472 3.698 10 0 GHAERN CCc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2C)n[nH]1 ZINC000102785108 884453754 /nfs/dbraw/zinc/45/37/54/884453754.db2.gz RNWAYIOIHASAEM-UHFFFAOYSA-N 0 0 398.488 3.642 10 0 GHAERN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc2ncccc21 ZINC000102860203 884575691 /nfs/dbraw/zinc/57/56/91/884575691.db2.gz CSLYBJCQZCVQPI-LJQANCHMSA-N 0 0 389.499 3.598 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)c3ccc(C)c(NC(C)=O)c3)n2)c1 ZINC000102910875 884630849 /nfs/dbraw/zinc/63/08/49/884630849.db2.gz JNMFNTTUQBKIGH-UHFFFAOYSA-N 0 0 382.445 3.733 10 0 GHAERN O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000105369889 884767669 /nfs/dbraw/zinc/76/76/69/884767669.db2.gz ABTVKZFUHDJVGV-QHCPKHFHSA-N 0 0 399.450 3.760 10 0 GHAERN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)cc1C(N)=O ZINC000105372552 884776314 /nfs/dbraw/zinc/77/63/14/884776314.db2.gz FWOSCAVRRLGNBM-QFIPXVFZSA-N 0 0 385.467 3.836 10 0 GHAERN Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000105370950 884776705 /nfs/dbraw/zinc/77/67/05/884776705.db2.gz LSCCINVSWNJUKT-JOCHJYFZSA-N 0 0 385.467 3.836 10 0 GHAERN COc1ccc(Br)c(C(=O)N(C)CCc2ccccc2OC)c1 ZINC000104456700 885453452 /nfs/dbraw/zinc/45/34/52/885453452.db2.gz IKCXZZLWWJZKBF-UHFFFAOYSA-N 0 0 378.266 3.781 10 0 GHAERN CC(C)CC(=O)N1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 ZINC000103181532 885987099 /nfs/dbraw/zinc/98/70/99/885987099.db2.gz YBEKDIKCQLOYJN-QFIPXVFZSA-N 0 0 394.519 3.507 10 0 GHAERN O=C(Cc1ccccc1C(F)(F)F)N1CCC(c2nnc3ccccn32)CC1 ZINC000104210921 886001019 /nfs/dbraw/zinc/00/10/19/886001019.db2.gz ONWHSFRUDJGREL-UHFFFAOYSA-N 0 0 388.393 3.697 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000105095426 886011302 /nfs/dbraw/zinc/01/13/02/886011302.db2.gz LKVFIAMDTZUCDA-HXUWFJFHSA-N 0 0 396.466 3.541 10 0 GHAERN CCCCN(C)c1ccc(NC(=O)NC2CCN(c3ncccn3)CC2)cc1 ZINC000107384989 886049350 /nfs/dbraw/zinc/04/93/50/886049350.db2.gz MFZWFHRUUCLMFW-UHFFFAOYSA-N 0 0 382.512 3.503 10 0 GHAERN Cc1ccc(NC(=O)[C@@H](C)N2CCCN(C(=O)c3cccs3)CC2)c(C)c1 ZINC000112351670 886258787 /nfs/dbraw/zinc/25/87/87/886258787.db2.gz RMPRWODBOKSRID-QGZVFWFLSA-N 0 0 385.533 3.540 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000112394549 886261675 /nfs/dbraw/zinc/26/16/75/886261675.db2.gz NDQYINYMJJUXHJ-UHFFFAOYSA-N 0 0 399.903 3.938 10 0 GHAERN O=C(CCOCC(F)(F)F)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113217165 886286748 /nfs/dbraw/zinc/28/67/48/886286748.db2.gz YNDPACXAEYSKRV-OAHLLOKOSA-N 0 0 381.398 3.752 10 0 GHAERN CC(=O)Nc1cccc(CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c1 ZINC000032360312 886317933 /nfs/dbraw/zinc/31/79/33/886317933.db2.gz OJFFESIBXZDLMF-UHFFFAOYSA-N 0 0 381.407 3.688 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2CCN2CCC[C@H]2c2noc(C(C)C)n2)no1 ZINC000114717038 886324264 /nfs/dbraw/zinc/32/42/64/886324264.db2.gz PQRQSIFGLIADEG-IYBDPMFKSA-N 0 0 388.516 3.673 10 0 GHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000117636042 886389951 /nfs/dbraw/zinc/38/99/51/886389951.db2.gz CCRXIBYADMGVCT-YCRPNKLZSA-N 0 0 387.439 3.515 10 0 GHAERN Cc1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cnn1-c1ccccc1 ZINC000120056130 886496002 /nfs/dbraw/zinc/49/60/02/886496002.db2.gz IDYMCCZOJCVGRQ-SFHVURJKSA-N 0 0 378.457 3.622 10 0 GHAERN C[C@H](NC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O)c1ccc(-c2ccccc2)cc1 ZINC000332806683 886548995 /nfs/dbraw/zinc/54/89/95/886548995.db2.gz ATPNEAPVNREOSL-VAFVZNMKSA-N 0 0 394.515 3.986 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000332911750 886561288 /nfs/dbraw/zinc/56/12/88/886561288.db2.gz YREGCXQZBSZCIE-MSOLQXFVSA-N 0 0 388.899 3.547 10 0 GHAERN COCCn1cc2c(n1)[C@@H](NC(=O)N[C@H]1CCc3cc(Cl)ccc31)CCC2 ZINC000332911753 886561520 /nfs/dbraw/zinc/56/15/20/886561520.db2.gz YREGCXQZBSZCIE-ROUUACIJSA-N 0 0 388.899 3.547 10 0 GHAERN CC(C)c1noc([C@@H](NC(=O)N[C@@H](C)c2cccs2)C2CCOCC2)n1 ZINC000333004456 886566537 /nfs/dbraw/zinc/56/65/37/886566537.db2.gz LVXLUOJDCIRFJD-WFASDCNBSA-N 0 0 378.498 3.783 10 0 GHAERN Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N1CCCC[C@@H]1c1ncon1 ZINC000123759355 886669628 /nfs/dbraw/zinc/66/96/28/886669628.db2.gz LPRWUGVCEINGRS-MVGZEHJDSA-N 0 0 377.876 3.651 10 0 GHAERN CCOCCC1(CNC(=O)N[C@H](c2noc(C)n2)c2ccccc2F)CCC1 ZINC000124684115 886783836 /nfs/dbraw/zinc/78/38/36/886783836.db2.gz HQBAHECIHULWGX-KRWDZBQOSA-N 0 0 390.459 3.503 10 0 GHAERN O=C(Nc1cccn(CC(F)(F)F)c1=O)N1CC=C(c2ccccc2F)CC1 ZINC000125861872 886907162 /nfs/dbraw/zinc/90/71/62/886907162.db2.gz RGKGHVMHIZIIIS-UHFFFAOYSA-N 0 0 395.356 3.871 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3sccc3NC(=O)c3ccncc3)CCO2)o1 ZINC000127089560 887029288 /nfs/dbraw/zinc/02/92/88/887029288.db2.gz RIUFYHJNWFBHCS-KRWDZBQOSA-N 0 0 397.456 3.511 10 0 GHAERN O=C(CCc1nc(-c2cccnc2)no1)NCCSc1ccc(Cl)cc1 ZINC000046434288 887195674 /nfs/dbraw/zinc/19/56/74/887195674.db2.gz CYGIDLVRKGMKOQ-UHFFFAOYSA-N 0 0 388.880 3.626 10 0 GHAERN Cc1ccc(C)c(OCCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c1 ZINC000046592639 887207505 /nfs/dbraw/zinc/20/75/05/887207505.db2.gz RVPVWEVFBZDDIL-UHFFFAOYSA-N 0 0 398.478 3.632 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CCc2cccc(OC(C)(C)C)n2)c2ccccc2)[nH]1 ZINC000130301668 887415077 /nfs/dbraw/zinc/41/50/77/887415077.db2.gz NPKGXRUTSZQGOT-FQEVSTJZSA-N 0 0 393.491 3.524 10 0 GHAERN Cc1cc(C(=O)NC2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)c(C)o1 ZINC000131204523 887519074 /nfs/dbraw/zinc/51/90/74/887519074.db2.gz ZZUCHLNEFWACOC-SFTDATJTSA-N 0 0 380.488 3.729 10 0 GHAERN CNC(=O)c1ccc(Cl)c(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000131647288 887561875 /nfs/dbraw/zinc/56/18/75/887561875.db2.gz GQJJHECLAKFUIB-UHFFFAOYSA-N 0 0 392.912 3.552 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)CCO2)o1 ZINC000133744193 887795647 /nfs/dbraw/zinc/79/56/47/887795647.db2.gz KNHZYUQPSNKEEN-GOSISDBHSA-N 0 0 399.422 3.618 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000134291900 887849103 /nfs/dbraw/zinc/84/91/03/887849103.db2.gz RHBPPCINMGEVQF-MLGOLLRUSA-N 0 0 389.908 3.874 10 0 GHAERN CCCc1sc(C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1CC ZINC000134311120 887859179 /nfs/dbraw/zinc/85/91/79/887859179.db2.gz YDBMTBRFCYYPLF-MAUKXSAKSA-N 0 0 375.538 3.582 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000134333845 887860502 /nfs/dbraw/zinc/86/05/02/887860502.db2.gz YKMSMERWCGTFHH-ZFWWWQNUSA-N 0 0 399.438 3.618 10 0 GHAERN COc1ccc2sc(C(=O)N3CCC[C@@H]([C@H](O)c4nccn4C)C3)c(C)c2c1 ZINC000134345275 887862328 /nfs/dbraw/zinc/86/23/28/887862328.db2.gz GXDCTMISHCFXQM-KDOFPFPSSA-N 0 0 399.516 3.538 10 0 GHAERN O=C([C@@H]1CCCc2n[nH]cc21)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000134350544 887862560 /nfs/dbraw/zinc/86/25/60/887862560.db2.gz DQMIQFQDLWPVHC-IAGOWNOFSA-N 0 0 375.476 3.626 10 0 GHAERN O=C(NC1CCN(C(=O)c2ccccc2)CC1)C1=Cc2cc(Cl)ccc2OC1 ZINC000053393436 887956576 /nfs/dbraw/zinc/95/65/76/887956576.db2.gz NDZHKIDAEGVYST-UHFFFAOYSA-N 0 0 396.874 3.537 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1OCC(F)F ZINC000137323293 888347923 /nfs/dbraw/zinc/34/79/23/888347923.db2.gz BAWARGFVFHSIEB-INIZCTEOSA-N 0 0 377.391 3.719 10 0 GHAERN CN1CC[C@H](CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc21 ZINC000057248169 888394055 /nfs/dbraw/zinc/39/40/55/888394055.db2.gz WLRGCIHBRJSYKL-QGZVFWFLSA-N 0 0 382.479 3.614 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CCC(=O)c2cc(C)ccc2C)c2ccccc2)[nH]1 ZINC000057798298 888413829 /nfs/dbraw/zinc/41/38/29/888413829.db2.gz KYFMSMLQHFXWFB-NRFANRHFSA-N 0 0 376.460 3.599 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccoc3Br)C2)c1 ZINC000193681400 888516994 /nfs/dbraw/zinc/51/69/94/888516994.db2.gz BLLBPHYNHAOVKG-LLVKDONJSA-N 0 0 380.238 3.689 10 0 GHAERN COc1cc(Br)c(NC(=O)[C@@H]2CCCc3cccnc32)cc1OC ZINC000194123852 888559442 /nfs/dbraw/zinc/55/94/42/888559442.db2.gz INCULTJHOPQBOL-GFCCVEGCSA-N 0 0 391.265 3.920 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc(Cl)nc2C)c2ccc(F)cc2C1 ZINC000194629075 888600127 /nfs/dbraw/zinc/60/01/27/888600127.db2.gz KWRAGBQZXCLKEA-KRWDZBQOSA-N 0 0 390.846 3.798 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000194851755 888625561 /nfs/dbraw/zinc/62/55/61/888625561.db2.gz FDNGCYOWQSYZIM-AZUAARDMSA-N 0 0 383.492 3.783 10 0 GHAERN O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000194868915 888627200 /nfs/dbraw/zinc/62/72/00/888627200.db2.gz PMYSYUGYVUJTCO-WOJBJXKFSA-N 0 0 398.528 3.591 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)[C@H]3CCCO[C@H]3c3ccccc3)cc2)n1 ZINC000195488718 888670460 /nfs/dbraw/zinc/67/04/60/888670460.db2.gz WQWCQXWNOAQSNR-FPOVZHCZSA-N 0 0 389.455 3.852 10 0 GHAERN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCC(c2ccnn2CCO)CC1 ZINC000195508859 888682989 /nfs/dbraw/zinc/68/29/89/888682989.db2.gz PGUNYBHFTKFUFI-ZWKOTPCHSA-N 0 0 398.551 3.596 10 0 GHAERN COc1cc(CN(C)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1SC ZINC000246236868 890798310 /nfs/dbraw/zinc/79/83/10/890798310.db2.gz XCFYMFMSSBLBEO-BMGDILEWSA-N 0 0 376.522 3.516 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1)Cc1ccc(Cl)cc1 ZINC000246376388 891084864 /nfs/dbraw/zinc/08/48/64/891084864.db2.gz JTVBJDSTOIJWLF-RIFZZMRRSA-N 0 0 389.927 3.614 10 0 GHAERN CC(C)Oc1cccc(/C=C/C(=O)N2CCC(c3nnc4ccccn43)CC2)c1 ZINC000066601567 891124170 /nfs/dbraw/zinc/12/41/70/891124170.db2.gz JHOOXWOESZYEAG-MDZDMXLPSA-N 0 0 390.487 3.936 10 0 GHAERN C[C@H](NC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)c1ccncc1 ZINC000067997637 891166873 /nfs/dbraw/zinc/16/68/73/891166873.db2.gz WDCWGMTYJXPRCH-FZMZJTMJSA-N 0 0 378.259 3.619 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](c3nccs3)C2)c1Br ZINC000068355263 891177241 /nfs/dbraw/zinc/17/72/41/891177241.db2.gz SGPOIWJXRGBGAW-JTQLQIEISA-N 0 0 383.315 3.772 10 0 GHAERN O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N(Cc1ccccc1)CC1CCOCC1 ZINC000246428160 891235900 /nfs/dbraw/zinc/23/59/00/891235900.db2.gz IKUCJKULHFYZBP-NJDAHSKKSA-N 0 0 384.520 3.582 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N(Cc1ccccc1)CC1CCOCC1 ZINC000246428180 891236089 /nfs/dbraw/zinc/23/60/89/891236089.db2.gz IKUCJKULHFYZBP-PWRODBHTSA-N 0 0 384.520 3.582 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436572 891240683 /nfs/dbraw/zinc/24/06/83/891240683.db2.gz DBYGUOYAFMERRZ-HZPDHXFCSA-N 0 0 379.551 3.666 10 0 GHAERN CCC(C)(C)NC(=O)COc1ccccc1C(=O)NCCCc1ccccc1 ZINC000105577617 891244822 /nfs/dbraw/zinc/24/48/22/891244822.db2.gz YRHIXKZNDHLCAP-UHFFFAOYSA-N 0 0 382.504 3.733 10 0 GHAERN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000246489910 891274079 /nfs/dbraw/zinc/27/40/79/891274079.db2.gz MEZBMPQYECIXIV-HWWDLCQESA-N 0 0 376.884 3.659 10 0 GHAERN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC[C@@H](c2nccs2)C1 ZINC000246668260 891296464 /nfs/dbraw/zinc/29/64/64/891296464.db2.gz FNUYYICETMBXMV-HZPDHXFCSA-N 0 0 388.512 3.698 10 0 GHAERN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000246735599 891303094 /nfs/dbraw/zinc/30/30/94/891303094.db2.gz UOKUFTKCTASEKC-JYAXBFRTSA-N 0 0 384.476 3.797 10 0 GHAERN Cc1csc([C@H](NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C2CC2)n1 ZINC000246770225 891305992 /nfs/dbraw/zinc/30/59/92/891305992.db2.gz WMUWGJKQXHDZGZ-ZMSDIMECSA-N 0 0 375.494 3.793 10 0 GHAERN COc1cccc(-c2nc(CN3CCS[C@@H]4COCC[C@H]43)cs2)c1OC ZINC000246887340 891321309 /nfs/dbraw/zinc/32/13/09/891321309.db2.gz LYYXXAOPHNWJMX-NVXWUHKLSA-N 0 0 392.546 3.534 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000247020600 891333717 /nfs/dbraw/zinc/33/37/17/891333717.db2.gz SNEIHOXILZQIFM-DJIMGWMZSA-N 0 0 385.489 3.684 10 0 GHAERN C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247086935 891343718 /nfs/dbraw/zinc/34/37/18/891343718.db2.gz DMGBTGDRCFULJL-GJYPPUQNSA-N 0 0 387.911 3.529 10 0 GHAERN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000247164224 891350309 /nfs/dbraw/zinc/35/03/09/891350309.db2.gz SHPDNSLPTLTFIZ-BUVFEPMLSA-N 0 0 398.478 3.508 10 0 GHAERN CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@H]4OCC[C@H]43)cc2)CC1 ZINC000247386222 891373188 /nfs/dbraw/zinc/37/31/88/891373188.db2.gz LJEOWLLHTYLWEL-XUVXKRRUSA-N 0 0 385.508 3.638 10 0 GHAERN CC1(C)[C@H](NC(=O)c2ccccc2NC(=O)OCc2ccccc2)[C@H]2CCO[C@H]21 ZINC000248440888 891436336 /nfs/dbraw/zinc/43/63/36/891436336.db2.gz JWOMPSNKLXKVFH-MISYRCLQSA-N 0 0 394.471 3.979 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2C[C@H](C)C[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248639968 891450420 /nfs/dbraw/zinc/45/04/20/891450420.db2.gz WXLMPOLQEZHETQ-JZKQVHKSSA-N 0 0 375.488 3.743 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248927146 891481635 /nfs/dbraw/zinc/48/16/35/891481635.db2.gz XIHGADDBUFVHRF-XCJLJZCSSA-N 0 0 384.476 3.797 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)C12CCOCC2 ZINC000332960065 893375091 /nfs/dbraw/zinc/37/50/91/893375091.db2.gz STNMUOMJFKABNG-RRFJBIMHSA-N 0 0 392.462 3.581 10 0 GHAERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000332967274 893386684 /nfs/dbraw/zinc/38/66/84/893386684.db2.gz PWBLCHTVIADKCU-DJXDEVDJSA-N 0 0 379.504 3.914 10 0 GHAERN CN(Cc1ccc(Cl)nc1)C(=O)C1CCC(NC(=O)CC2CCCC2)CC1 ZINC000101635890 897950342 /nfs/dbraw/zinc/95/03/42/897950342.db2.gz LPMZUYBWAGDUDK-UHFFFAOYSA-N 0 0 391.943 3.949 10 0 GHAERN CC(C)c1ccccc1OC[C@H](O)CSc1nnc(-c2cccnc2)n1C ZINC000102635199 898018523 /nfs/dbraw/zinc/01/85/23/898018523.db2.gz DDAWLBBZTHRIAB-INIZCTEOSA-N 0 0 384.505 3.533 10 0 GHAERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000333047297 899919335 /nfs/dbraw/zinc/91/93/35/899919335.db2.gz PQRGQXRCSZMTEZ-WBVHZDCISA-N 0 0 390.871 3.610 10 0 GHAERN CCn1ccnc1[C@@H]1CCCCN1C(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21 ZINC000333255985 901946106 /nfs/dbraw/zinc/94/61/06/901946106.db2.gz LETZEFTYZHWECT-NQIIRXRSSA-N 0 0 394.519 3.887 10 0 GHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)cc1 ZINC000333324497 902008466 /nfs/dbraw/zinc/00/84/66/902008466.db2.gz QJQCMVSOZHZGDT-PMACEKPBSA-N 0 0 389.561 3.873 10 0 GHAERN CC(C)(C)c1ccc2c(c1)CN(C(=O)NCC(C)(C)C1(O)CCOCC1)CC2 ZINC000333399287 902062707 /nfs/dbraw/zinc/06/27/07/902062707.db2.gz PTXMBABNBKZXQP-UHFFFAOYSA-N 0 0 388.552 3.620 10 0 GHAERN O=C(Nc1cc2c(cc1Br)CCC2)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333600607 902215897 /nfs/dbraw/zinc/21/58/97/902215897.db2.gz BYAUJOGOPMUTQY-KKUMJFAQSA-N 0 0 379.298 3.563 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@H]3CCCc4ccc(F)cc43)CCO2)n1 ZINC000282988795 902325804 /nfs/dbraw/zinc/32/58/04/902325804.db2.gz FIWYNKKKHKSMPG-IRXDYDNUSA-N 0 0 375.469 3.751 10 0 GHAERN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333925968 902429431 /nfs/dbraw/zinc/42/94/31/902429431.db2.gz VAQJXYGBNQNKKZ-QKNQBKEWSA-N 0 0 378.472 3.913 10 0 GHAERN Cc1noc(-c2cccnc2N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000334037336 902520386 /nfs/dbraw/zinc/52/03/86/902520386.db2.gz NOILZVLUPCRJBH-CQSZACIVSA-N 0 0 382.386 3.625 10 0 GHAERN CCN(C)C(=O)c1cccc(C(=O)OCc2csc(Br)c2)c1 ZINC000103714227 906038720 /nfs/dbraw/zinc/03/87/20/906038720.db2.gz ZYDUTXKDHJFTDT-UHFFFAOYSA-N 0 0 382.279 3.960 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CCO[C@H](c2nccs2)C1 ZINC000181026398 906901638 /nfs/dbraw/zinc/90/16/38/906901638.db2.gz ZUVOALPOIFEACL-ZBFHGGJFSA-N 0 0 393.896 3.793 10 0 GHAERN O=C(CCOc1ccccc1-c1ccccc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181358221 906982205 /nfs/dbraw/zinc/98/22/05/906982205.db2.gz UVLZLXTZTSFSHO-LJQANCHMSA-N 0 0 376.460 3.994 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC(F)(F)F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000185420294 907770525 /nfs/dbraw/zinc/77/05/25/907770525.db2.gz ZWGIBDIGBQLEFA-GFCCVEGCSA-N 0 0 387.337 3.644 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC000186972960 908013009 /nfs/dbraw/zinc/01/30/09/908013009.db2.gz DYHLXSNWFGRIDO-AWEZNQCLSA-N 0 0 382.530 3.601 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2nn(CC(C)C)c(=O)c3ccccc32)cs1 ZINC000187096641 908035962 /nfs/dbraw/zinc/03/59/62/908035962.db2.gz RQPAKTCBQSFQMJ-SFHVURJKSA-N 0 0 396.516 3.795 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)C1 ZINC000189125836 908286626 /nfs/dbraw/zinc/28/66/26/908286626.db2.gz WYPIRJQGEVYRNA-FPTDEYDUSA-N 0 0 398.850 3.581 10 0 GHAERN Cc1ncc(-c2ccc(NC(=O)C(=O)N3CCC[C@H]3c3csc(C)n3)cc2)o1 ZINC000189448013 908324247 /nfs/dbraw/zinc/32/42/47/908324247.db2.gz INTPODFESARGTB-KRWDZBQOSA-N 0 0 396.472 3.717 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)Cc2cccc3ccccc32)cs1 ZINC000190009640 908402649 /nfs/dbraw/zinc/40/26/49/908402649.db2.gz MMHJGAAHJPTTKD-FQEVSTJZSA-N 0 0 393.512 3.627 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000190025272 908406995 /nfs/dbraw/zinc/40/69/95/908406995.db2.gz QGNGRLQSSNYYSR-WMZOPIPTSA-N 0 0 379.416 3.773 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCOc2cccc3ccccc32)C1 ZINC000190056432 908414543 /nfs/dbraw/zinc/41/45/43/908414543.db2.gz ZQFURXDLWYUTIY-HKUYNNGSSA-N 0 0 395.459 3.679 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)C1 ZINC000190059000 908416054 /nfs/dbraw/zinc/41/60/54/908416054.db2.gz MZXURNJIGAAJKJ-VHPWJVAPSA-N 0 0 394.475 3.586 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000190077839 908420704 /nfs/dbraw/zinc/42/07/04/908420704.db2.gz IXQWWDFADQAUAD-TZIWHRDSSA-N 0 0 391.471 3.889 10 0 GHAERN CCCOc1ccc(NC(=O)N2C[C@H](OC)C[C@H]2c2nc(C)no2)cc1Cl ZINC000190121925 908430976 /nfs/dbraw/zinc/43/09/76/908430976.db2.gz RBYZHJQMQMDYMS-HIFRSBDPSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(OCCC(C)C)c2)C1 ZINC000190125842 908432664 /nfs/dbraw/zinc/43/26/64/908432664.db2.gz MVBMIDANELWWME-MSOLQXFVSA-N 0 0 388.468 3.797 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(SC)c(Cl)c2)C1 ZINC000190132773 908434158 /nfs/dbraw/zinc/43/41/58/908434158.db2.gz DEWKBCKKLSWPGH-YPMHNXCESA-N 0 0 382.873 3.747 10 0 GHAERN O=C(Nc1cc(F)cc(F)c1Br)N1CCCC[C@H]1c1nc[nH]n1 ZINC000190613417 908508814 /nfs/dbraw/zinc/50/88/14/908508814.db2.gz LQNDAADCHUMGKF-NSHDSACASA-N 0 0 386.200 3.605 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCc4cc(Cl)ccc43)CCO2)n1 ZINC000194085093 908913834 /nfs/dbraw/zinc/91/38/34/908913834.db2.gz YRIYNBZRTZXFLU-CVEARBPZSA-N 0 0 377.897 3.875 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CCO2)n1 ZINC000194072486 908914226 /nfs/dbraw/zinc/91/42/26/908914226.db2.gz HKRMDPOTLFQJMR-HUUCEWRRSA-N 0 0 393.509 3.911 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCOc4cc(F)ccc43)CCO2)n1 ZINC000194349403 908937955 /nfs/dbraw/zinc/93/79/55/908937955.db2.gz WQPPNPKADCUARX-DOTOQJQBSA-N 0 0 391.468 3.587 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cnc3ccc(F)cc3c1)CCCC2 ZINC000284564025 911928407 /nfs/dbraw/zinc/92/84/07/911928407.db2.gz IRTDXXKGYNTMFH-HXUWFJFHSA-N 0 0 378.451 3.964 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1cc3c([nH]c1=O)CCCCC3)CCCC2 ZINC000284633083 911961458 /nfs/dbraw/zinc/96/14/58/911961458.db2.gz OBMVQDDZVYTQFH-HXUWFJFHSA-N 0 0 394.519 3.646 10 0 GHAERN CN(C)C(=O)c1cc(N[C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)ccc1F ZINC000367368392 922066904 /nfs/dbraw/zinc/06/69/04/922066904.db2.gz SUKHAEIZYLQJJC-RTWAWAEBSA-N 0 0 395.478 3.618 10 0 GHAERN CC(C)N(C(=O)c1ccc(-c2ncn(C)n2)cc1)[C@H]1CCCc2cccnc21 ZINC000368480709 922703253 /nfs/dbraw/zinc/70/32/53/922703253.db2.gz CBCCXRVUZJXDMS-IBGZPJMESA-N 0 0 375.476 3.805 10 0 GHAERN O=C(Nc1ccc(Br)cc1F)N1CCCN(c2ccccn2)CC1 ZINC000184025551 1014570498 /nfs/dbraw/zinc/57/04/98/1014570498.db2.gz KJCYFSVJFLJGEH-UHFFFAOYSA-N 0 0 393.260 3.727 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000185252275 1014577098 /nfs/dbraw/zinc/57/70/98/1014577098.db2.gz DKUOGMQQEFOPNW-FCHUYYIVSA-N 0 0 395.478 3.948 10 0 GHAERN CCO[C@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185527515 1014585128 /nfs/dbraw/zinc/58/51/28/1014585128.db2.gz KULRPNCXGQSCOR-SFTDATJTSA-N 0 0 384.451 3.513 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)/C=C(\C)c2ccc(F)cc2)c2ccc(F)cc2C1 ZINC000185528051 1014585354 /nfs/dbraw/zinc/58/53/54/1014585354.db2.gz NDUZYFXFFIXSFX-QGFLDLQWSA-N 0 0 384.426 3.978 10 0 GHAERN CC(=C/c1ccccc1)/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O ZINC000001249430 212232307 /nfs/dbraw/zinc/23/23/07/212232307.db2.gz JWKNOIAQZANLBH-RQGFIEOQSA-N 0 0 396.493 3.885 10 0 GHAERN O=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 ZINC000034684114 212160242 /nfs/dbraw/zinc/16/02/42/212160242.db2.gz UMDSMKTUWPAMSK-UHFFFAOYSA-N 0 0 389.499 3.527 10 0 GHAERN OCc1c[nH]c2cccc(Sc3ccc(I)cn3)c12 ZINC000090727352 212151891 /nfs/dbraw/zinc/15/18/91/212151891.db2.gz URMXJQLDRPWDIZ-UHFFFAOYSA-N 0 0 382.226 3.811 10 0 GHAERN O=C(Cc1ccc2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000334161379 212107141 /nfs/dbraw/zinc/10/71/41/212107141.db2.gz AVYAMKFAULFYHC-GOSISDBHSA-N 0 0 377.444 3.630 10 0 GHAERN O=C(Nc1ccc2c(c1)OCCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000006771316 220959748 /nfs/dbraw/zinc/95/97/48/220959748.db2.gz XGJGAEMQZKXSPJ-UHFFFAOYSA-N 0 0 392.455 3.999 10 0 GHAERN CC[C@H](C(=O)Nc1ccc(F)cc1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O ZINC000006803386 220963888 /nfs/dbraw/zinc/96/38/88/220963888.db2.gz RWSVCXKNJBEXET-GOSISDBHSA-N 0 0 392.434 3.995 10 0 GHAERN Cc1cccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)c1 ZINC000009683209 221088354 /nfs/dbraw/zinc/08/83/54/221088354.db2.gz QWFWGMRMWPDCPK-UHFFFAOYSA-N 0 0 378.453 3.918 10 0 GHAERN CC[C@@H]1c2cccn2CCN1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840066 221130852 /nfs/dbraw/zinc/13/08/52/221130852.db2.gz HZRHHRNMCJBWDV-GOSISDBHSA-N 0 0 378.476 3.627 10 0 GHAERN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000011843339 221132864 /nfs/dbraw/zinc/13/28/64/221132864.db2.gz ZYUSYSXZRURRDZ-GOSISDBHSA-N 0 0 382.460 3.550 10 0 GHAERN Cc1ccn(CCC(=O)N2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)n1 ZINC000011972519 221140290 /nfs/dbraw/zinc/14/02/90/221140290.db2.gz QAZURIDWVPKRFQ-HSZRJFAPSA-N 0 0 397.519 3.617 10 0 GHAERN C[C@@H]1CN(Cc2ccc(Sc3nncn3C)o2)Cc2cc(Cl)ccc2O1 ZINC000012080096 221147894 /nfs/dbraw/zinc/14/78/94/221147894.db2.gz QRBAVCFZFOJPLB-GFCCVEGCSA-N 0 0 390.896 3.996 10 0 GHAERN O=C(C1CCC1)N(Cc1cccc(OC[C@H]2CCOC2)c1)Cc1ccccn1 ZINC000011913310 221136274 /nfs/dbraw/zinc/13/62/74/221136274.db2.gz LIQAYXHXGNGNDU-IBGZPJMESA-N 0 0 380.488 3.826 10 0 GHAERN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC5(CC[C@@]43C)OCCO5)[C@@H]1CCC21OCCO1 ZINC000013466840 221268743 /nfs/dbraw/zinc/26/87/43/221268743.db2.gz QPCQTXLITUSAHG-WJRACZLCSA-N 0 0 388.504 3.614 10 0 GHAERN Cc1oc(-c2ccccc2NC(=O)[C@H]2CCCO2)nc1CNC(=O)CCC(C)C ZINC000014882240 221317990 /nfs/dbraw/zinc/31/79/90/221317990.db2.gz QQWQFTMQOKAMIG-LJQANCHMSA-N 0 0 399.491 3.820 10 0 GHAERN O=C(NCCc1cccs1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015774087 221344927 /nfs/dbraw/zinc/34/49/27/221344927.db2.gz UVQGQLQRETUUSL-HXUWFJFHSA-N 0 0 376.481 3.679 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 ZINC000015920762 221352162 /nfs/dbraw/zinc/35/21/62/221352162.db2.gz RMCRNDHNTDPWCG-OAQYLSRUSA-N 0 0 377.444 3.667 10 0 GHAERN CC(C)N1C[C@H](C(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1=O ZINC000020370544 221483088 /nfs/dbraw/zinc/48/30/88/221483088.db2.gz LIZXTYXIWLRMRN-GOSISDBHSA-N 0 0 399.535 3.725 10 0 GHAERN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2ccccc2)C2CC2)c1C ZINC000035993300 221837480 /nfs/dbraw/zinc/83/74/80/221837480.db2.gz IRZHOIBQKJVDHE-HNNXBMFYSA-N 0 0 382.460 3.684 10 0 GHAERN CCN(C)C(=O)[C@@H]1CN(C(=O)NC(C)(C)C)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000040400161 221922117 /nfs/dbraw/zinc/92/21/17/221922117.db2.gz DAIVFSBHFKJROG-HZPDHXFCSA-N 0 0 399.457 3.707 10 0 GHAERN CCc1ccc(C(=O)N2CCc3cc(S(=O)(=O)NC4CCCC4)ccc32)cc1 ZINC000040838582 221931824 /nfs/dbraw/zinc/93/18/24/221931824.db2.gz MTHXJTRUAIONSS-UHFFFAOYSA-N 0 0 398.528 3.673 10 0 GHAERN O=C(NC1CC1)c1ccnc(N2CCC(c3n[nH]cc3-c3ccccc3)CC2)c1 ZINC000067869141 222165351 /nfs/dbraw/zinc/16/53/51/222165351.db2.gz PFGXBLQTJRVJJP-UHFFFAOYSA-N 0 0 387.487 3.748 10 0 GHAERN CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccccc2nc1NC1CC1 ZINC000095075466 222328711 /nfs/dbraw/zinc/32/87/11/222328711.db2.gz MCNYPOAUJORFAO-HNNXBMFYSA-N 0 0 397.523 3.897 10 0 GHAERN CSc1nc(Cl)cc(N(C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000095076646 222329136 /nfs/dbraw/zinc/32/91/36/222329136.db2.gz QTWSOIIJBOZODU-LBPRGKRZSA-N 0 0 386.949 3.935 10 0 GHAERN CC(=O)c1cc(I)cc(CCNC(=O)OC(C)(C)C)c1 ZINC000095764820 222359531 /nfs/dbraw/zinc/35/95/31/222359531.db2.gz BSIIVKWUSRNHMG-UHFFFAOYSA-N 0 0 389.233 3.561 10 0 GHAERN COc1cc2c(cc1OCc1ccccc1)ncn(COC(=O)C(C)(C)C)c2=O ZINC000095931368 222361180 /nfs/dbraw/zinc/36/11/80/222361180.db2.gz KWCVUWUJDCWGGM-UHFFFAOYSA-N 0 0 396.443 3.531 10 0 GHAERN CN1c2c(ccc3cc4c(cc32)OCO4)-c2ccc3c(c2[C@@H]1CCO)OCO3 ZINC000000900892 560179753 /nfs/dbraw/zinc/17/97/53/560179753.db2.gz GSEHWAORUDPHTL-INIZCTEOSA-N 0 0 377.396 3.838 10 0 in-vitro GHAERN Cc1cccnc1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2cc(F)ccc21 ZINC000020538817 570266310 /nfs/dbraw/zinc/26/63/10/570266310.db2.gz RYOCQTYLBQUOFI-UHFFFAOYSA-N 0 0 389.434 3.750 10 0 GHAERN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1 ZINC000004903065 570360600 /nfs/dbraw/zinc/36/06/00/570360600.db2.gz DOZNZKXDSPYFNF-QHCPKHFHSA-N 0 0 384.479 3.785 10 0 GHAERN C[C@H]1CCCC[C@@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000004575607 570385696 /nfs/dbraw/zinc/38/56/96/570385696.db2.gz SJSJFFFPGAOERB-LZFQIVBZSA-N 0 0 379.460 3.579 10 0 GHAERN Cc1oc(-c2ccccc2C)nc1C[S@@](=O)CC(=O)NCc1ccc(C)cc1 ZINC000005058144 570408059 /nfs/dbraw/zinc/40/80/59/570408059.db2.gz NNEUPUVAEKMORR-NDEPHWFRSA-N 0 0 396.512 3.832 10 0 GHAERN COc1ccc(OC[C@H](O)CN(Cc2cccn2C)Cc2ccc(F)cc2)cc1 ZINC000036099081 570537071 /nfs/dbraw/zinc/53/70/71/570537071.db2.gz ZHFPGSWMDSFSCH-OAQYLSRUSA-N 0 0 398.478 3.615 10 0 GHAERN CCc1nnc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)s1 ZINC000006940136 570713396 /nfs/dbraw/zinc/71/33/96/570713396.db2.gz KXNDMVNMALNHEC-UHFFFAOYSA-N 0 0 396.451 3.777 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)NCCCc3nc4ccccc4[nH]3)c2)no1 ZINC000105020029 837499262 /nfs/dbraw/zinc/49/92/62/837499262.db2.gz QVDAIYTXRQVYOS-UHFFFAOYSA-N 0 0 376.420 3.676 10 0 GHAERN COc1ccc(NC(=O)[C@@H](C)N2CCC(c3nc(C)cs3)CC2)cc1OC ZINC000156708787 834520972 /nfs/dbraw/zinc/52/09/72/834520972.db2.gz QCJTUXNGVJZNAF-CQSZACIVSA-N 0 0 389.521 3.675 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067061530 834706852 /nfs/dbraw/zinc/70/68/52/834706852.db2.gz HHTLDNFQQGOTML-ROUUACIJSA-N 0 0 380.444 3.828 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000198527203 834856051 /nfs/dbraw/zinc/85/60/51/834856051.db2.gz GJXCOHKDANGWNI-UHFFFAOYSA-N 0 0 389.546 3.736 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000588581866 834984998 /nfs/dbraw/zinc/98/49/98/834984998.db2.gz KMRGIQBNZBIWEW-FYVKXAJJSA-N 0 0 377.271 3.827 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCc2cc(Br)ccc2C1 ZINC000588582231 835010017 /nfs/dbraw/zinc/01/00/17/835010017.db2.gz OCZPBXUEQREGEZ-FPLPWBNLSA-N 0 0 394.272 3.990 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC[C@H]1c1nccs1 ZINC000329473018 835102252 /nfs/dbraw/zinc/10/22/52/835102252.db2.gz SLEORBRHNCSFSV-WBMJQRKESA-N 0 0 391.443 3.528 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CCc3c[nH]c4c3cccc4C)CC2)nc1 ZINC000157877068 835134214 /nfs/dbraw/zinc/13/42/14/835134214.db2.gz NBQSRVACICIVQW-UHFFFAOYSA-N 0 0 376.504 3.898 10 0 GHAERN Cc1ccc(NC(=O)N2CCC(Cc3nccn3C)CC2)cc1OC(F)F ZINC000158065727 835207959 /nfs/dbraw/zinc/20/79/59/835207959.db2.gz GDYDJCLVTVBZLI-UHFFFAOYSA-N 0 0 378.423 3.817 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000158337450 835332710 /nfs/dbraw/zinc/33/27/10/835332710.db2.gz FWYNKVCSZMYGRI-IEBWSBKVSA-N 0 0 379.485 3.989 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc(-n4cncn4)cc3)C2)n1 ZINC000329611160 835378000 /nfs/dbraw/zinc/37/80/00/835378000.db2.gz DFMRBUIOIONVIV-MRXNPFEDSA-N 0 0 381.505 3.867 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)c3ccc4c(c3)COC4)C2)n1 ZINC000329624171 835458694 /nfs/dbraw/zinc/45/86/94/835458694.db2.gz OEDKQXCSXXOWFV-CQSZACIVSA-N 0 0 392.546 3.865 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)nc4c3c(C)nn4C)C2)sc1C ZINC000329634721 835480723 /nfs/dbraw/zinc/48/07/23/835480723.db2.gz XHMNVPVHGCAFII-OAHLLOKOSA-N 0 0 383.521 3.678 10 0 GHAERN COc1cccc(Oc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cc2)c1 ZINC000101748355 835564794 /nfs/dbraw/zinc/56/47/94/835564794.db2.gz DTOYRPIEUYDNPF-UHFFFAOYSA-N 0 0 393.447 3.948 10 0 GHAERN C[C@@H]1CCc2c(sc3nc(CN4CC[C@]5(O)CCCC[C@H]5C4)nc(N)c23)C1 ZINC000245542268 844080525 /nfs/dbraw/zinc/08/05/25/844080525.db2.gz RESGSHDMCVBQNQ-HKZYLEAXSA-N 0 0 386.565 3.525 10 0 GHAERN Cc1nc(CC(C)C)c(NC(=O)N2CCC(Cc3nccn3C)CC2)s1 ZINC000159105400 835728814 /nfs/dbraw/zinc/72/88/14/835728814.db2.gz IXEHNJYRCDDXDU-UHFFFAOYSA-N 0 0 375.542 3.870 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000332734436 836510172 /nfs/dbraw/zinc/51/01/72/836510172.db2.gz ZPQZFHYCWCZWDP-HOJAQTOUSA-N 0 0 386.536 3.567 10 0 GHAERN COC[C@H]1CN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC(C)(C)O1 ZINC000332815469 836685947 /nfs/dbraw/zinc/68/59/47/836685947.db2.gz XJZCJAIOEVUNDX-SJLPKXTDSA-N 0 0 388.508 3.658 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000102567529 837198482 /nfs/dbraw/zinc/19/84/82/837198482.db2.gz XFEFGQASYOSHQF-UHFFFAOYSA-N 0 0 394.406 3.730 10 0 GHAERN CN(C)C(=O)Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000103315471 837302386 /nfs/dbraw/zinc/30/23/86/837302386.db2.gz LCFMAIPWVBCOGY-QFIPXVFZSA-N 0 0 388.471 3.623 10 0 GHAERN Cn1c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCC[C@H]3O)cc2nc1C(F)F ZINC000407965522 838270981 /nfs/dbraw/zinc/27/09/81/838270981.db2.gz VXZNMTIIEUAKEP-FRFSOERESA-N 0 0 377.435 3.667 10 0 GHAERN Cc1cc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)[nH]n1 ZINC000407976158 838362636 /nfs/dbraw/zinc/36/26/36/838362636.db2.gz JOMPONDDHUXXCV-VIFPVBQESA-N 0 0 380.322 3.655 10 0 GHAERN CCCN(C(=O)C[C@H](O)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000179778708 838439915 /nfs/dbraw/zinc/43/99/15/838439915.db2.gz GQJNXOGQFGKDIT-QFIPXVFZSA-N 0 0 394.515 3.654 10 0 GHAERN CN(C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CCCc2c1cnn2C ZINC000179926266 838472667 /nfs/dbraw/zinc/47/26/67/838472667.db2.gz HBGLJRRTIXWRJW-ZIFCJYIRSA-N 0 0 388.899 3.623 10 0 GHAERN Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000408028206 838693867 /nfs/dbraw/zinc/69/38/67/838693867.db2.gz RAGQQXJVCQAXLS-QGZVFWFLSA-N 0 0 393.940 3.787 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)N[C@@H](C)C(C)(C)c3ccccc3)C2)n1 ZINC000117044971 839538707 /nfs/dbraw/zinc/53/87/07/839538707.db2.gz DADDZUFCBUDWGH-LPHOPBHVSA-N 0 0 383.540 3.683 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC3(c4ccccc4)CCCC3)C2)n1 ZINC000117028628 839542318 /nfs/dbraw/zinc/54/23/18/839542318.db2.gz BAQQMQZHEDMXEQ-HXUWFJFHSA-N 0 0 395.551 3.829 10 0 GHAERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1 ZINC000364383379 840122951 /nfs/dbraw/zinc/12/29/51/840122951.db2.gz IJTWHYHEUMDWDA-FXAWDEMLSA-N 0 0 394.475 3.528 10 0 GHAERN Cc1csc(N2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)n1 ZINC000108860251 840254224 /nfs/dbraw/zinc/25/42/24/840254224.db2.gz MCBJFJVNNSAFJR-UHFFFAOYSA-N 0 0 386.546 3.733 10 0 GHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121051878 840427023 /nfs/dbraw/zinc/42/70/23/840427023.db2.gz DJSFVPDCMDWLPR-GXCBOPRBSA-N 0 0 392.368 3.903 10 0 GHAERN O=C1C[C@H](c2nc(Cc3ccc(Cl)cc3)no2)CN1CCc1ccccc1 ZINC000109611476 840512073 /nfs/dbraw/zinc/51/20/73/840512073.db2.gz RRQFBHHUQLZPEN-KRWDZBQOSA-N 0 0 381.863 3.872 10 0 GHAERN O=C(Nc1cccc2[nH]cnc21)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000118726607 840548117 /nfs/dbraw/zinc/54/81/17/840548117.db2.gz SIOTXFKIIBUJFI-HAVBXNNZSA-N 0 0 392.503 3.709 10 0 GHAERN Cc1cnn([C@@H]2CCCN(CC(=O)Nc3ccc(Br)cc3C)C2)c1 ZINC000106225166 840805256 /nfs/dbraw/zinc/80/52/56/840805256.db2.gz OHZIRBHCZVHXRR-MRXNPFEDSA-N 0 0 391.313 3.538 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)cc1 ZINC000332818792 844577981 /nfs/dbraw/zinc/57/79/81/844577981.db2.gz WHIOUFYGIUPNNO-UZLBHIALSA-N 0 0 397.523 3.510 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1 ZINC000332838132 844588208 /nfs/dbraw/zinc/58/82/08/844588208.db2.gz MXDMDTSCVKSZQO-UYAOXDASSA-N 0 0 381.524 3.932 10 0 GHAERN O=C([C@@H]1CCn2c(cnc2C2CCCCC2)C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408133305 841083313 /nfs/dbraw/zinc/08/33/13/841083313.db2.gz OEZDJOZHKPJNFT-MSYCTHLASA-N 0 0 385.552 3.647 10 0 GHAERN CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@]34CCOc3ccccc34)cn2)CC1 ZINC000332891965 844612198 /nfs/dbraw/zinc/61/21/98/844612198.db2.gz OEEXSUDDHLGUIJ-YKSBVNFPSA-N 0 0 391.515 3.675 10 0 GHAERN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCO[C@H]2CCCC[C@H]21 ZINC000328792545 841459596 /nfs/dbraw/zinc/45/95/96/841459596.db2.gz RKJHCRSNAMBAJE-RTWAWAEBSA-N 0 0 388.471 3.718 10 0 GHAERN O=C(/C=C\c1ccncn1)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000588413757 841464580 /nfs/dbraw/zinc/46/45/80/841464580.db2.gz ODNGXSMKYXLSBN-GEXIGZQTSA-N 0 0 375.272 3.928 10 0 GHAERN Cc1cc(N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)nn1-c1ccccc1Cl ZINC000329260551 861216625 /nfs/dbraw/zinc/21/66/25/861216625.db2.gz DSQSBLWIKKBEEG-QRTARXTBSA-N 0 0 384.867 3.934 10 0 GHAERN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000246464342 841652248 /nfs/dbraw/zinc/65/22/48/841652248.db2.gz AHJLFNZQRBCSBA-VLBMKZOESA-N 0 0 378.513 3.803 10 0 GHAERN CCc1nc2n(n1)C[C@@H](NC(=O)C1(Cc3cccc(Cl)c3)CCCC1)CC2 ZINC000120981727 841818541 /nfs/dbraw/zinc/81/85/41/841818541.db2.gz AUYMIRFBWPTYOR-KRWDZBQOSA-N 0 0 386.927 3.728 10 0 GHAERN CC(C)[C@@H]1OCCC[C@@H]1Nc1nccc(N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)n1 ZINC000329284113 861246429 /nfs/dbraw/zinc/24/64/29/861246429.db2.gz FZBTVSNQMBQUTL-RFBJODPTSA-N 0 0 388.556 3.612 10 0 GHAERN O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408193093 842286576 /nfs/dbraw/zinc/28/65/76/842286576.db2.gz QTGQUNALZLJWMA-NXWXRZEISA-N 0 0 376.472 3.765 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000247431915 842302264 /nfs/dbraw/zinc/30/22/64/842302264.db2.gz NUKHZKPNMIBFIF-NMLACTOBSA-N 0 0 385.508 3.780 10 0 GHAERN Cc1ccc(SCCC(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1C ZINC000588434339 842476676 /nfs/dbraw/zinc/47/66/76/842476676.db2.gz FEWAZGWXROXYEE-SREVYHEPSA-N 0 0 378.538 3.983 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1F ZINC000588435989 842561805 /nfs/dbraw/zinc/56/18/05/842561805.db2.gz GOQVMYPHRMRQIN-LTBFUDJGSA-N 0 0 380.423 3.696 10 0 GHAERN O=C(/C=C\c1ccncn1)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000588438637 842731963 /nfs/dbraw/zinc/73/19/63/842731963.db2.gz FEGACUDQODRUET-HLRDLLSLSA-N 0 0 380.448 3.946 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1F ZINC000588446590 842868360 /nfs/dbraw/zinc/86/83/60/842868360.db2.gz CWCAZZJLGKQTNM-VSKPTYQZSA-N 0 0 389.858 3.681 10 0 GHAERN Cc1cccc(-c2nc(CC(=O)N3CCC(Cc4nccn4C)CC3)cs2)c1 ZINC000162408109 843249624 /nfs/dbraw/zinc/24/96/24/843249624.db2.gz AYUNYCKGNZIZSO-UHFFFAOYSA-N 0 0 394.544 3.876 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)CC1=O ZINC000328979671 843285664 /nfs/dbraw/zinc/28/56/64/843285664.db2.gz CXZCJMKYXQLJBG-UKMCQSRUSA-N 0 0 398.547 3.528 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000588452833 843314938 /nfs/dbraw/zinc/31/49/38/843314938.db2.gz UDRDYIPKWDAIRX-SEYXRHQNSA-N 0 0 383.407 3.843 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cnc(Br)c(Br)c1 ZINC000588453712 843327320 /nfs/dbraw/zinc/32/73/20/843327320.db2.gz HFEFSTZCJUVOHT-PLNGDYQASA-N 0 0 397.070 3.962 10 0 GHAERN CCc1cc(NS(=O)(=O)/C=C\c2ccc(Br)cc2)nc(C)n1 ZINC000588457058 843371736 /nfs/dbraw/zinc/37/17/36/843371736.db2.gz HCNCMKHCJMAHEZ-HJWRWDBZSA-N 0 0 382.283 3.523 10 0 GHAERN Cc1cc(Br)ccc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000123594398 843416722 /nfs/dbraw/zinc/41/67/22/843416722.db2.gz FVJRZTMFEGNZDQ-YJBOKZPZSA-N 0 0 381.314 3.594 10 0 GHAERN O=C(CCc1nc(-c2cc(Br)cs2)no1)N1CC[C@H]2CCC[C@@H]21 ZINC000330288817 843516681 /nfs/dbraw/zinc/51/66/81/843516681.db2.gz BTMFABGNFHHBQR-PWSUYJOCSA-N 0 0 396.310 3.894 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 ZINC000332907631 844643498 /nfs/dbraw/zinc/64/34/98/844643498.db2.gz YMOHNAUFLRVNFJ-WOJBJXKFSA-N 0 0 379.508 3.609 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@H]1c1ccccc1 ZINC000246306694 844671679 /nfs/dbraw/zinc/67/16/79/844671679.db2.gz FUILRWXYPPNIRQ-MMKMLUHNSA-N 0 0 386.536 3.554 10 0 GHAERN Cn1cc([C@@H]2CSCCN2C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000332957443 844814479 /nfs/dbraw/zinc/81/44/79/844814479.db2.gz OTYRLRPPGJFDSW-SNPRPXQTSA-N 0 0 390.475 3.588 10 0 GHAERN CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC(c3nc4ccccc4o3)CC2)C1 ZINC000150923719 845083035 /nfs/dbraw/zinc/08/30/35/845083035.db2.gz JLTHVQNAIMXDED-INIZCTEOSA-N 0 0 399.491 3.791 10 0 GHAERN CCN(CC)C(=O)c1cccc(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000150984071 845093129 /nfs/dbraw/zinc/09/31/29/845093129.db2.gz RXNJHKDWXHBAGN-OALUTQOASA-N 0 0 399.491 3.882 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)c(Br)n1 ZINC000151309124 845186272 /nfs/dbraw/zinc/18/62/72/845186272.db2.gz VFGOAFLVIOQKEC-AWEZNQCLSA-N 0 0 375.270 3.871 10 0 GHAERN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000333422652 845214073 /nfs/dbraw/zinc/21/40/73/845214073.db2.gz IHYDNRGUTCPYLM-GUDVDZBRSA-N 0 0 394.585 3.594 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F)C2 ZINC000332979580 845246633 /nfs/dbraw/zinc/24/66/33/845246633.db2.gz QSPJGXRZHKZMHC-KGLIPLIRSA-N 0 0 386.462 3.980 10 0 GHAERN Cc1sc2ncnc(SCCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2c1C ZINC000329015796 845283401 /nfs/dbraw/zinc/28/34/01/845283401.db2.gz QHPYKWUSIGYROM-LSDHHAIUSA-N 0 0 391.562 3.960 10 0 GHAERN CC1(C)CCCCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000408442899 845306223 /nfs/dbraw/zinc/30/62/23/845306223.db2.gz MTOQGPUNQHBBEU-UHFFFAOYSA-N 0 0 375.488 3.652 10 0 GHAERN CN(c1cccnn1)C1CCN(C(=O)c2cccc(OC3CCCCC3)c2)CC1 ZINC000159160273 861611402 /nfs/dbraw/zinc/61/14/02/861611402.db2.gz KUBHSVWSICOXNP-UHFFFAOYSA-N 0 0 394.519 3.929 10 0 GHAERN COc1cc(/C=C/C(=O)N[C@H]2CCCn3nc(C(C)C)nc32)ccc1OC(C)C ZINC000151836933 845856166 /nfs/dbraw/zinc/85/61/66/845856166.db2.gz USBXPPPDSXMOEB-KAMXEHQASA-N 0 0 398.507 3.862 10 0 GHAERN CC(C)c1nnc(NC(=O)CCC(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000151865234 845911606 /nfs/dbraw/zinc/91/16/06/845911606.db2.gz KFMQKKGYLKEJCP-UHFFFAOYSA-N 0 0 390.534 3.758 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)sc1C ZINC000329548021 861630933 /nfs/dbraw/zinc/63/09/33/861630933.db2.gz HOIUUNJFNNVBDG-SJORKVTESA-N 0 0 391.581 3.751 10 0 GHAERN C[C@H]1CC(c2noc(CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)n2)C[C@H](C)C1 ZINC000329547654 861631046 /nfs/dbraw/zinc/63/10/46/861631046.db2.gz AZPQQRIJSFWHIJ-XDEPDNQISA-N 0 0 394.475 3.707 10 0 GHAERN CCS[C@H]1CC[C@H](N(C)C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000151971612 846072862 /nfs/dbraw/zinc/07/28/62/846072862.db2.gz KLKBPWNHJBRMIJ-ROUUACIJSA-N 0 0 376.570 3.674 10 0 GHAERN Cc1noc(C)c1-c1csc(=Nc2ccccc2C)n1CC(=O)NC1CC1 ZINC000588495814 846109325 /nfs/dbraw/zinc/10/93/25/846109325.db2.gz CYHJVZYHIGWWSX-UHFFFAOYSA-N 0 0 382.489 3.641 10 0 GHAERN CN(C)c1nnc(-c2ccc(NC(=O)N3C[C@H]4[C@@H]5CC[C@@H](C5)[C@]4(C)C3)cc2)o1 ZINC000333536976 846249868 /nfs/dbraw/zinc/24/98/68/846249868.db2.gz RGDNOXQSJCDEMV-IXAFZWLNSA-N 0 0 381.480 3.703 10 0 GHAERN O=C(NCc1ccn(C2CCCC2)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000152261208 846510920 /nfs/dbraw/zinc/51/09/20/846510920.db2.gz XBZWDPCOZKLEEZ-UHFFFAOYSA-N 0 0 385.487 3.923 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)C2)n1 ZINC000329611718 861772044 /nfs/dbraw/zinc/77/20/44/861772044.db2.gz JUYVQFABMINVLW-OAGGEKHMSA-N 0 0 385.599 3.669 10 0 GHAERN CCOC(=O)N1CCC([C@H](C)NC(=O)/C=C\c2ccnc3ccccc23)CC1 ZINC000588525002 847411032 /nfs/dbraw/zinc/41/10/32/847411032.db2.gz SENSXCIQTOHAMP-QWGSZXSUSA-N 0 0 381.476 3.621 10 0 GHAERN CC(C)Cn1nc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c2ccccc2c1=O ZINC000333571984 847416589 /nfs/dbraw/zinc/41/65/89/847416589.db2.gz YFDZTYJWYMJGCO-KEWOZMMASA-N 0 0 379.504 3.561 10 0 GHAERN Cc1cc(F)cc(-n2nc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c3c2CCC3)c1 ZINC000333635574 847674485 /nfs/dbraw/zinc/67/44/85/847674485.db2.gz WMYSOJLXVNPQMV-MWTRTKDXSA-N 0 0 397.494 3.576 10 0 GHAERN COc1ccc(-n2nnc(C(=O)N3CCCC[C@H]3c3nc(C)cs3)c2C)cc1 ZINC000329084669 847755192 /nfs/dbraw/zinc/75/51/92/847755192.db2.gz FVWBMXSXROMSRL-KRWDZBQOSA-N 0 0 397.504 3.717 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@H](c3ccccc3)C2)nn1-c1cccc(Cl)c1 ZINC000152824404 847767937 /nfs/dbraw/zinc/76/79/37/847767937.db2.gz QRTQLMJANNCLOR-KRWDZBQOSA-N 0 0 393.874 3.824 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cc(C(C)C)nc2ccccc21 ZINC000333587162 847869587 /nfs/dbraw/zinc/86/95/87/847869587.db2.gz SDYMPRNFKCPFSY-UGKGYDQZSA-N 0 0 392.503 3.969 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3cc(-c4ccccc4C)nn3C)CCO2)o1 ZINC000153399956 848444696 /nfs/dbraw/zinc/44/46/96/848444696.db2.gz YHRCHJKRMYKNNV-IBGZPJMESA-N 0 0 380.448 3.902 10 0 GHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)CCCc2csc(C)n2)C1 ZINC000154685072 849350237 /nfs/dbraw/zinc/35/02/37/849350237.db2.gz RGCLAEHPPZRCPO-ROUUACIJSA-N 0 0 386.517 3.580 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC[C@H](c2nccs2)C1 ZINC000155585980 849559981 /nfs/dbraw/zinc/55/99/81/849559981.db2.gz OWNHSZPQGOLKHT-AWEZNQCLSA-N 0 0 376.551 3.763 10 0 GHAERN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155690585 849602872 /nfs/dbraw/zinc/60/28/72/849602872.db2.gz WUGLXUIQRZFRMA-IBGZPJMESA-N 0 0 387.549 3.790 10 0 GHAERN Cn1c(SCc2ncc(-c3ccccc3Cl)o2)nnc1-c1cnccn1 ZINC000155694834 849603926 /nfs/dbraw/zinc/60/39/26/849603926.db2.gz LJNAQAUWMGNVGY-UHFFFAOYSA-N 0 0 384.852 3.873 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2CCN(c3cccs3)CC2)C1 ZINC000155943232 849711334 /nfs/dbraw/zinc/71/13/34/849711334.db2.gz WSBUEEWATXYPSJ-HOCLYGCPSA-N 0 0 393.553 3.527 10 0 GHAERN Cc1csc(C2CCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CC2)n1 ZINC000155997053 849726187 /nfs/dbraw/zinc/72/61/87/849726187.db2.gz ZLBPDLLNNVXNBY-UHFFFAOYSA-N 0 0 396.925 3.550 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(c3cccs3)CC2)c(Br)n1 ZINC000156041635 849735781 /nfs/dbraw/zinc/73/57/81/849735781.db2.gz CHZZUHNBUIHZAH-UHFFFAOYSA-N 0 0 380.311 3.613 10 0 GHAERN C[C@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@H]2CCOC2)CC1 ZINC000329693063 862096039 /nfs/dbraw/zinc/09/60/39/862096039.db2.gz ARJNGINMZRMUOD-RDGPPVDQSA-N 0 0 390.572 3.860 10 0 GHAERN Cn1ccnc1[C@H](NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1)c1ccc(F)cc1 ZINC000333770140 851104685 /nfs/dbraw/zinc/10/46/85/851104685.db2.gz RJHVEJRANMILLJ-OPWWHNRLSA-N 0 0 382.483 3.726 10 0 GHAERN Cc1ccc(S(=O)(=O)c2ccc(CN3CC[C@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771555 851198208 /nfs/dbraw/zinc/19/82/08/851198208.db2.gz ICHVLWWWPWWMGV-NZQKXSOJSA-N 0 0 399.556 3.955 10 0 GHAERN COc1cc(CN(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)ccc1SC ZINC000101547118 851669357 /nfs/dbraw/zinc/66/93/57/851669357.db2.gz QRILWBGBWKEAKP-CQSZACIVSA-N 0 0 390.471 3.650 10 0 GHAERN O=C(NCCCCOCc1ccccc1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000101997613 852078416 /nfs/dbraw/zinc/07/84/16/852078416.db2.gz OZVYBMIRTADZHU-FQEVSTJZSA-N 0 0 399.510 3.948 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)c3[nH]nc(C4CC4)c3Br)C2)n1 ZINC000329783865 862319941 /nfs/dbraw/zinc/31/99/41/862319941.db2.gz VLKCAJRDJVIFCX-NSHDSACASA-N 0 0 395.326 3.834 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCC(C)(C)c2ccccc2F)CC1 ZINC000102018705 852118029 /nfs/dbraw/zinc/11/80/29/852118029.db2.gz VJVMMZIPCVTHEC-INIZCTEOSA-N 0 0 391.531 3.686 10 0 GHAERN Cc1csc(-c2ccc(NC(=O)C(=O)N(C)Cc3ccc(F)cc3)cc2)n1 ZINC000102084810 852156877 /nfs/dbraw/zinc/15/68/77/852156877.db2.gz BLJLHAWDZICGEO-UHFFFAOYSA-N 0 0 383.448 3.855 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCSC[C@@H]1c1nccs1 ZINC000329950024 862448696 /nfs/dbraw/zinc/44/86/96/862448696.db2.gz HPKOXQZDAPYEPF-OCCSQVGLSA-N 0 0 391.543 3.912 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H](c1nc3ccccc3[nH]1)C(C)C)C2 ZINC000171865642 854170327 /nfs/dbraw/zinc/17/03/27/854170327.db2.gz ZJZXYTAYSZTAQZ-IBGZPJMESA-N 0 0 394.523 3.885 10 0 GHAERN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)C1 ZINC000334098285 854217614 /nfs/dbraw/zinc/21/76/14/854217614.db2.gz UMVFQSDPPPHEIV-VLUPQCQJSA-N 0 0 392.565 3.939 10 0 GHAERN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000046674500 854281661 /nfs/dbraw/zinc/28/16/61/854281661.db2.gz GJWKIFVVQBSEEV-UFYCRDLUSA-N 0 0 394.515 3.599 10 0 GHAERN CN(Cc1nccs1)[C@@H]1CC12CCN(Cc1nc(C3CCCC3)no1)CC2 ZINC000328704015 854515487 /nfs/dbraw/zinc/51/54/87/854515487.db2.gz ONTWITWECPFRHT-MRXNPFEDSA-N 0 0 387.553 3.670 10 0 GHAERN CN(Cc1nccs1)[C@H]1CC12CCN(Cc1nc(C3CCCC3)no1)CC2 ZINC000328704014 854515668 /nfs/dbraw/zinc/51/56/68/854515668.db2.gz ONTWITWECPFRHT-INIZCTEOSA-N 0 0 387.553 3.670 10 0 GHAERN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328734659 854541715 /nfs/dbraw/zinc/54/17/15/854541715.db2.gz IMSVFMLTGYEYBO-MRXNPFEDSA-N 0 0 378.538 3.921 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)CCN2c3ccccc3O[C@H](C)C2=O)n1 ZINC000328822118 854551233 /nfs/dbraw/zinc/55/12/33/854551233.db2.gz FZZAFHSNPWUPJH-NVXWUHKLSA-N 0 0 399.516 3.709 10 0 GHAERN CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 ZINC000328865767 854586534 /nfs/dbraw/zinc/58/65/34/854586534.db2.gz GMFFMVBPGSKTMH-MOPGFXCFSA-N 0 0 383.513 3.600 10 0 GHAERN CC[S@@](=O)c1ccccc1C(=O)N1CCC(Cc2ccccc2OC)CC1 ZINC000102378955 854968661 /nfs/dbraw/zinc/96/86/61/854968661.db2.gz TYELJBPUSNIQBK-MHZLTWQESA-N 0 0 385.529 3.918 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)C2)n1 ZINC000127650969 855054077 /nfs/dbraw/zinc/05/40/77/855054077.db2.gz XHODDIGOJQDWIS-CQSZACIVSA-N 0 0 387.505 3.813 10 0 GHAERN O=S(=O)(Cc1nc(-c2ccoc2)no1)c1nc(-c2ccc(F)cc2)cs1 ZINC000105723798 855137372 /nfs/dbraw/zinc/13/73/72/855137372.db2.gz KUUOVXZYFZJMBD-UHFFFAOYSA-N 0 0 391.405 3.566 10 0 GHAERN Cc1cnn([C@H]2CCCN(CC(=O)Nc3ccc(Br)c(C)c3)C2)c1 ZINC000106222743 855196376 /nfs/dbraw/zinc/19/63/76/855196376.db2.gz PQPCZXLACUJXGL-INIZCTEOSA-N 0 0 391.313 3.538 10 0 GHAERN Cc1nn(C)c(C)c1C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162723811 855215962 /nfs/dbraw/zinc/21/59/62/855215962.db2.gz NLZUNXHVJOSSEP-SECBINFHSA-N 0 0 390.336 3.562 10 0 GHAERN CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCc3c(O)cccc32)c1Br ZINC000190286083 855454985 /nfs/dbraw/zinc/45/49/85/855454985.db2.gz QFMLNUQTHRPXLK-GFCCVEGCSA-N 0 0 378.270 3.809 10 0 GHAERN O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248050812 855686229 /nfs/dbraw/zinc/68/62/29/855686229.db2.gz WFLVIXMXPRMULM-NHYWBVRUSA-N 0 0 397.846 3.675 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NCC1(c3ccccc3)CCCC1)CC2 ZINC000155728825 862793002 /nfs/dbraw/zinc/79/30/02/862793002.db2.gz UOTMISGBOYNHGT-SFHVURJKSA-N 0 0 381.524 3.528 10 0 GHAERN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC[C@@H](O)Cc1ccccc1 ZINC000104916898 856448320 /nfs/dbraw/zinc/44/83/20/856448320.db2.gz HFQXKVONWLXSRO-SFHVURJKSA-N 0 0 384.863 3.647 10 0 GHAERN COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccccc2C)c2nccn2C)cc1 ZINC000045597939 856742336 /nfs/dbraw/zinc/74/23/36/856742336.db2.gz PHIVNIJKOYHOEB-OXJNMPFZSA-N 0 0 378.476 3.887 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000068360956 857376324 /nfs/dbraw/zinc/37/63/24/857376324.db2.gz IFMJCHQXTVHCHI-OAHLLOKOSA-N 0 0 392.908 3.575 10 0 GHAERN CC(=O)N1CCC(C(=O)N(C)Cc2ccccc2Cl)(c2ccccc2)CC1 ZINC000060559294 857457292 /nfs/dbraw/zinc/45/72/92/857457292.db2.gz DEZOEISVQOXBHL-UHFFFAOYSA-N 0 0 384.907 3.879 10 0 GHAERN CC(C)COc1cccc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000061546929 857529145 /nfs/dbraw/zinc/52/91/45/857529145.db2.gz OFWMTIMIKQEDLR-UHFFFAOYSA-N 0 0 386.536 3.976 10 0 GHAERN COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2 ZINC000011873608 857849527 /nfs/dbraw/zinc/84/95/27/857849527.db2.gz PDASUMMROXGQDU-UHFFFAOYSA-N 0 0 376.456 3.943 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)c1ccc(OC3CCCCC3)cc1)CC2 ZINC000133637115 858814804 /nfs/dbraw/zinc/81/48/04/858814804.db2.gz VBPSYYZZBLKKKP-QGZVFWFLSA-N 0 0 382.508 3.858 10 0 GHAERN CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC(c3ccnn3CCO)CC2)cc1 ZINC000166352603 858851700 /nfs/dbraw/zinc/85/17/00/858851700.db2.gz UWBRSGACMUXNGY-SFHVURJKSA-N 0 0 398.551 3.519 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)c1nnc2n1CCCC2 ZINC000135312766 859498577 /nfs/dbraw/zinc/49/85/77/859498577.db2.gz IWGFIAQZEQXRCA-NILFDRSVSA-N 0 0 378.398 3.614 10 0 GHAERN C[C@H](O)CNc1nc2ccccc2n1Cc1ccc(F)cc1Br ZINC000105510064 859822254 /nfs/dbraw/zinc/82/22/54/859822254.db2.gz QXJHRJLEPLXICA-NSHDSACASA-N 0 0 378.245 3.779 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000015627160 860138366 /nfs/dbraw/zinc/13/83/66/860138366.db2.gz SJYZLIIRXQHWJS-HKUYNNGSSA-N 0 0 382.485 3.862 10 0 GHAERN O=C(N[C@@H]1CCSc2ccccc21)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172345265 860433198 /nfs/dbraw/zinc/43/31/98/860433198.db2.gz WHAVXJYTBCWYKE-MRXNPFEDSA-N 0 0 394.500 3.897 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)C2)n1 ZINC000173062831 860436099 /nfs/dbraw/zinc/43/60/99/860436099.db2.gz SYXIEYULDSGRLO-UHOSZYNNSA-N 0 0 397.544 3.767 10 0 GHAERN CCOCc1cccc(NC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 ZINC000102538626 860755122 /nfs/dbraw/zinc/75/51/22/860755122.db2.gz LQBULDFHTALKHN-IRXDYDNUSA-N 0 0 398.507 3.553 10 0 GHAERN CCc1nnc([C@H]2CN(C(=O)CC3CCC(c4ccccc4)CC3)CCO2)[nH]1 ZINC000173097283 860804213 /nfs/dbraw/zinc/80/42/13/860804213.db2.gz IVURZUHBIJVTDY-NKELODKYSA-N 0 0 382.508 3.631 10 0 GHAERN COc1ccc(OC)c([C@H](C)NCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000102695624 860819721 /nfs/dbraw/zinc/81/97/21/860819721.db2.gz KGJKLLLTYNMVJH-ZDUSSCGKSA-N 0 0 392.883 3.964 10 0 GHAERN CC(=O)NCc1ccc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000102736410 860845012 /nfs/dbraw/zinc/84/50/12/860845012.db2.gz AKLGCFCKURKKIA-UHFFFAOYSA-N 0 0 398.528 3.904 10 0 GHAERN O=C(NCc1ccccc1-n1ccnc1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102941028 860911230 /nfs/dbraw/zinc/91/12/30/860911230.db2.gz MOMMMEURMKTWFP-IBGZPJMESA-N 0 0 390.443 3.648 10 0 GHAERN C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102958578 860920168 /nfs/dbraw/zinc/92/01/68/860920168.db2.gz ZDWZTPRAYDGZMF-BEFAXECRSA-N 0 0 382.460 3.989 10 0 GHAERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)c2cccc(C(=O)N(C)C)c2)CC1 ZINC000102984546 860930747 /nfs/dbraw/zinc/93/07/47/860930747.db2.gz KWIKWNXARHBOCC-MRXNPFEDSA-N 0 0 399.922 3.561 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc(C)cs2)C1 ZINC000329113727 861031515 /nfs/dbraw/zinc/03/15/15/861031515.db2.gz RZSAXZCCTCFCKV-UAGQMJEPSA-N 0 0 377.554 3.790 10 0 GHAERN O=C([C@H]1CCCc2sccc21)N1CCOC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000329146176 861065311 /nfs/dbraw/zinc/06/53/11/861065311.db2.gz AMIXLCQEIGQHFO-DLBZAZTESA-N 0 0 395.484 3.818 10 0 GHAERN O=C([C@@H]1CCCc2sccc21)N1CCOC[C@@H]1c1nnc(-c2ccccc2)o1 ZINC000329146177 861066138 /nfs/dbraw/zinc/06/61/38/861066138.db2.gz AMIXLCQEIGQHFO-IAGOWNOFSA-N 0 0 395.484 3.818 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)c3cccc(NC(=O)NC4CC4)c3)c21 ZINC000103127845 863926464 /nfs/dbraw/zinc/92/64/64/863926464.db2.gz HNKWALMVRBGNEU-UHFFFAOYSA-N 0 0 376.460 3.733 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000103273354 863936952 /nfs/dbraw/zinc/93/69/52/863936952.db2.gz PAWMBPJEJKWPBJ-BFUOFWGJSA-N 0 0 388.427 3.696 10 0 GHAERN COC(=O)c1cc(F)ccc1CSc1nnc(-c2ccc(F)cc2)n1C ZINC000103349475 863967820 /nfs/dbraw/zinc/96/78/20/863967820.db2.gz YVRXIORHLGREJI-UHFFFAOYSA-N 0 0 375.400 3.839 10 0 GHAERN CC(=O)NCc1ccc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)s1 ZINC000151721715 863989436 /nfs/dbraw/zinc/98/94/36/863989436.db2.gz CEDMXBRLSIZSBL-KRWDZBQOSA-N 0 0 384.501 3.951 10 0 GHAERN CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(-n3cnnn3)cc2Cl)cc1 ZINC000103738559 864077045 /nfs/dbraw/zinc/07/70/45/864077045.db2.gz MPYPBKFCIHJCLM-IBGZPJMESA-N 0 0 397.866 3.692 10 0 GHAERN O=C(Nc1ccccc1N1CCCCCC1)c1ccc(-n2cnnn2)cc1Cl ZINC000103743273 864079848 /nfs/dbraw/zinc/07/98/48/864079848.db2.gz UGMBDHIQIMYTMQ-UHFFFAOYSA-N 0 0 396.882 3.948 10 0 GHAERN CCN(C(=O)c1ccc(-n2cnnn2)cc1Cl)[C@H](C)c1cccc(OC)c1 ZINC000103750971 864082255 /nfs/dbraw/zinc/08/22/55/864082255.db2.gz KBXCSLGCEWLCPP-CYBMUJFWSA-N 0 0 385.855 3.548 10 0 GHAERN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000104288133 864240803 /nfs/dbraw/zinc/24/08/03/864240803.db2.gz IMKKYFFVKQGKNR-UHFFFAOYSA-N 0 0 383.791 3.507 10 0 GHAERN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000245927591 864574061 /nfs/dbraw/zinc/57/40/61/864574061.db2.gz RRVPGBNCSBTOMQ-XYPHTWIQSA-N 0 0 393.459 3.841 10 0 GHAERN C[C@H](c1nnc(-c2ccccc2)o1)n1nnc(-c2ccc(Br)cc2)n1 ZINC000104897362 864695320 /nfs/dbraw/zinc/69/53/20/864695320.db2.gz BFSJWEXSGXLGDI-LLVKDONJSA-N 0 0 397.236 3.762 10 0 GHAERN CC(C)C[C@H]1CCCN(C(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000155247708 865499406 /nfs/dbraw/zinc/49/94/06/865499406.db2.gz GEZYBXKLVMZLFR-LMDPOFIKSA-N 0 0 395.613 3.588 10 0 GHAERN COC(=O)c1sc(N[C@H](c2nc(-c3cccnc3)no2)C(C)C)nc1Cl ZINC000301954316 865629565 /nfs/dbraw/zinc/62/95/65/865629565.db2.gz KJISSIMIZFZHTG-JTQLQIEISA-N 0 0 393.856 3.837 10 0 GHAERN CN(C(=O)CSCC(=O)N1CCCC[C@H]1c1nccs1)C1CCCCC1 ZINC000115366230 866781233 /nfs/dbraw/zinc/78/12/33/866781233.db2.gz WXIUBBUUTKGQAZ-INIZCTEOSA-N 0 0 395.594 3.721 10 0 GHAERN O=C(c1cccnc1SCC1CCCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000115370393 866781318 /nfs/dbraw/zinc/78/13/18/866781318.db2.gz BOPCMPFRCPNSJM-QGZVFWFLSA-N 0 0 385.537 3.823 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151243031 867088712 /nfs/dbraw/zinc/08/87/12/867088712.db2.gz PJXXSRXMGVUGNS-KUHUBIRLSA-N 0 0 394.302 3.946 10 0 GHAERN OCCn1nccc1C1CCN(Cc2csc(-c3ccccc3F)n2)CC1 ZINC000170872084 882062134 /nfs/dbraw/zinc/06/21/34/882062134.db2.gz UBVDZVDAQILLBZ-UHFFFAOYSA-N 0 0 386.496 3.518 10 0 GHAERN O=C(CCNC(=O)c1ccc2ccccc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000170891854 882068899 /nfs/dbraw/zinc/06/88/99/882068899.db2.gz KJBHDVKWALYHKU-IBGZPJMESA-N 0 0 393.512 3.822 10 0 GHAERN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245523352 867436683 /nfs/dbraw/zinc/43/66/83/867436683.db2.gz DDGOHMPLARCRIA-IKGGRYGDSA-N 0 0 391.556 3.523 10 0 GHAERN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171616235 882116898 /nfs/dbraw/zinc/11/68/98/882116898.db2.gz ZAVLLGOSDCATSP-HRAATJIYSA-N 0 0 377.488 3.771 10 0 GHAERN COc1cc(OC)c(OC)cc1/C=C/C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171616844 882118538 /nfs/dbraw/zinc/11/85/38/882118538.db2.gz BKPONBULIXBIJK-BQYQJAHWSA-N 0 0 396.487 3.602 10 0 GHAERN O=C(c1ccc(I)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171645659 882121495 /nfs/dbraw/zinc/12/14/95/882121495.db2.gz FRHFDNNYDKUOAP-GFCCVEGCSA-N 0 0 398.269 3.768 10 0 GHAERN C[C@@H]1c2ccccc2CCN1C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171507624 882137801 /nfs/dbraw/zinc/13/78/01/882137801.db2.gz CQENGOBIDDWFQL-MRXNPFEDSA-N 0 0 380.463 3.824 10 0 GHAERN Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171611470 882145595 /nfs/dbraw/zinc/14/55/95/882145595.db2.gz AIDWJMYSXNKWFO-UHFFFAOYSA-N 0 0 382.552 3.965 10 0 GHAERN COc1cc(Br)ccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171724092 882157469 /nfs/dbraw/zinc/15/74/69/882157469.db2.gz WLUDLAYEYGEXFZ-NSHDSACASA-N 0 0 381.295 3.934 10 0 GHAERN CCc1nc([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cs1 ZINC000171913794 882177557 /nfs/dbraw/zinc/17/75/57/882177557.db2.gz KQWZSCAAJFFKFY-ZDUSSCGKSA-N 0 0 389.496 3.574 10 0 GHAERN Nc1cc(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc(Cl)n1 ZINC000172051389 882185300 /nfs/dbraw/zinc/18/53/00/882185300.db2.gz BBEQJLOPHZMBII-CQSZACIVSA-N 0 0 381.867 3.727 10 0 GHAERN Cc1c([C@H](C)NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000172249089 882190989 /nfs/dbraw/zinc/19/09/89/882190989.db2.gz JPXGKLYIVKRGPF-YJBOKZPZSA-N 0 0 392.507 3.769 10 0 GHAERN Cc1c([C@@H](C)NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cnn1C ZINC000172249091 882191430 /nfs/dbraw/zinc/19/14/30/882191430.db2.gz JPXGKLYIVKRGPF-CRAIPNDOSA-N 0 0 392.507 3.769 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)NC[C@@H](CCO)c3ccccc3)CC2)cc1 ZINC000172639840 882282084 /nfs/dbraw/zinc/28/20/84/882282084.db2.gz RGJTYLDJSLHVSN-HXUWFJFHSA-N 0 0 382.504 3.714 10 0 GHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172540110 882293558 /nfs/dbraw/zinc/29/35/58/882293558.db2.gz HWIFMSNEABVHNS-ZDUSSCGKSA-N 0 0 390.399 3.607 10 0 GHAERN O=C(Nc1ccc2c3c(cccc31)CC2)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172711982 882300757 /nfs/dbraw/zinc/30/07/57/882300757.db2.gz BXJSNSPSGGIRGP-UHFFFAOYSA-N 0 0 385.467 3.824 10 0 GHAERN CNC(=O)c1ccc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)cc1 ZINC000172838108 882312976 /nfs/dbraw/zinc/31/29/76/882312976.db2.gz ITGZRRIEJSMDLR-SANMLTNESA-N 0 0 388.876 3.804 10 0 GHAERN CC(C)COc1ccccc1NC(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172844914 882314008 /nfs/dbraw/zinc/31/40/08/882314008.db2.gz FDYUMLRMOAMGGB-LJQANCHMSA-N 0 0 381.476 3.750 10 0 GHAERN CC(C)[C@@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173026794 882333064 /nfs/dbraw/zinc/33/30/64/882333064.db2.gz FVJHETLAXDKIED-NRFANRHFSA-N 0 0 379.504 3.790 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC1CC1)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000173163591 882336641 /nfs/dbraw/zinc/33/66/41/882336641.db2.gz OJHVYZMWFBPYPB-IBGZPJMESA-N 0 0 397.450 3.643 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccccc2N2C(=O)CCC2=O)CC[C@@H]1c1ccccc1 ZINC000173164490 882336896 /nfs/dbraw/zinc/33/68/96/882336896.db2.gz DSVISDZTRGUEPL-WMZOPIPTSA-N 0 0 391.471 3.998 10 0 GHAERN CCc1cnc(CCNC(=O)N2CCC(Nc3ccccc3F)CC2)s1 ZINC000173392015 882358966 /nfs/dbraw/zinc/35/89/66/882358966.db2.gz MOZGJNADKKZEQU-UHFFFAOYSA-N 0 0 376.501 3.673 10 0 GHAERN Cc1csc(C2CCN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)n1 ZINC000173431811 882359630 /nfs/dbraw/zinc/35/96/30/882359630.db2.gz KDTMYCJSZRPKIY-UHFFFAOYSA-N 0 0 397.544 3.710 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)n1 ZINC000173431559 882360118 /nfs/dbraw/zinc/36/01/18/882360118.db2.gz SLDNBHCVXGRICM-SJORKVTESA-N 0 0 384.501 3.732 10 0 GHAERN Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4cncn4)CC3)cn2)c1C ZINC000173674246 882390836 /nfs/dbraw/zinc/39/08/36/882390836.db2.gz LSTXHNLLZCQJMD-UHFFFAOYSA-N 0 0 392.463 3.951 10 0 GHAERN CCc1c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cnn1-c1ccccc1C ZINC000191650632 870385710 /nfs/dbraw/zinc/38/57/10/870385710.db2.gz AYDGLQTYOQXSDT-VGSWGCGISA-N 0 0 382.508 3.902 10 0 GHAERN C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000047807524 870478806 /nfs/dbraw/zinc/47/88/06/870478806.db2.gz QRAJOEPLZQNXHG-SOLBZPMBSA-N 0 0 381.476 3.946 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)CCOc3ccc(C)c(C)c3)C2)c1 ZINC000102383418 882416557 /nfs/dbraw/zinc/41/65/57/882416557.db2.gz OMDHLSWRRKECMO-LJQANCHMSA-N 0 0 382.504 3.724 10 0 GHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000195086442 870537431 /nfs/dbraw/zinc/53/74/31/870537431.db2.gz PLHLDTTYQQGSBQ-KRWDZBQOSA-N 0 0 377.444 3.698 10 0 GHAERN Cc1nc(-c2cccc(NC(=O)[C@@H]3CSCN3C(=O)C3CCC3)c2)cs1 ZINC000106355299 870618666 /nfs/dbraw/zinc/61/86/66/870618666.db2.gz RWEKHPNAFCGBDP-KRWDZBQOSA-N 0 0 387.530 3.759 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)NC(C)(C)c3ccc(F)cc3)c(=O)[nH]c21 ZINC000103130693 871354207 /nfs/dbraw/zinc/35/42/07/871354207.db2.gz JYMNFPJQWIFCPR-BJMVGYQFSA-N 0 0 382.439 3.509 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc21 ZINC000175137247 882528337 /nfs/dbraw/zinc/52/83/37/882528337.db2.gz CZCVIAHAGHFMNA-SFHVURJKSA-N 0 0 391.471 3.939 10 0 GHAERN O=C(c1ccccn1)N1CCC(c2nc(Cc3ccc(Cl)cc3)no2)CC1 ZINC000174843041 882530793 /nfs/dbraw/zinc/53/07/93/882530793.db2.gz TYKDDLLVXNXARW-UHFFFAOYSA-N 0 0 382.851 3.729 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cnc(-c4ccccc4)nc3)C2)c1 ZINC000175409259 882553394 /nfs/dbraw/zinc/55/33/94/882553394.db2.gz DJWGTVNLABVHTG-QGZVFWFLSA-N 0 0 389.455 3.791 10 0 GHAERN O=C(c1cc(F)c(Cl)nc1Cl)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000103374552 871855358 /nfs/dbraw/zinc/85/53/58/871855358.db2.gz WZRQVBQHALVQNI-ZJUUUORDSA-N 0 0 379.284 3.654 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)c1 ZINC000175407460 882553713 /nfs/dbraw/zinc/55/37/13/882553713.db2.gz CYBSYCSIEMCMBJ-QGZVFWFLSA-N 0 0 394.471 3.682 10 0 GHAERN C[C@H](NC(=O)NC1CCC(S(C)(=O)=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000175207705 882557747 /nfs/dbraw/zinc/55/77/47/882557747.db2.gz KZKGAMYGEFAKQM-NNGSBXSVSA-N 0 0 380.554 3.700 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000103443915 871998407 /nfs/dbraw/zinc/99/84/07/871998407.db2.gz VWDUYRXFOKSGPH-LSDHHAIUSA-N 0 0 397.313 3.584 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1cc(Cl)ccc1Br ZINC000103444191 871998644 /nfs/dbraw/zinc/99/86/44/871998644.db2.gz QBNHGIAACZMNTH-UHFFFAOYSA-N 0 0 391.693 3.747 10 0 GHAERN O=C(Oc1ccccc1)N1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000101532537 872068906 /nfs/dbraw/zinc/06/89/06/872068906.db2.gz OUVOWVXOZMPVRN-UHFFFAOYSA-N 0 0 382.435 3.591 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000127421230 872080705 /nfs/dbraw/zinc/08/07/05/872080705.db2.gz RNGSNIQHLCETEX-NRFANRHFSA-N 0 0 383.536 3.887 10 0 GHAERN C[C@]1(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)CC1(Cl)Cl ZINC000175429189 882578885 /nfs/dbraw/zinc/57/88/85/882578885.db2.gz SANUBPCQKXQTEZ-SCLBCKFNSA-N 0 0 381.303 3.713 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(OCC3CCCC3)CC2)C1 ZINC000175617848 882605710 /nfs/dbraw/zinc/60/57/10/882605710.db2.gz XQCSPEYILCWLST-ROUUACIJSA-N 0 0 394.556 3.878 10 0 GHAERN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCCCn2c(C)nc3ccccc32)C1 ZINC000102125500 872616586 /nfs/dbraw/zinc/61/65/86/872616586.db2.gz NCLOZGLOXTVPKL-FUHWJXTLSA-N 0 0 385.508 3.563 10 0 GHAERN CC(C)(C)OC(=O)NC(C)(C)CC(=O)NC1CCN(c2cccs2)CC1 ZINC000176160440 882640848 /nfs/dbraw/zinc/64/08/48/882640848.db2.gz CWPLLFBMRMTKDP-UHFFFAOYSA-N 0 0 381.542 3.527 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H]1C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000176203859 882646020 /nfs/dbraw/zinc/64/60/20/882646020.db2.gz KDLLWNNZWDBAGV-MRXNPFEDSA-N 0 0 383.414 3.874 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)c1cc(Cl)ccc1OC1CCCC1 ZINC000175991566 882653861 /nfs/dbraw/zinc/65/38/61/882653861.db2.gz IXAVVFNIJRHXNB-UHFFFAOYSA-N 0 0 397.866 3.567 10 0 GHAERN O=C(Cc1ccccc1)Nc1cc(NC(=O)[C@@H]2CCCn3ccnc32)ccc1F ZINC000176054019 882661767 /nfs/dbraw/zinc/66/17/67/882661767.db2.gz NCZHNKXHMUFGOQ-QGZVFWFLSA-N 0 0 392.434 3.720 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nc21 ZINC000176128677 882669208 /nfs/dbraw/zinc/66/92/08/882669208.db2.gz GQYPHYMWZWXZNV-GOSISDBHSA-N 0 0 385.414 3.682 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccn(-c4c(F)cccc4F)n3)CC2)n1 ZINC000176386072 882687041 /nfs/dbraw/zinc/68/70/41/882687041.db2.gz XWJJOBKDNQADPE-UHFFFAOYSA-N 0 0 388.443 3.935 10 0 GHAERN Cc1sc(C(=O)NCc2cccnc2-n2cncn2)cc1-c1ccc(F)cc1 ZINC000176448278 882693216 /nfs/dbraw/zinc/69/32/16/882693216.db2.gz WFRKJNMDSNCGRY-UHFFFAOYSA-N 0 0 393.447 3.768 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)no1 ZINC000102744444 873526132 /nfs/dbraw/zinc/52/61/32/873526132.db2.gz JGMLAIDNPBKFGX-RYUDHWBXSA-N 0 0 383.370 3.868 10 0 GHAERN CC(=O)c1ccc(OCCCC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000116668968 873614231 /nfs/dbraw/zinc/61/42/31/873614231.db2.gz MWCJENKCFPYHLT-UHFFFAOYSA-N 0 0 395.503 3.537 10 0 GHAERN Cc1c(C[S@@](C)=O)cccc1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000116847859 873730797 /nfs/dbraw/zinc/73/07/97/873730797.db2.gz ACQRSRNAVZSXTF-GDJIYFAZSA-N 0 0 399.516 3.509 10 0 GHAERN COc1cc(F)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1F ZINC000176964906 882754910 /nfs/dbraw/zinc/75/49/10/882754910.db2.gz RNNKQIGEOCHHKB-UHFFFAOYSA-N 0 0 392.377 3.603 10 0 GHAERN O=c1ccc(-c2ccccc2F)nn1CN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102921161 873881289 /nfs/dbraw/zinc/88/12/89/873881289.db2.gz BZUOGKDOQXMOGA-IBGZPJMESA-N 0 0 393.418 3.573 10 0 GHAERN COc1ccccc1[C@H](NC(=O)N1CCC[C@H]1Cn1ccnc1)c1ccccc1 ZINC000177505893 882808646 /nfs/dbraw/zinc/80/86/46/882808646.db2.gz BSJWVFYQOBQBEY-SIKLNZKXSA-N 0 0 390.487 3.855 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)N2CC=C(c3cccs3)CC2)CC1 ZINC000117959629 874283062 /nfs/dbraw/zinc/28/30/62/874283062.db2.gz FHHYOMLUTFOPBG-UHFFFAOYSA-N 0 0 389.565 3.974 10 0 GHAERN O=C(Nc1cccc(-c2cnco2)c1)C(=O)N1CC=C(c2cccs2)CC1 ZINC000118139466 874377266 /nfs/dbraw/zinc/37/72/66/874377266.db2.gz FAYZMGVWKAETNH-UHFFFAOYSA-N 0 0 379.441 3.658 10 0 GHAERN COc1ccccc1CCN(C)C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O ZINC000104457476 874411965 /nfs/dbraw/zinc/41/19/65/874411965.db2.gz GOTOXACKPMOFGL-OAQYLSRUSA-N 0 0 378.472 3.660 10 0 GHAERN COc1cccc([C@@H](C)CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000177568512 882832342 /nfs/dbraw/zinc/83/23/42/882832342.db2.gz CFGGUCCPXSMADM-SFHVURJKSA-N 0 0 386.536 3.830 10 0 GHAERN O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc(-n2cccc2)c(F)c1 ZINC000104847364 874808417 /nfs/dbraw/zinc/80/84/17/874808417.db2.gz URWATNDKRJLUSO-UHFFFAOYSA-N 0 0 379.435 3.830 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)C2)n1 ZINC000119056405 874860607 /nfs/dbraw/zinc/86/06/07/874860607.db2.gz AQQYROBHNUQNFV-NEPJUHHUSA-N 0 0 398.454 3.705 10 0 GHAERN Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000178221327 882875867 /nfs/dbraw/zinc/87/58/67/882875867.db2.gz WHNQZMYRNDAQGV-INIZCTEOSA-N 0 0 396.462 3.800 10 0 GHAERN CO[C@H](C)c1noc(C[S@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000178145512 882889997 /nfs/dbraw/zinc/88/99/97/882889997.db2.gz GEYBCKDIYJQMJC-REFGNXHDSA-N 0 0 381.841 3.534 10 0 GHAERN CCOc1ccccc1CN(C)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000178475139 882896148 /nfs/dbraw/zinc/89/61/48/882896148.db2.gz IJJUWEHSABIOBT-GFCCVEGCSA-N 0 0 381.398 3.591 10 0 GHAERN Cc1cc(/C=C\C(=O)NCC(=O)NCc2ccco2)c(C)n1C1CCCCC1 ZINC000105192452 875109713 /nfs/dbraw/zinc/10/97/13/875109713.db2.gz NHYITILKRUGPDZ-KHPPLWFESA-N 0 0 383.492 3.649 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)N[C@H]1CCCn3nc(C(C)C)nc31)CCC2 ZINC000153919907 875147102 /nfs/dbraw/zinc/14/71/02/875147102.db2.gz JYSMHZUJPOTVAV-GJZGRUSLSA-N 0 0 388.541 3.720 10 0 GHAERN CS(=O)(=O)Cc1ccc(C(=O)OCCc2ccccc2C(F)(F)F)cc1 ZINC000105776460 875457891 /nfs/dbraw/zinc/45/78/91/875457891.db2.gz GXCAHOZHMFQGLW-UHFFFAOYSA-N 0 0 386.391 3.650 10 0 GHAERN O=C(Nc1ccc(SC(F)F)nc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000178939443 882938850 /nfs/dbraw/zinc/93/88/50/882938850.db2.gz UFQMALNQLDLCIN-UHFFFAOYSA-N 0 0 397.472 3.949 10 0 GHAERN C[C@@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179813004 883029824 /nfs/dbraw/zinc/02/98/24/883029824.db2.gz RYZBAUZHFQDVFX-GFCCVEGCSA-N 0 0 376.453 3.677 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CN[C@H](c2nc(C3CC3)no2)C(C)C)cc1 ZINC000179838014 883031582 /nfs/dbraw/zinc/03/15/82/883031582.db2.gz FJYHRBFHLRKBPF-ICSRJNTNSA-N 0 0 398.507 3.606 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000180712435 883095632 /nfs/dbraw/zinc/09/56/32/883095632.db2.gz QEIQCVAMQYCPDQ-IWAYRVGRSA-N 0 0 379.382 3.535 10 0 GHAERN C[C@@H](NC(=O)N1CCC(C)(C)S(=O)(=O)CC1)c1ccc(C(C)(C)C)cc1 ZINC000193469565 877860895 /nfs/dbraw/zinc/86/08/95/877860895.db2.gz DKEQTNVADCCKJU-OAHLLOKOSA-N 0 0 380.554 3.654 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cnc(-c4ncccn4)s3)C2)cc1 ZINC000122005274 878222634 /nfs/dbraw/zinc/22/26/34/878222634.db2.gz JNSHHCXSBAZUHU-DZGCQCFKSA-N 0 0 380.473 3.627 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(CN4CCCC4=O)c3)C2)cc1 ZINC000122161143 878408801 /nfs/dbraw/zinc/40/88/01/878408801.db2.gz MKWWJSWSTXBGOD-UWJYYQICSA-N 0 0 392.499 3.836 10 0 GHAERN Cc1cc(C(=O)N2Cc3ccccc3N(C)C[C@H]2C)c2cnn(C(C)C)c2n1 ZINC000175212455 878711569 /nfs/dbraw/zinc/71/15/69/878711569.db2.gz UBEICLRRRVEHDL-MRXNPFEDSA-N 0 0 377.492 3.801 10 0 GHAERN Cc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1CCO[C@@H]1CCCCO1 ZINC000122688575 879255162 /nfs/dbraw/zinc/25/51/62/879255162.db2.gz SBQYABPUIQSGOO-JOCHJYFZSA-N 0 0 395.503 3.664 10 0 GHAERN COc1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000026109451 880422056 /nfs/dbraw/zinc/42/20/56/880422056.db2.gz XJZZRTMAFSPBJN-DHZHZOJOSA-N 0 0 382.435 3.725 10 0 GHAERN C[C@]1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CC1(Cl)Cl ZINC000181345276 883142228 /nfs/dbraw/zinc/14/22/28/883142228.db2.gz QOUXPZZFMAKBCA-SUMWQHHRSA-N 0 0 379.291 3.762 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)NC2CCN(c3cccc(C)n3)CC2)CCO1 ZINC000181133058 883148636 /nfs/dbraw/zinc/14/86/36/883148636.db2.gz ROGVSATZMNHENQ-UXHICEINSA-N 0 0 388.556 3.642 10 0 GHAERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)[C@@H]1CC(=O)Nc2ccccc21 ZINC000181587659 883165074 /nfs/dbraw/zinc/16/50/74/883165074.db2.gz QNFLDHWRMJUUSA-BDJLRTHQSA-N 0 0 384.304 3.810 10 0 GHAERN O=C([C@H]1C[C@H]1c1cccc2ccccc21)N1CCC(c2ccnn2CCO)CC1 ZINC000181930070 883193626 /nfs/dbraw/zinc/19/36/26/883193626.db2.gz DCOLDSJQJIJOEO-VXKWHMMOSA-N 0 0 389.499 3.538 10 0 GHAERN CCOc1cc(/C=C/C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)ccc1O ZINC000182450420 883203485 /nfs/dbraw/zinc/20/34/85/883203485.db2.gz ZWZLJSZFXXSTNT-BQYDLMEBSA-N 0 0 397.406 3.540 10 0 GHAERN O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182104842 883204737 /nfs/dbraw/zinc/20/47/37/883204737.db2.gz OCRTVUGQOJKDFU-GOSISDBHSA-N 0 0 390.447 3.816 10 0 GHAERN CC[C@@]1(c2ccc(N[C@H](C)c3cccc(NC(C)=O)c3)cc2)CCC(=O)NC1=O ZINC000182742210 883233586 /nfs/dbraw/zinc/23/35/86/883233586.db2.gz OEPYFKNZQXAENK-CMJOXMDJSA-N 0 0 393.487 3.903 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3cccc(NC(C)=O)c3)cc2)CCC(=O)NC1=O ZINC000182742170 883233688 /nfs/dbraw/zinc/23/36/88/883233688.db2.gz OEPYFKNZQXAENK-WNSKOXEYSA-N 0 0 393.487 3.903 10 0 GHAERN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000183077434 883258929 /nfs/dbraw/zinc/25/89/29/883258929.db2.gz QCQAPMOFNBFQIH-GOSISDBHSA-N 0 0 390.447 3.816 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000184020267 883298799 /nfs/dbraw/zinc/29/87/99/883298799.db2.gz XGMSSHVWKGMVSC-QHAWAJNXSA-N 0 0 399.441 3.613 10 0 GHAERN CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184021539 883298974 /nfs/dbraw/zinc/29/89/74/883298974.db2.gz NBZSLZZIJDGVEV-JOCHJYFZSA-N 0 0 397.494 3.893 10 0 GHAERN CCCC1(CNC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CCC1 ZINC000184031868 883301105 /nfs/dbraw/zinc/30/11/05/883301105.db2.gz XWUIVFMKJFJMEZ-LJQANCHMSA-N 0 0 375.488 3.889 10 0 GHAERN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCCN(c2ccccn2)CC1 ZINC000183839255 883305846 /nfs/dbraw/zinc/30/58/46/883305846.db2.gz UCOICYJBSPLADT-OAHLLOKOSA-N 0 0 392.425 3.640 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NC[C@@H](C)c3ncc(C)s3)C2)c1 ZINC000184456646 883336380 /nfs/dbraw/zinc/33/63/80/883336380.db2.gz AEHUDDUDFSKCRY-UKRRQHHQSA-N 0 0 389.521 3.771 10 0 GHAERN Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000184735647 883363683 /nfs/dbraw/zinc/36/36/83/883363683.db2.gz BCEAHFADAJXMSZ-MRXNPFEDSA-N 0 0 395.492 3.813 10 0 GHAERN CC(=O)N1CC[C@H](NCc2ccn(-c3ccccc3)n2)c2ccc(F)cc2C1 ZINC000185360149 883440497 /nfs/dbraw/zinc/44/04/97/883440497.db2.gz FJIOZUGSKUUSGA-QFIPXVFZSA-N 0 0 378.451 3.595 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cnc(Cl)c(C)c2)c2ccc(F)cc2C1 ZINC000185396504 883446933 /nfs/dbraw/zinc/44/69/33/883446933.db2.gz LWZCZRGRBSYLRK-QGZVFWFLSA-N 0 0 390.846 3.798 10 0 GHAERN CCc1ccc(CCC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185500961 883546026 /nfs/dbraw/zinc/54/60/26/883546026.db2.gz MFYRSLYMTULWFR-JOCHJYFZSA-N 0 0 382.479 3.930 10 0 GHAERN COc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185508335 883547310 /nfs/dbraw/zinc/54/73/10/883547310.db2.gz PIYUAHYVKVFYOC-IVZQSRNASA-N 0 0 398.478 3.623 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)CCO[C@H](C)CC(C)C)c2ccc(F)cc2C1 ZINC000185522412 883550552 /nfs/dbraw/zinc/55/05/52/883550552.db2.gz OWNMSSCADADNTG-QRWLVFNGSA-N 0 0 378.488 3.577 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)Oc2cccc(C)c2)c2ccc(F)cc2C1 ZINC000185540546 883552483 /nfs/dbraw/zinc/55/24/83/883552483.db2.gz RLFVZFDYTWUNHZ-BTYIYWSLSA-N 0 0 384.451 3.511 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)CCCOc2ccccc2C)c2ccc(F)cc2C1 ZINC000185552941 883555698 /nfs/dbraw/zinc/55/56/98/883555698.db2.gz CPAGZDMRFQUBON-OAQYLSRUSA-N 0 0 398.478 3.903 10 0 GHAERN CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC=C(c3ccccc3F)CC2)c1 ZINC000186330720 883632769 /nfs/dbraw/zinc/63/27/69/883632769.db2.gz BAVXZJMOSYZESK-UHFFFAOYSA-N 0 0 391.439 3.688 10 0 GHAERN COCc1c(C(=O)N2CCCN(c3ccccn3)CC2)sc2cccc(F)c21 ZINC000186414780 883643179 /nfs/dbraw/zinc/64/31/79/883643179.db2.gz VNTCTYFJLYLZSH-UHFFFAOYSA-N 0 0 399.491 3.934 10 0 GHAERN O=C(CCCc1ncc(-c2ccccc2)o1)N1CCCN(c2ccccn2)CC1 ZINC000186508171 883660118 /nfs/dbraw/zinc/66/01/18/883660118.db2.gz UFPHGQHUCSFNAO-UHFFFAOYSA-N 0 0 390.487 3.798 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H]3CCCN(c4ccccc4F)C3)ccc2NC1=O ZINC000186599785 883669154 /nfs/dbraw/zinc/66/91/54/883669154.db2.gz TZYBLUTWCOGDGA-INIZCTEOSA-N 0 0 397.454 3.594 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)csc2C(=O)OC)o1 ZINC000186812425 883706749 /nfs/dbraw/zinc/70/67/49/883706749.db2.gz XZSJFZKGUDTMFA-ZDUSSCGKSA-N 0 0 378.450 3.952 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)NCc1ncc(-c2ccccc2)cn1 ZINC000186859805 883723402 /nfs/dbraw/zinc/72/34/02/883723402.db2.gz DEFKCMKTUPWIHW-UHFFFAOYSA-N 0 0 382.445 3.622 10 0 GHAERN CCSc1cc(CNC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)ccn1 ZINC000187048286 883733674 /nfs/dbraw/zinc/73/36/74/883733674.db2.gz CMNIGYYOOUHZFJ-QGZVFWFLSA-N 0 0 384.505 3.506 10 0 GHAERN O=C(N[C@@H](c1nccs1)c1ccccc1)N1CCC(Nc2nccs2)CC1 ZINC000186988850 883742292 /nfs/dbraw/zinc/74/22/92/883742292.db2.gz JLSHBVCTICAACN-MRXNPFEDSA-N 0 0 399.545 3.975 10 0 GHAERN CN(CC1(O)CCOCC1)C(=O)N[C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000187623896 883805213 /nfs/dbraw/zinc/80/52/13/883805213.db2.gz SURILIPSLKFAST-KRWDZBQOSA-N 0 0 394.924 3.674 10 0 GHAERN O=C(NCc1ccc(OCC2CC2)nc1)N1CC2(CCOCC2)c2ccccc21 ZINC000188087036 883822572 /nfs/dbraw/zinc/82/25/72/883822572.db2.gz GACOSBOOFCRCQM-UHFFFAOYSA-N 0 0 393.487 3.648 10 0 GHAERN Cc1nc(CN2CCC(C(=O)N[C@H]3CCOc4c(C)cccc43)CC2)cs1 ZINC000188097851 883822679 /nfs/dbraw/zinc/82/26/79/883822679.db2.gz BNRWPJMHUCUIRN-IBGZPJMESA-N 0 0 385.533 3.612 10 0 GHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CCC(c3ccnn3CCO)CC1)CC2 ZINC000188152642 883827292 /nfs/dbraw/zinc/82/72/92/883827292.db2.gz HFWSWEUZACPMPG-OAQYLSRUSA-N 0 0 396.535 3.575 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3nn(-c4c(F)cccc4F)cc3C)CCO2)o1 ZINC000188555757 883858095 /nfs/dbraw/zinc/85/80/95/883858095.db2.gz KGWUQDLMXORJAV-KRWDZBQOSA-N 0 0 387.386 3.574 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1OC ZINC000188732945 883864271 /nfs/dbraw/zinc/86/42/71/883864271.db2.gz OBLQGYKJKYIZSF-DZZUKKPASA-N 0 0 398.507 3.816 10 0 GHAERN CC(C)Oc1ccc(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000188957968 883905625 /nfs/dbraw/zinc/90/56/25/883905625.db2.gz DXWZXSKHWLMACP-UHFFFAOYSA-N 0 0 395.503 3.829 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)cs1 ZINC000189438564 883955651 /nfs/dbraw/zinc/95/56/51/883955651.db2.gz NXDSESOFWWVKII-IBGZPJMESA-N 0 0 398.532 3.662 10 0 GHAERN Cn1cc([C@@H]2CSCCN2C(=O)N[C@H]2c3ccccc3CCC2(C)C)cn1 ZINC000189659093 883983798 /nfs/dbraw/zinc/98/37/98/883983798.db2.gz RWIFMNUVIGRHTO-OALUTQOASA-N 0 0 384.549 3.933 10 0 GHAERN O=C(c1cncn1-c1ccc(F)cc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189782976 883994929 /nfs/dbraw/zinc/99/49/29/883994929.db2.gz VWWSIIVEQIUCCK-UHFFFAOYSA-N 0 0 377.419 3.720 10 0 GHAERN COc1cccc2[nH]cc(CC(=O)N3CC4(CCOCC4)c4ccccc43)c21 ZINC000189822033 884013624 /nfs/dbraw/zinc/01/36/24/884013624.db2.gz CPVCIHBEVIJHBU-UHFFFAOYSA-N 0 0 376.456 3.814 10 0 GHAERN CCc1nc(-c2ccc(C(=O)N3CC4(CCOCC4)c4ccccc43)cc2)n[nH]1 ZINC000189831848 884014848 /nfs/dbraw/zinc/01/48/48/884014848.db2.gz PUPLIHVRKIRPJO-UHFFFAOYSA-N 0 0 388.471 3.743 10 0 GHAERN O=C(Cc1csc(-c2cccnc2)n1)N1CC2(CCOCC2)c2ccccc21 ZINC000189854182 884017778 /nfs/dbraw/zinc/01/77/78/884017778.db2.gz BIIICOPWQKRIIS-UHFFFAOYSA-N 0 0 391.496 3.843 10 0 GHAERN CN(C(=O)c1ccccc1NC(=O)N[C@@H]1C[C@H]2OCCC[C@H]12)C1CCCCC1 ZINC000190022329 884043661 /nfs/dbraw/zinc/04/36/61/884043661.db2.gz RXTKNBPEUSPSOV-NSISKUIASA-N 0 0 385.508 3.780 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000190105491 884046434 /nfs/dbraw/zinc/04/64/34/884046434.db2.gz DNGRXMVFRJLMHL-UHFFFAOYSA-N 0 0 381.411 3.686 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2SC(C)C)C1 ZINC000190134256 884047672 /nfs/dbraw/zinc/04/76/72/884047672.db2.gz QFDAOZBNBARPNY-ZFWWWQNUSA-N 0 0 376.482 3.872 10 0 GHAERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190240167 884059959 /nfs/dbraw/zinc/05/99/59/884059959.db2.gz WETLXPIJUKMCSB-RDGPPVDQSA-N 0 0 388.508 3.574 10 0 GHAERN O=C(c1ccccc1Cn1cncn1)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190273587 884063213 /nfs/dbraw/zinc/06/32/13/884063213.db2.gz IFSZHBGPDFWISG-HNNXBMFYSA-N 0 0 382.414 3.624 10 0 GHAERN O=C(Cc1cccc(Br)c1)N1CCC(Nc2nccs2)CC1 ZINC000190414692 884077691 /nfs/dbraw/zinc/07/76/91/884077691.db2.gz TUEWAUGXNLOBSV-UHFFFAOYSA-N 0 0 380.311 3.551 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC([C@@H]3CCCO3)CC2)c1C ZINC000190409384 884077855 /nfs/dbraw/zinc/07/78/55/884077855.db2.gz IFYGFWGSFOKZFK-INIZCTEOSA-N 0 0 380.872 3.858 10 0 GHAERN O=C(CCCOc1ccc(F)cc1F)N1CCC(Nc2nccs2)CC1 ZINC000190442933 884081658 /nfs/dbraw/zinc/08/16/58/884081658.db2.gz PCZGKELFLQOMGZ-UHFFFAOYSA-N 0 0 381.448 3.683 10 0 GHAERN O=C([C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190447778 884083307 /nfs/dbraw/zinc/08/33/07/884083307.db2.gz QQOKRDWUWACBQB-OLZOCXBDSA-N 0 0 381.423 3.767 10 0 GHAERN NC(=O)CSc1ccccc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191207363 884164291 /nfs/dbraw/zinc/16/42/91/884164291.db2.gz BZLNHAJONCZZEB-ZDUSSCGKSA-N 0 0 390.455 3.562 10 0 GHAERN COCCOc1cc(OC)ccc1-c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000191376124 884174794 /nfs/dbraw/zinc/17/47/94/884174794.db2.gz VHSNPDISQWWPIT-RDJZCZTQSA-N 0 0 376.453 3.689 10 0 GHAERN Cc1ccccc1C[C@@H](C)NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000193387493 884347323 /nfs/dbraw/zinc/34/73/23/884347323.db2.gz YTQSWDQRPILKRP-MJGOQNOKSA-N 0 0 377.492 3.558 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3csc(C(F)(F)F)n3)C2)c1 ZINC000193474556 884518108 /nfs/dbraw/zinc/51/81/08/884518108.db2.gz QTHCVHWKVFVVRC-SNVBAGLBSA-N 0 0 386.395 3.809 10 0 GHAERN O=C(CN1CCCCCC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000105477113 884790507 /nfs/dbraw/zinc/79/05/07/884790507.db2.gz XLZPCONOXJSORL-UHFFFAOYSA-N 0 0 383.414 3.647 10 0 GHAERN C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C)c1ccc(F)cc1 ZINC000003545704 885257578 /nfs/dbraw/zinc/25/75/78/885257578.db2.gz UJKSVVJFCBJWOB-LBPRGKRZSA-N 0 0 388.443 3.730 10 0 GHAERN CNC(=O)[C@H]1CCCN1C(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000104357689 885391408 /nfs/dbraw/zinc/39/14/08/885391408.db2.gz HUXDOIHJPOQGHT-HXUWFJFHSA-N 0 0 393.462 3.644 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1cccc(NC(=O)c2cccnc2)c1 ZINC000104459147 885452475 /nfs/dbraw/zinc/45/24/75/885452475.db2.gz YSBMNHCXZQYOPR-UHFFFAOYSA-N 0 0 389.455 3.657 10 0 GHAERN Cc1[nH]c(=S)sc1CC(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000101531937 885943854 /nfs/dbraw/zinc/94/38/54/885943854.db2.gz ZDUPRXJSKWOWEB-UHFFFAOYSA-N 0 0 377.466 3.810 10 0 GHAERN Cc1noc2nc(C)cc(C(=O)NCCc3coc(-c4ccc(F)cc4)n3)c12 ZINC000101531961 885943924 /nfs/dbraw/zinc/94/39/24/885943924.db2.gz QVMJAHQEVHEDMF-UHFFFAOYSA-N 0 0 380.379 3.606 10 0 GHAERN Cc1nnc([C@@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000104403611 886002413 /nfs/dbraw/zinc/00/24/13/886002413.db2.gz ALGSSMDYUAHLBR-IBGZPJMESA-N 0 0 382.851 3.635 10 0 GHAERN C[C@H](NC(=O)N1CCC(n2cncn2)CC1)c1nc(-c2ccccc2)cs1 ZINC000107395719 886048732 /nfs/dbraw/zinc/04/87/32/886048732.db2.gz PIJMRSLTDKDOQR-AWEZNQCLSA-N 0 0 382.493 3.509 10 0 GHAERN Cc1oncc1C(=O)N1CCC(C(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000115118857 886339531 /nfs/dbraw/zinc/33/95/31/886339531.db2.gz AZYRQQLLLCASGS-OAHLLOKOSA-N 0 0 375.513 3.700 10 0 GHAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)cc21 ZINC000116717868 886371311 /nfs/dbraw/zinc/37/13/11/886371311.db2.gz ABAHEQBRLFOBSB-UHFFFAOYSA-N 0 0 385.483 3.870 10 0 GHAERN O=C(C[C@H]1CCOc2ccccc21)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000117746115 886392745 /nfs/dbraw/zinc/39/27/45/886392745.db2.gz FDSYFOATOGNVBD-LJQANCHMSA-N 0 0 384.520 3.584 10 0 GHAERN Cn1ccnc1C[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000119147259 886430033 /nfs/dbraw/zinc/43/00/33/886430033.db2.gz DYZDCXYCGYOCKC-INIZCTEOSA-N 0 0 382.533 3.834 10 0 GHAERN CS(=O)(=O)CCc1ccc(NC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000119400953 886459606 /nfs/dbraw/zinc/45/96/06/886459606.db2.gz RLJHRHBUUVWKOM-UHFFFAOYSA-N 0 0 384.501 3.595 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3cccc(-n4ccnc4)c3)CCO2)o1 ZINC000120736117 886530055 /nfs/dbraw/zinc/53/00/55/886530055.db2.gz XKEMZCOLYCREAK-OXQOHEQNSA-N 0 0 380.448 3.618 10 0 GHAERN Cc1csc([C@H]2CCCCN2C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 ZINC000332843616 886554507 /nfs/dbraw/zinc/55/45/07/886554507.db2.gz DKVVUUMOZGEZNT-IAGOWNOFSA-N 0 0 392.569 3.583 10 0 GHAERN C[C@@H]1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)C[C@@H](C)O1 ZINC000041885272 886727992 /nfs/dbraw/zinc/72/79/92/886727992.db2.gz BPMMDCBJUYIZJD-QZTJIDSGSA-N 0 0 378.557 3.611 10 0 GHAERN CCOCCC1(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCCC1 ZINC000124421289 886746634 /nfs/dbraw/zinc/74/66/34/886746634.db2.gz NQGSEZXBBHQLFK-UHFFFAOYSA-N 0 0 378.557 3.615 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c2ccccc2F)no1 ZINC000124696415 886785777 /nfs/dbraw/zinc/78/57/77/886785777.db2.gz JYJAROOVRUTROK-KPZWWZAWSA-N 0 0 384.411 3.715 10 0 GHAERN O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCC[C@H]1c1cccs1 ZINC000042666440 886799032 /nfs/dbraw/zinc/79/90/32/886799032.db2.gz CBNPISOOSUYMQN-SFHVURJKSA-N 0 0 383.517 3.760 10 0 GHAERN Cc1noc(-c2ccccc2)c1NC(=O)N1CCC(Cc2nccn2C)CC1 ZINC000126247397 886948486 /nfs/dbraw/zinc/94/84/86/886948486.db2.gz MMRSYLZJZJDZSF-UHFFFAOYSA-N 0 0 379.464 3.870 10 0 GHAERN Cn1ccnc1[C@@H](O)C1CCN(C(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000126499807 886973885 /nfs/dbraw/zinc/97/38/85/886973885.db2.gz RKZZHIOBNFKDQV-DLBZAZTESA-N 0 0 390.553 3.724 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccccc2O[C@H]2CCOC2)cc1 ZINC000127395278 887057867 /nfs/dbraw/zinc/05/78/67/887057867.db2.gz HMFHEDLEPBYKKO-FPOVZHCZSA-N 0 0 396.487 3.639 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)N2CCCN(C(=O)c3cccs3)CC2)s1 ZINC000127951437 887128718 /nfs/dbraw/zinc/12/87/18/887128718.db2.gz GVDOGPFDKMVTBO-AWEZNQCLSA-N 0 0 391.562 3.607 10 0 GHAERN Cc1c([C@H](C)N[C@H](c2nccn2C)c2cccc(F)c2)cnn1-c1ccccn1 ZINC000128360564 887176467 /nfs/dbraw/zinc/17/64/67/887176467.db2.gz ZOLWUJCILBJYGE-BTYIYWSLSA-N 0 0 390.466 3.889 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1F ZINC000128569471 887201836 /nfs/dbraw/zinc/20/18/36/887201836.db2.gz WHZVUHUGFHIQOS-KAMXEHQASA-N 0 0 398.482 3.572 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1F ZINC000128569702 887202234 /nfs/dbraw/zinc/20/22/34/887202234.db2.gz WHZVUHUGFHIQOS-QXLXQBSBSA-N 0 0 398.482 3.572 10 0 GHAERN CCOc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1OC ZINC000046512448 887206363 /nfs/dbraw/zinc/20/63/63/887206363.db2.gz UQMQOWGATJIRDB-UHFFFAOYSA-N 0 0 388.489 3.646 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000105006955 887237879 /nfs/dbraw/zinc/23/78/79/887237879.db2.gz QZPYSEFZLQGDST-UHFFFAOYSA-N 0 0 383.492 3.787 10 0 GHAERN CC(C)Oc1ccc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000048458543 887454537 /nfs/dbraw/zinc/45/45/37/887454537.db2.gz JMDJAVRWFJWHBB-INIZCTEOSA-N 0 0 379.464 3.928 10 0 GHAERN O=C1CCCN1Cc1nnc(SCc2ncc(-c3ccccc3Cl)o2)o1 ZINC000133154943 887734023 /nfs/dbraw/zinc/73/40/23/887734023.db2.gz UYFNTNONNSNXRB-UHFFFAOYSA-N 0 0 390.852 3.793 10 0 GHAERN CCCN(C(=O)c1cccs1)C1CCN(C(=O)N[C@@H](C)CC2CC2)CC1 ZINC000133403612 887762593 /nfs/dbraw/zinc/76/25/93/887762593.db2.gz GTGLARNVOTZKHU-HNNXBMFYSA-N 0 0 377.554 3.963 10 0 GHAERN CCn1cnnc1-c1ccccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000133726024 887793572 /nfs/dbraw/zinc/79/35/72/887793572.db2.gz ZSKYTCMPMJVFJT-UHFFFAOYSA-N 0 0 396.520 3.817 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)CCc3nc(-c4ccc(F)c(C)c4)no3)CCO2)o1 ZINC000133743979 887795288 /nfs/dbraw/zinc/79/52/88/887795288.db2.gz KNHZYUQPSNKEEN-SFHVURJKSA-N 0 0 399.422 3.618 10 0 GHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134347643 887862660 /nfs/dbraw/zinc/86/26/60/887862660.db2.gz STJMQNDTTHECAG-CXAGYDPISA-N 0 0 387.867 3.714 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000134366810 887863843 /nfs/dbraw/zinc/86/38/43/887863843.db2.gz KNEVJVVGKVFNIB-RXVVDRJESA-N 0 0 391.471 3.798 10 0 GHAERN O=C(Nc1cccc(OCC(F)(F)F)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000137054845 888329031 /nfs/dbraw/zinc/32/90/31/888329031.db2.gz RHYGNSDNZFBJNU-MRXNPFEDSA-N 0 0 381.354 3.708 10 0 GHAERN CCCC(=O)Nc1cccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)c1C ZINC000137216390 888343655 /nfs/dbraw/zinc/34/36/55/888343655.db2.gz IDYYXGRQVVYTAP-KRWDZBQOSA-N 0 0 382.464 3.814 10 0 GHAERN CCNC(=O)COc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000105353103 888393957 /nfs/dbraw/zinc/39/39/57/888393957.db2.gz YEZXSOGDLLGRJB-UHFFFAOYSA-N 0 0 385.464 3.771 10 0 GHAERN COc1ccccc1N1CCC(NC(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000138613175 888413511 /nfs/dbraw/zinc/41/35/11/888413511.db2.gz AAXJWKLDDODXDI-REWPJTCUSA-N 0 0 394.515 3.948 10 0 GHAERN Cc1nnc([C@H](NC(=O)CCc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057798768 888413739 /nfs/dbraw/zinc/41/37/39/888413739.db2.gz SYDCMPQRACPJER-LJQANCHMSA-N 0 0 377.473 3.561 10 0 GHAERN O=C(c1cccn1Cc1cccs1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000194483342 888590753 /nfs/dbraw/zinc/59/07/53/888590753.db2.gz YXMKBWNLVIYJMK-UHFFFAOYSA-N 0 0 399.560 3.853 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NCc1nnc2n1CCCC2 ZINC000194564024 888595522 /nfs/dbraw/zinc/59/55/22/888595522.db2.gz XUXRKBLNIYREQO-SDNWHVSQSA-N 0 0 388.471 3.523 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@H](c2nccs2)C1 ZINC000195354375 888655142 /nfs/dbraw/zinc/65/51/42/888655142.db2.gz DFVSJTDUENWAMV-KRWDZBQOSA-N 0 0 395.532 3.764 10 0 GHAERN CC1(C)[C@H](NC(=O)Nc2ccc(OCc3ccccn3)c(F)c2)[C@@H]2CCO[C@H]21 ZINC000245433316 888752420 /nfs/dbraw/zinc/75/24/20/888752420.db2.gz PUCNIYRAXVDYKJ-KFKAGJAMSA-N 0 0 385.439 3.735 10 0 GHAERN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)cn1 ZINC000245595348 889037599 /nfs/dbraw/zinc/03/75/99/889037599.db2.gz RPDBFRPMFYJOQE-ZNMIVQPWSA-N 0 0 389.858 3.580 10 0 GHAERN CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(OC)cc1 ZINC000245839647 889837756 /nfs/dbraw/zinc/83/77/56/889837756.db2.gz JKTILJNYJOKNES-VOQZNFBZSA-N 0 0 381.520 3.611 10 0 GHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c1 ZINC000245920454 890016598 /nfs/dbraw/zinc/01/65/98/890016598.db2.gz GUYGAZJRDDDQES-DBXWQHBBSA-N 0 0 399.535 3.591 10 0 GHAERN COc1cc(-c2noc(CN3CCC[C@H]3C[C@@H](O)c3ccco3)n2)ccc1C ZINC000245947425 890058734 /nfs/dbraw/zinc/05/87/34/890058734.db2.gz OJQVTANZVDHBDG-DLBZAZTESA-N 0 0 383.448 3.735 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 ZINC000245984606 890127498 /nfs/dbraw/zinc/12/74/98/890127498.db2.gz JPZMRCTUWUNZBL-CIAFKFPVSA-N 0 0 389.499 3.649 10 0 GHAERN C[C@H](CC(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1)NC(=O)C1CCCCC1 ZINC000246186444 890617611 /nfs/dbraw/zinc/61/76/11/890617611.db2.gz HUFIIYAXEFLSPD-KBAYOESNSA-N 0 0 392.565 3.638 10 0 GHAERN O=C([C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246280857 890929853 /nfs/dbraw/zinc/92/98/53/890929853.db2.gz AIYNMHGPLACPDY-BPQIPLTHSA-N 0 0 397.437 3.996 10 0 GHAERN Cc1occc1C(=O)NC1CCN(C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000066479946 891114383 /nfs/dbraw/zinc/11/43/83/891114383.db2.gz WPIVPWCIDXEGII-LXPKZCDLSA-N 0 0 382.460 3.739 10 0 GHAERN Cc1c(C(=O)N2CCC[C@H](c3nccs3)C2)nnn1-c1ccccc1Cl ZINC000067047724 891141055 /nfs/dbraw/zinc/14/10/55/891141055.db2.gz WQIHLROWPKTRFL-ZDUSSCGKSA-N 0 0 387.896 3.705 10 0 GHAERN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC000067719180 891161373 /nfs/dbraw/zinc/16/13/73/891161373.db2.gz AOXCSILGENUKAC-INIZCTEOSA-N 0 0 391.427 3.676 10 0 GHAERN COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246491903 891281264 /nfs/dbraw/zinc/28/12/64/891281264.db2.gz MFTACRBTRCXESX-HHXXYDBFSA-N 0 0 389.517 3.777 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC[C@H](CCO)c3ccccc3)C2)cc1 ZINC000247229991 891357722 /nfs/dbraw/zinc/35/77/22/891357722.db2.gz ORQMTGQVNZTTSV-JRGCBEDISA-N 0 0 382.504 3.749 10 0 GHAERN COc1ccc([C@H](C)N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000248086507 891409309 /nfs/dbraw/zinc/40/93/09/891409309.db2.gz DRHMMQJNSOEIIO-INIZCTEOSA-N 0 0 398.478 3.906 10 0 GHAERN Cc1cccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1NC(=O)c1ccncc1 ZINC000248110555 891409428 /nfs/dbraw/zinc/40/94/28/891409428.db2.gz BYFNGLJVHDIFAR-TUNNFDKTSA-N 0 0 383.451 3.710 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H](C)C2)c2ccc(F)cc2C1 ZINC000248617465 891444696 /nfs/dbraw/zinc/44/46/96/891444696.db2.gz JLGVQYIIAZYFPU-KKVAFCGZSA-N 0 0 375.488 3.745 10 0 GHAERN CCCc1cc(=O)n2nc(N3C[C@@H](c4cc(C)ccc4C)OC[C@H]3C)sc2n1 ZINC000248668104 891455694 /nfs/dbraw/zinc/45/56/94/891455694.db2.gz QRTIRXHPUQORGE-QAPCUYQASA-N 0 0 398.532 3.687 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248702060 891460129 /nfs/dbraw/zinc/46/01/29/891460129.db2.gz FMSVCUCLWVTURP-OWYVNGRQSA-N 0 0 387.224 3.806 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000248723652 891461501 /nfs/dbraw/zinc/46/15/01/891461501.db2.gz MNXNPVYFAYTURX-GKCIPKSASA-N 0 0 375.488 3.839 10 0 GHAERN CC(=O)CC(C)(C)CC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248866998 891476489 /nfs/dbraw/zinc/47/64/89/891476489.db2.gz CFMSLJDBLAZZIK-KXBFYZLASA-N 0 0 382.907 3.984 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](C)CC2)c2ccc(F)cc2C1 ZINC000249070152 891492386 /nfs/dbraw/zinc/49/23/86/891492386.db2.gz JMWQWDFIPUUHPE-QMIHWGKISA-N 0 0 375.488 3.887 10 0 GHAERN Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249141864 891498691 /nfs/dbraw/zinc/49/86/91/891498691.db2.gz YDDHFDFWJHSDGR-USXIJHARSA-N 0 0 376.522 3.508 10 0 GHAERN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H](c1cccs1)C(C)(C)C)CC2 ZINC000249438129 891507909 /nfs/dbraw/zinc/50/79/09/891507909.db2.gz LHVQIMMHHHMYTR-GVDBMIGSSA-N 0 0 380.554 3.797 10 0 GHAERN CC[C@]1(c2ccc(N[C@@H](C)c3ccc([S@@](C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000252734127 891732240 /nfs/dbraw/zinc/73/22/40/891732240.db2.gz SKNBCHSISUKMJB-GKFXPGOXSA-N 0 0 398.528 3.682 10 0 GHAERN CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C12CCOCC2 ZINC000332960064 893375494 /nfs/dbraw/zinc/37/54/94/893375494.db2.gz STNMUOMJFKABNG-RBSFLKMASA-N 0 0 392.462 3.581 10 0 GHAERN CCCN(C(=O)NCCc1nc(C)no1)[C@H](C)c1ccccc1Br ZINC000102034824 897990738 /nfs/dbraw/zinc/99/07/38/897990738.db2.gz CNIVUYIARORECY-GFCCVEGCSA-N 0 0 395.301 3.866 10 0 GHAERN O=C(NCCc1coc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccncc1 ZINC000102567579 898015145 /nfs/dbraw/zinc/01/51/45/898015145.db2.gz HITPXHIJRJDOLV-LJQANCHMSA-N 0 0 380.423 3.965 10 0 GHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000102902816 898047486 /nfs/dbraw/zinc/04/74/86/898047486.db2.gz CUMMBGZPYRURMN-JXFKEZNVSA-N 0 0 381.476 3.820 10 0 GHAERN CN(C[C@H]1CCCO1)C(=O)CSc1nnc(-c2ccc3ccccc3c2)o1 ZINC000105598704 898213428 /nfs/dbraw/zinc/21/34/28/898213428.db2.gz OPJHSTREMGFRLX-QGZVFWFLSA-N 0 0 383.473 3.619 10 0 GHAERN Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)[C@H]3CCc4ccccc43)c12 ZINC000333047891 899919594 /nfs/dbraw/zinc/91/95/94/899919594.db2.gz AIDQDYBZAPHIQV-HKUYNNGSSA-N 0 0 390.487 3.896 10 0 GHAERN O=C(Nc1cc(Cl)ccc1N1CCSCC1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333886708 902399170 /nfs/dbraw/zinc/39/91/70/902399170.db2.gz FZAVIKDMAADDMZ-DZKIICNBSA-N 0 0 395.956 3.518 10 0 GHAERN O=C(Nc1nc2c(s1)CCCC2)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000180019004 906662661 /nfs/dbraw/zinc/66/26/61/906662661.db2.gz KITPEAMJIAXDPS-AWEZNQCLSA-N 0 0 386.525 3.709 10 0 GHAERN COc1cc(Br)cc(C)c1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181273604 906959298 /nfs/dbraw/zinc/95/92/98/906959298.db2.gz PIYLPHGXIHEHRX-GFCCVEGCSA-N 0 0 394.273 3.643 10 0 GHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000183071105 907320416 /nfs/dbraw/zinc/32/04/16/907320416.db2.gz NUWIZQVFHFCZNG-GOSISDBHSA-N 0 0 393.495 3.932 10 0 GHAERN CC(C)(C)OC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c(F)c1 ZINC000183421948 907385884 /nfs/dbraw/zinc/38/58/84/907385884.db2.gz DUVNIYKDYAOIGL-HNNXBMFYSA-N 0 0 389.431 3.658 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1cc3c(cc1Cl)OCCO3)C2 ZINC000183435873 907388331 /nfs/dbraw/zinc/38/83/31/907388331.db2.gz URNZZYRNAGJQNV-UHFFFAOYSA-N 0 0 390.871 3.558 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cs1 ZINC000186811870 907987131 /nfs/dbraw/zinc/98/71/31/907987131.db2.gz DQBOECPYDVGXPK-ZBFHGGJFSA-N 0 0 394.541 3.601 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)c1ccc(F)c(F)c1 ZINC000187376607 908083615 /nfs/dbraw/zinc/08/36/15/908083615.db2.gz ITPNXJNHQLEJPA-RDJZCZTQSA-N 0 0 381.448 3.964 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(CCC(F)(F)F)cc2)C1 ZINC000189444530 908324618 /nfs/dbraw/zinc/32/46/18/908324618.db2.gz SHBVPSQDHAFQEP-LSDHHAIUSA-N 0 0 398.385 3.867 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(=O)NCCc2nc3ccccc3s2)cs1 ZINC000189765328 908373378 /nfs/dbraw/zinc/37/33/78/908373378.db2.gz SHSFSOLBTOSOJC-INIZCTEOSA-N 0 0 386.546 3.557 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)C1 ZINC000190127152 908432574 /nfs/dbraw/zinc/43/25/74/908432574.db2.gz CPFLYFYBWUNKFH-CVEARBPZSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)C1 ZINC000190127168 908432766 /nfs/dbraw/zinc/43/27/66/908432766.db2.gz CPFLYFYBWUNKFH-HOTGVXAUSA-N 0 0 399.476 3.804 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Br)c(Cl)s2)C1 ZINC000191537096 908638856 /nfs/dbraw/zinc/63/88/56/908638856.db2.gz LEWYCKPRNHBTFH-GZMMTYOYSA-N 0 0 392.706 3.817 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(F)c(Cl)c3)CCO2)cn1 ZINC000191585466 908646125 /nfs/dbraw/zinc/64/61/25/908646125.db2.gz YIKZMDNQJYZEQF-YVEFUNNKSA-N 0 0 380.851 3.540 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCCOc4cc(F)ccc43)CCO2)n1 ZINC000194349363 908938364 /nfs/dbraw/zinc/93/83/64/908938364.db2.gz WQPPNPKADCUARX-WBVHZDCISA-N 0 0 391.468 3.587 10 0 GHAERN CCn1c(SCc2nc(-c3cccc(OC)c3)no2)nnc1-c1ccncc1 ZINC000360208960 916003110 /nfs/dbraw/zinc/00/31/10/916003110.db2.gz LNLVRELWQPYRKF-UHFFFAOYSA-N 0 0 394.460 3.711 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000371523595 924629686 /nfs/dbraw/zinc/62/96/86/924629686.db2.gz JFFVPQRSLZQJSP-HZPDHXFCSA-N 0 0 381.398 3.646 10 0 GHAERN Cc1ccccc1C1=CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000375219851 928053160 /nfs/dbraw/zinc/05/31/60/928053160.db2.gz SQYNXYVKUNPBIE-HXUWFJFHSA-N 0 0 381.497 3.572 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N([C@H](C)C(C)C)C2CC2)c2ccc(F)cc2C1 ZINC000185253200 1014577487 /nfs/dbraw/zinc/57/74/87/1014577487.db2.gz OOQCQNYSDFMLGC-VLIAUNLRSA-N 0 0 375.488 3.838 10 0 GHAERN NC(=O)c1cc2c(s1)c(N)ncc2-c1cccc(NC(=O)c2ccccc2)c1 ZINC000211869486 222572078 /nfs/dbraw/zinc/57/20/78/222572078.db2.gz NGAHGZBYHPUYOM-UHFFFAOYSA-N 0 0 388.452 3.897 10 0 GHAERN C[C@@H](CCCO)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000504132051 231292574 /nfs/dbraw/zinc/29/25/74/231292574.db2.gz WKLORKLFLMTHHY-HKQRFGJUSA-N 0 0 392.580 3.565 10 0 GHAERN COC(=O)[C@@H](CC(C)C)NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000334162212 212108235 /nfs/dbraw/zinc/10/82/35/212108235.db2.gz PVBBMXBWDSTCES-LJQANCHMSA-N 0 0 393.439 3.778 10 0 GHAERN Cn1c(=O)c(CSc2ccc(Br)cc2)nnc1-c1ccccc1 ZINC000334163024 212108200 /nfs/dbraw/zinc/10/82/00/212108200.db2.gz UPZCAAAKKGLFFK-UHFFFAOYSA-N 0 0 388.290 3.897 10 0 GHAERN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1Br ZINC000007306184 220993142 /nfs/dbraw/zinc/99/31/42/220993142.db2.gz OZRFLQMASAJTPB-GFCCVEGCSA-N 0 0 380.307 3.977 10 0 GHAERN C[C@H](Cc1cccnc1)NC(=O)c1coc(COc2ccc3ncccc3c2)n1 ZINC000011818358 221128282 /nfs/dbraw/zinc/12/82/82/221128282.db2.gz UNRFMYJCRAXMQX-OAHLLOKOSA-N 0 0 388.427 3.558 10 0 GHAERN Cn1ccc(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)c1 ZINC000011706000 221122358 /nfs/dbraw/zinc/12/23/58/221122358.db2.gz YOAQVUDOUFSMFC-IBGZPJMESA-N 0 0 380.467 3.722 10 0 GHAERN CCCc1cc(C(=O)NC[C@H]2Cc3c(c(-c4ccncc4)ccc3F)O2)no1 ZINC000014987151 221325348 /nfs/dbraw/zinc/32/53/48/221325348.db2.gz GPRVPQRLLSSGBO-OAHLLOKOSA-N 0 0 381.407 3.562 10 0 GHAERN Cc1cccc([C@H]2CCCN(C(=O)Nc3ccc4c(c3)N(C)C(=O)CO4)C2)c1 ZINC000096161141 136184634 /nfs/dbraw/zinc/18/46/34/136184634.db2.gz NNEXFASERMWHJB-KRWDZBQOSA-N 0 0 379.460 3.762 10 0 GHAERN Clc1cc(-c2cnn3cc(-c4ccc(N5CCOCC5)cc4)cnc23)ccn1 ZINC000096270783 136186091 /nfs/dbraw/zinc/18/60/91/136186091.db2.gz OBHNWKOQLJZZQW-UHFFFAOYSA-N 0 0 391.862 3.948 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(Cn2c3cc(C)c(C)cc3nc(C)c2=O)cc1 ZINC000033005962 221763097 /nfs/dbraw/zinc/76/30/97/221763097.db2.gz IDWPJOCHYROEJV-INIZCTEOSA-N 0 0 377.488 3.898 10 0 GHAERN CCN(CC)S(=O)(=O)c1ccc2nc(NCCC3=CCCCC3)cnc2c1 ZINC000033301599 221785908 /nfs/dbraw/zinc/78/59/08/221785908.db2.gz LVHNBTZSIOFSQH-UHFFFAOYSA-N 0 0 388.537 3.963 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)Nc3ccc(C)cc3)C[C@H]2C(=O)NC(C)C)c1 ZINC000036045953 221839360 /nfs/dbraw/zinc/83/93/60/221839360.db2.gz CEGNPDJRUMSFHY-LEWJYISDSA-N 0 0 395.503 3.776 10 0 GHAERN COc1ccc([C@@H]2CN(C(=O)CC(C)(C)C)C[C@H]2C(=O)N2CCCCC2)cc1 ZINC000036041827 221839567 /nfs/dbraw/zinc/83/95/67/221839567.db2.gz PPVMHSVCPCAESM-VQTJNVASSA-N 0 0 386.536 3.686 10 0 GHAERN CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1Cl ZINC000040394973 221921349 /nfs/dbraw/zinc/92/13/49/221921349.db2.gz HTKDZZULNSMOEM-UHFFFAOYSA-N 0 0 394.924 3.712 10 0 GHAERN CC[C@H](C)NC(=O)c1c(=O)n(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000065000057 222093366 /nfs/dbraw/zinc/09/33/66/222093366.db2.gz UJHHWMIDPFMPAU-ZDUSSCGKSA-N 0 0 384.451 3.660 10 0 GHAERN O=C(NCc1csc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1)C1CCC1 ZINC000065173291 222106422 /nfs/dbraw/zinc/10/64/22/222106422.db2.gz KKEYJSQLFRUPRQ-QGZVFWFLSA-N 0 0 389.565 3.846 10 0 GHAERN CCN(CC)C(=O)c1sc2nc(-c3ccccc3)c(NCCOC)n2c1C ZINC000064761338 222082514 /nfs/dbraw/zinc/08/25/14/222082514.db2.gz KHRDGZLQVROXBP-UHFFFAOYSA-N 0 0 386.521 3.912 10 0 GHAERN COCCc1noc(-c2cnc3nc(C)ccc3c2Nc2ccc(OC)cc2)n1 ZINC000065250676 222116771 /nfs/dbraw/zinc/11/67/71/222116771.db2.gz JUWBAOSFFLEKAG-UHFFFAOYSA-N 0 0 391.431 3.929 10 0 GHAERN COc1nc2ccccc2nc1N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095076522 222328827 /nfs/dbraw/zinc/32/88/27/222328827.db2.gz GUAKTFIYDGLBSG-HNNXBMFYSA-N 0 0 386.496 3.722 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074906 222328854 /nfs/dbraw/zinc/32/88/54/222328854.db2.gz FCVDCLKLGJCYSM-GFCCVEGCSA-N 0 0 375.300 3.615 10 0 GHAERN O[C@@H]1CCCN(c2nc3ccccc3n2Cc2ccc(Br)cc2)C1 ZINC000095078252 222329283 /nfs/dbraw/zinc/32/92/83/222329283.db2.gz WEKUOWQTJJIIFO-MRXNPFEDSA-N 0 0 386.293 3.808 10 0 GHAERN CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000095845469 222360843 /nfs/dbraw/zinc/36/08/43/222360843.db2.gz DIUHLSNBUJPEQZ-GUYCJALGSA-N 0 0 384.270 3.763 10 0 GHAERN CCOC(=O)C(C(=O)OCC)[C@@H](CC(=O)c1ccccc1)c1ccc(OC)cc1 ZINC000095932806 222361558 /nfs/dbraw/zinc/36/15/58/222361558.db2.gz JDAIVLFIGNHSJE-IBGZPJMESA-N 0 0 398.455 3.794 10 0 GHAERN Cc1nn(C)c(NC(=O)N2CCC(Cn3cccn3)CC2)c1-c1ccccc1 ZINC000096165699 222395936 /nfs/dbraw/zinc/39/59/36/222395936.db2.gz YONCQYJQTVKIKB-UHFFFAOYSA-N 0 0 378.480 3.536 10 0 GHAERN CN1c2c(ccc3cc4c(cc32)OCO4)-c2ccc3c(c2[C@H]1CCO)OCO3 ZINC000000900890 560179668 /nfs/dbraw/zinc/17/96/68/560179668.db2.gz GSEHWAORUDPHTL-MRXNPFEDSA-N 0 0 377.396 3.838 10 0 in-vitro GHAERN CC(C)CNC(=O)c1ccc(CN2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000034668653 570292966 /nfs/dbraw/zinc/29/29/66/570292966.db2.gz BSMVLUFXZYTPLP-UHFFFAOYSA-N 0 0 375.900 3.641 10 0 GHAERN Cc1cc(C)c2c(c1)nc(-c1cnc(N)nc1)cc2C(=O)N[C@@H](C)C(F)(F)F ZINC000023429060 570362003 /nfs/dbraw/zinc/36/20/03/570362003.db2.gz SRLYRXHPRMLOAJ-NSHDSACASA-N 0 0 389.381 3.571 10 0 GHAERN C[C@H]1CCCC[C@H]1NC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000004575610 570385703 /nfs/dbraw/zinc/38/57/03/570385703.db2.gz SJSJFFFPGAOERB-QXATTWAWSA-N 0 0 379.460 3.579 10 0 GHAERN Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(NCCC(C)C)n2n1 ZINC000006805500 570494586 /nfs/dbraw/zinc/49/45/86/570494586.db2.gz YDRJLYXWXQGYPA-UHFFFAOYSA-N 0 0 377.496 3.861 10 0 GHAERN CCOCCCNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000022668495 570500859 /nfs/dbraw/zinc/50/08/59/570500859.db2.gz VLMWOQNBZXDEOR-UHFFFAOYSA-N 0 0 379.460 3.909 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1NC(=O)C1CC1 ZINC000040455864 570584963 /nfs/dbraw/zinc/58/49/63/570584963.db2.gz BBNACUPEGLVNLQ-UHFFFAOYSA-N 0 0 388.471 3.801 10 0 GHAERN CCOCCOc1nc(-c2ccco2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000006801064 570603602 /nfs/dbraw/zinc/60/36/02/570603602.db2.gz ZKTVYFHNVHPJLP-UHFFFAOYSA-N 0 0 396.447 3.681 10 0 GHAERN Fc1cccc2[nH]c(CN3CCCC[C@H]3c3nnc(C4CCOCC4)o3)nc21 ZINC000583621735 570801899 /nfs/dbraw/zinc/80/18/99/570801899.db2.gz DNRPGGJXGABCLC-INIZCTEOSA-N 0 0 385.443 3.706 10 0 GHAERN O=C(c1cccc(OC[C@H]2CCCN(C(=O)C3CCCC3)C2)c1)N1CCCC1 ZINC000033311441 570970985 /nfs/dbraw/zinc/97/09/85/570970985.db2.gz QYXYPKVRFJTDOI-SFHVURJKSA-N 0 0 384.520 3.730 10 0 GHAERN O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176413530 837578014 /nfs/dbraw/zinc/57/80/14/837578014.db2.gz YNFCMQBGZVLWFS-KRWDZBQOSA-N 0 0 398.894 3.797 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000156621744 834476746 /nfs/dbraw/zinc/47/67/46/834476746.db2.gz ZWTMAYNKWHADIX-YSYFUTBUSA-N 0 0 378.472 3.701 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000113299622 837812840 /nfs/dbraw/zinc/81/28/40/837812840.db2.gz YWWZUNXSRQZMFX-UHFFFAOYSA-N 0 0 388.320 3.597 10 0 GHAERN O=C1[C@@H]2C[C@H]3CCCC[C@@H]3N2C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000329391762 834959004 /nfs/dbraw/zinc/95/90/04/834959004.db2.gz VNJPTJJFDOISCC-KBMXLJTQSA-N 0 0 390.867 3.597 10 0 GHAERN COCCn1c(C)c(C)nc1[S@@](=O)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000108070566 835050883 /nfs/dbraw/zinc/05/08/83/835050883.db2.gz ADEGBKMLWWLRGV-AREMUKBSSA-N 0 0 393.896 3.763 10 0 GHAERN Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)Nc3nc4ccc(F)cc4s3)C2)c1 ZINC000246937838 835142329 /nfs/dbraw/zinc/14/23/29/835142329.db2.gz AYGJKXXTEGDCPM-UKRRQHHQSA-N 0 0 387.484 3.604 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)Cc3csc(-c4cccs4)n3)CC2)nc1 ZINC000157941875 835163262 /nfs/dbraw/zinc/16/32/62/835163262.db2.gz XRSDQOZCXKHUPX-UHFFFAOYSA-N 0 0 398.557 3.903 10 0 GHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000158548595 835421851 /nfs/dbraw/zinc/42/18/51/835421851.db2.gz IRZQUFMRAGKVNQ-SFHVURJKSA-N 0 0 398.898 3.786 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245609351 844080867 /nfs/dbraw/zinc/08/08/67/844080867.db2.gz APKAEBFMTJADJA-NQYLQCIDSA-N 0 0 378.900 3.890 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@H](C)c3ccc(NC(=O)C4CC4)cc3)CCO2)o1 ZINC000159223519 835775865 /nfs/dbraw/zinc/77/58/65/835775865.db2.gz PPFDLEWBQMEQKV-QRWLVFNGSA-N 0 0 397.475 3.781 10 0 GHAERN Brc1ccc([C@@H]2C[C@@H]2c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000329737581 835820801 /nfs/dbraw/zinc/82/08/01/835820801.db2.gz TWECFWYBYHINMF-UGUYLWEFSA-N 0 0 390.281 3.639 10 0 GHAERN CN1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000246003895 835868272 /nfs/dbraw/zinc/86/82/72/835868272.db2.gz SCYVVAMSPQWOCZ-FHWLQOOXSA-N 0 0 387.915 3.745 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)NC3CCC(C(F)(F)F)CC3)c2)C[C@H](C)O1 ZINC000333168756 844098187 /nfs/dbraw/zinc/09/81/87/844098187.db2.gz JUGWVSKYJJRKAV-DGKWVBSXSA-N 0 0 385.430 3.546 10 0 GHAERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)N[C@H]1CCSc2ccc(F)cc21 ZINC000246263066 836154500 /nfs/dbraw/zinc/15/45/00/836154500.db2.gz JVVYWFVLYOCMMV-XUWXXGDYSA-N 0 0 382.526 3.717 10 0 GHAERN CC(C)c1nnc([C@@H]2COCCN2C(=O)c2csc3c2CC[C@H](C)C3)o1 ZINC000275226480 836422634 /nfs/dbraw/zinc/42/26/34/836422634.db2.gz AFEOERDVIQRPQV-WFASDCNBSA-N 0 0 375.494 3.593 10 0 GHAERN O=C(NC[C@H]1CCCn2ccnc21)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332691702 836453307 /nfs/dbraw/zinc/45/33/07/836453307.db2.gz TYQWOPYIWCWTNH-SJLPKXTDSA-N 0 0 380.492 3.896 10 0 GHAERN CC(=O)N[C@@H](CC(=O)N1CCCC[C@H]1c1nc(C)cs1)c1cccs1 ZINC000332753086 836542196 /nfs/dbraw/zinc/54/21/96/836542196.db2.gz GQXKWYLHVPWQLW-GJZGRUSLSA-N 0 0 377.535 3.834 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000332768451 836567103 /nfs/dbraw/zinc/56/71/03/836567103.db2.gz JGWBGLSAJMRCIU-LFGUQSLTSA-N 0 0 391.556 3.889 10 0 GHAERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000332831231 836725477 /nfs/dbraw/zinc/72/54/77/836725477.db2.gz FCSZYIPVMPVWPS-ZTNFWEORSA-N 0 0 379.508 3.785 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N(C)[C@@H](c3ccccc3)C(C)C)C2)nn1 ZINC000332901163 836939071 /nfs/dbraw/zinc/93/90/71/836939071.db2.gz QRDJOTVDPDQBAS-TZIWHRDSSA-N 0 0 381.524 3.793 10 0 GHAERN NC(=O)CSc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103299867 837299655 /nfs/dbraw/zinc/29/96/55/837299655.db2.gz CYPQRBHGEFGFNP-FQEVSTJZSA-N 0 0 392.484 3.570 10 0 GHAERN C[C@H]1Oc2ccc(NC(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2NC1=O ZINC000103315396 837302880 /nfs/dbraw/zinc/30/28/80/837302880.db2.gz HJJOKVVPUXUFPM-VLIAUNLRSA-N 0 0 388.427 3.712 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1cc(F)cc(Cl)c1)CCCC2 ZINC000407953283 838238696 /nfs/dbraw/zinc/23/86/96/838238696.db2.gz BMMNMXDQRHMEJA-QGZVFWFLSA-N 0 0 397.903 3.617 10 0 GHAERN CCc1nccn1[C@H]1CCCN(C(=O)NCc2ccc(Br)cc2)C1 ZINC000152962271 838351107 /nfs/dbraw/zinc/35/11/07/838351107.db2.gz ZVWOXOKRXZULEZ-INIZCTEOSA-N 0 0 391.313 3.755 10 0 GHAERN CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328680306 838448116 /nfs/dbraw/zinc/44/81/16/838448116.db2.gz BYEAKJMCMJHBJO-YJYMSZOUSA-N 0 0 378.879 3.889 10 0 GHAERN O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000303583141 839076872 /nfs/dbraw/zinc/07/68/72/839076872.db2.gz FJNJNLVAVQLWMD-CZUORRHYSA-N 0 0 389.908 3.903 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)cc1C ZINC000333245939 844413869 /nfs/dbraw/zinc/41/38/69/844413869.db2.gz QXAZTHNJPAOTAZ-RPWFAHAXSA-N 0 0 391.537 3.657 10 0 GHAERN CC(C)c1nc(C2CCN(C(=O)[C@H]3SCCc4sccc43)CC2)no1 ZINC000408080220 839241893 /nfs/dbraw/zinc/24/18/93/839241893.db2.gz MFMLBUGVCGKBPK-HNNXBMFYSA-N 0 0 377.535 3.991 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(C(=O)NCC3(c4ccc(F)cc4)CCC3)C2)n1 ZINC000117042189 839539187 /nfs/dbraw/zinc/53/91/87/839539187.db2.gz UAQOEUPSTNKUGI-SFHVURJKSA-N 0 0 399.514 3.578 10 0 GHAERN Cc1nc([C@H](C)N2CCC(N(C)C(=O)c3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000377656562 839908705 /nfs/dbraw/zinc/90/87/05/839908705.db2.gz WIQMCQYCKLWTBB-LBPRGKRZSA-N 0 0 396.413 3.694 10 0 GHAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NCc1ccc(Cl)cn1 ZINC000588384795 839956790 /nfs/dbraw/zinc/95/67/90/839956790.db2.gz YPENNIYRDSETGR-FPLPWBNLSA-N 0 0 387.686 3.588 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000110622467 840601530 /nfs/dbraw/zinc/60/15/30/840601530.db2.gz CJZNOCLAUMCROC-GJZGRUSLSA-N 0 0 387.270 3.994 10 0 GHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000119427766 841064331 /nfs/dbraw/zinc/06/43/31/841064331.db2.gz WXEFUDDWSMGFPY-HXUWFJFHSA-N 0 0 380.488 3.636 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000408127855 841075829 /nfs/dbraw/zinc/07/58/29/841075829.db2.gz HEUXECXVLLMTOT-OWYHZJEWSA-N 0 0 376.472 3.765 10 0 GHAERN C[C@H](NC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000152300853 841231117 /nfs/dbraw/zinc/23/11/17/841231117.db2.gz KGJRCWGUYHRJCJ-RMRKRWHISA-N 0 0 382.501 3.653 10 0 GHAERN O=C(c1cnc(-c2ccc(F)c(F)c2)s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408154975 841290943 /nfs/dbraw/zinc/29/09/43/841290943.db2.gz OBIGCOTVVCSUBL-ORAYPTAESA-N 0 0 378.444 3.856 10 0 GHAERN CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)C1 ZINC000408154787 841297445 /nfs/dbraw/zinc/29/74/45/841297445.db2.gz RAXSZSSBKTWKDR-INIZCTEOSA-N 0 0 387.480 3.641 10 0 GHAERN CC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(CSC3CCCC3)c2)C1 ZINC000152309049 841317253 /nfs/dbraw/zinc/31/72/53/841317253.db2.gz XWDCNEXPCUQPDV-SFHVURJKSA-N 0 0 375.538 3.995 10 0 GHAERN C[C@@H]1CCCN(c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)n2C[C@@H]2CCCO2)C1 ZINC000328785460 841393577 /nfs/dbraw/zinc/39/35/77/841393577.db2.gz WEZZROAXCZADKO-OWSLCNJRSA-N 0 0 376.545 3.612 10 0 GHAERN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000330243223 841562937 /nfs/dbraw/zinc/56/29/37/841562937.db2.gz JPXXPTATEUYBMM-UWJYYQICSA-N 0 0 398.528 3.916 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Nc2ccc(COC(C)C)cc2)c2ccccc2)[nH]1 ZINC000109382949 841731211 /nfs/dbraw/zinc/73/12/11/841731211.db2.gz UJAZJURMASHJRM-IBGZPJMESA-N 0 0 379.464 3.949 10 0 GHAERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)CC2 ZINC000247352610 842092091 /nfs/dbraw/zinc/09/20/91/842092091.db2.gz LMCYRSOTGINDQT-PMPSAXMXSA-N 0 0 392.425 3.655 10 0 GHAERN O=C([C@H]1CCc2ccccc21)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000329318560 861279895 /nfs/dbraw/zinc/27/98/95/861279895.db2.gz QYIPEPHNVRINCY-RBUKOAKNSA-N 0 0 381.476 3.747 10 0 GHAERN Cc1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc(C)c1OC(F)F ZINC000588433686 842424192 /nfs/dbraw/zinc/42/41/92/842424192.db2.gz BOIQNEPTXGFIQL-SREVYHEPSA-N 0 0 384.423 3.716 10 0 GHAERN Cc1nc(-c2ccsc2)ccc1C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588434565 842502129 /nfs/dbraw/zinc/50/21/29/842502129.db2.gz OCLQQABSLXECMF-WAYWQWQTSA-N 0 0 387.505 3.929 10 0 GHAERN CC(C)(CNC(=O)/C=C\c1ccncn1)Sc1ccc(Br)cc1 ZINC000588439674 842737007 /nfs/dbraw/zinc/73/70/07/842737007.db2.gz OEIDNZLMPFJYCA-YVMONPNESA-N 0 0 392.322 3.939 10 0 GHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1C ZINC000408366388 842900072 /nfs/dbraw/zinc/90/00/72/842900072.db2.gz LUXKZAYRMWUMJF-CEXWTWQISA-N 0 0 378.538 3.506 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000329412392 861389029 /nfs/dbraw/zinc/38/90/29/861389029.db2.gz CITLUIJWYWGQFF-FORWCCJISA-N 0 0 382.460 3.504 10 0 GHAERN O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000122760596 843235784 /nfs/dbraw/zinc/23/57/84/843235784.db2.gz KOBVROCNZSJOOP-IAQYHMDHSA-N 0 0 397.846 3.675 10 0 GHAERN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000162327257 843237238 /nfs/dbraw/zinc/23/72/38/843237238.db2.gz QPMDMSFVMRKKFL-HNNXBMFYSA-N 0 0 375.513 3.769 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000112306592 843351226 /nfs/dbraw/zinc/35/12/26/843351226.db2.gz XQTDJVNRCYRPCU-QUCCMNQESA-N 0 0 398.528 3.591 10 0 GHAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121764853 843485026 /nfs/dbraw/zinc/48/50/26/843485026.db2.gz LQTPXHWEMBNCSW-SGTLLEGYSA-N 0 0 377.282 3.698 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000588460166 843563044 /nfs/dbraw/zinc/56/30/44/843563044.db2.gz GDCLNGXGMUGYJV-PLNGDYQASA-N 0 0 377.872 3.561 10 0 GHAERN CC(=O)Nc1cccc2c1CCCN2C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000276899277 843670433 /nfs/dbraw/zinc/67/04/33/843670433.db2.gz IKEJFQCZXASKDA-MBSDFSHPSA-N 0 0 376.456 3.665 10 0 GHAERN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CCO[C@H](c2cccs2)C1 ZINC000333041448 843880295 /nfs/dbraw/zinc/88/02/95/843880295.db2.gz ALYVRETXZVWQIW-WBOSRHFRSA-N 0 0 376.522 3.615 10 0 GHAERN C[C@H](c1nc(-c2ccccc2)no1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000052685423 844721519 /nfs/dbraw/zinc/72/15/19/844721519.db2.gz BHOZVGOQPBJXLG-QGZVFWFLSA-N 0 0 382.508 3.912 10 0 GHAERN O=C(NCc1nc2cc(Cl)ccc2s1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000332960435 844878466 /nfs/dbraw/zinc/87/84/66/844878466.db2.gz JYOGTCBIDUYNSG-SGTLLEGYSA-N 0 0 379.913 3.786 10 0 GHAERN O=C(N[C@H]1CCc2cc(Br)ccc21)N[C@H]1CCCc2c[nH]nc21 ZINC000332962372 844943946 /nfs/dbraw/zinc/94/39/46/844943946.db2.gz MTNAXOZKZHSSBT-GJZGRUSLSA-N 0 0 375.270 3.536 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151481713 845198722 /nfs/dbraw/zinc/19/87/22/845198722.db2.gz RJKKKIIHDXOZFL-UHFFFAOYSA-N 0 0 378.259 3.879 10 0 GHAERN O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000151505463 845244785 /nfs/dbraw/zinc/24/47/85/845244785.db2.gz SNNXIROYNAOEQA-UHFFFAOYSA-N 0 0 378.259 3.879 10 0 GHAERN Cc1ccc(NC(=O)N[C@@H]2CCCn3nc(C(C)C)nc32)c(Br)n1 ZINC000151514696 845249881 /nfs/dbraw/zinc/24/98/81/845249881.db2.gz QABZVUFRHZVYDA-GFCCVEGCSA-N 0 0 393.289 3.524 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000248951540 845480506 /nfs/dbraw/zinc/48/05/06/845480506.db2.gz KNJNKVDKOFHGAZ-HFBAOOFYSA-N 0 0 397.397 3.564 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)NCC(C)(C)c3ccc(F)cc3)c(=O)[nH]c21 ZINC000103105077 845657075 /nfs/dbraw/zinc/65/70/75/845657075.db2.gz QOFRALUWIFCAHW-BJMVGYQFSA-N 0 0 396.466 3.552 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1cccnc1SC(F)(F)F ZINC000151800167 845789298 /nfs/dbraw/zinc/78/92/98/845789298.db2.gz XQZAWYAFEGGTIL-NSHDSACASA-N 0 0 385.415 3.673 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)C1 ZINC000329541224 861625640 /nfs/dbraw/zinc/62/56/40/861625640.db2.gz DGSAUOHJQYFJNG-IRXDYDNUSA-N 0 0 377.554 3.505 10 0 GHAERN Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCN(C(=O)C(C)(C)C)C3)C2)sc1C ZINC000329547640 861631021 /nfs/dbraw/zinc/63/10/21/861631021.db2.gz HOIUUNJFNNVBDG-IRXDYDNUSA-N 0 0 391.581 3.751 10 0 GHAERN O=C(NCc1csc(-c2ccco2)n1)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000119680563 846220111 /nfs/dbraw/zinc/22/01/11/846220111.db2.gz QCYLAWBAYUKFPW-SECBINFHSA-N 0 0 396.394 3.566 10 0 GHAERN O=C(Oc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccn2)CC1 ZINC000152130009 846283525 /nfs/dbraw/zinc/28/35/25/846283525.db2.gz RANBTZWKHBDUDX-UHFFFAOYSA-N 0 0 379.243 3.846 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333544903 846510950 /nfs/dbraw/zinc/51/09/50/846510950.db2.gz SRKIIQBISATHQP-OOZABLHZSA-N 0 0 396.491 3.564 10 0 GHAERN CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)c1 ZINC000588524695 847419235 /nfs/dbraw/zinc/41/92/35/847419235.db2.gz COELCGJZEWMAFF-ZTYXWKCZSA-N 0 0 378.259 3.639 10 0 GHAERN Cc1ccccc1-c1cc(NC(=O)N2CCCN(c3ccccn3)CC2)n(C)n1 ZINC000153592164 848699333 /nfs/dbraw/zinc/69/93/33/848699333.db2.gz UEEKVIIPLHQVEH-UHFFFAOYSA-N 0 0 390.491 3.535 10 0 GHAERN COC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)CCCc2csc(C)n2)C1 ZINC000154684966 849350324 /nfs/dbraw/zinc/35/03/24/849350324.db2.gz RGCLAEHPPZRCPO-MSOLQXFVSA-N 0 0 386.517 3.580 10 0 GHAERN CN(Cc1nc2c(s1)CCCC2)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155505278 849534222 /nfs/dbraw/zinc/53/42/22/849534222.db2.gz FKHFUVRGEGTMBY-UHFFFAOYSA-N 0 0 390.578 3.894 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CCC(Oc2ccccc2)CC1 ZINC000155487030 849539739 /nfs/dbraw/zinc/53/97/39/849539739.db2.gz BCOAFPCOTKGGTB-UHFFFAOYSA-N 0 0 385.533 3.970 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1ccc(Cl)cc1 ZINC000155783623 849635230 /nfs/dbraw/zinc/63/52/30/849635230.db2.gz DAWUMURAPXFBMW-GOSISDBHSA-N 0 0 390.915 3.569 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cnc4c(cnn4CC(C)C)c3)C2)n1 ZINC000329686446 862057398 /nfs/dbraw/zinc/05/73/98/862057398.db2.gz BLWWVQCWNYAQNU-OAHLLOKOSA-N 0 0 383.521 3.872 10 0 GHAERN O=C([C@H]1CC(=O)Nc2ccccc21)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329691668 862092673 /nfs/dbraw/zinc/09/26/73/862092673.db2.gz ZTOYLIDFMDSJDO-AAEUAGOBSA-N 0 0 392.381 3.910 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000333682712 850394665 /nfs/dbraw/zinc/39/46/65/850394665.db2.gz AWSZDZMUHCQRIQ-BDXSIMOUSA-N 0 0 390.549 3.513 10 0 GHAERN Cc1cc(C)cc(-c2cc(NC(=O)CCc3nc(-c4ccccn4)no3)n[nH]2)c1 ZINC000101672236 851826565 /nfs/dbraw/zinc/82/65/65/851826565.db2.gz WUOBIABAMPPPFL-UHFFFAOYSA-N 0 0 388.431 3.710 10 0 GHAERN c1nc(C2CCCCC2)n2c1C[C@H](c1nc([C@H]3CN4CCC[C@H]4CO3)no1)CC2 ZINC000329747803 862288306 /nfs/dbraw/zinc/28/83/06/862288306.db2.gz ZPUICDTWBZKXTK-ZIFCJYIRSA-N 0 0 397.523 3.580 10 0 GHAERN Brc1cccc([C@@H]2C[C@H]2c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000333871645 851883704 /nfs/dbraw/zinc/88/37/04/851883704.db2.gz UQQMIRQDEKPSGN-CAOSSQGBSA-N 0 0 390.281 3.639 10 0 GHAERN C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000014573877 852328150 /nfs/dbraw/zinc/32/81/50/852328150.db2.gz JHITZNOSRVIZCP-CYBMUJFWSA-N 0 0 390.405 3.834 10 0 GHAERN CCn1cc(C2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)CC2)cn1 ZINC000124076074 852554177 /nfs/dbraw/zinc/55/41/77/852554177.db2.gz DGYFEEZBQXBFJQ-UHFFFAOYSA-N 0 0 382.508 3.714 10 0 GHAERN C[C@@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)ncn2)C1 ZINC000330049302 862531528 /nfs/dbraw/zinc/53/15/28/862531528.db2.gz KQQFHDKEDQRKGJ-KGLIPLIRSA-N 0 0 394.445 3.603 10 0 GHAERN C[C@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)ncn2)C1 ZINC000330049301 862531699 /nfs/dbraw/zinc/53/16/99/862531699.db2.gz KQQFHDKEDQRKGJ-KBPBESRZSA-N 0 0 394.445 3.603 10 0 GHAERN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000123498207 854425591 /nfs/dbraw/zinc/42/55/91/854425591.db2.gz RBSFWTWLFMJCSR-SVFBPWRDSA-N 0 0 378.472 3.781 10 0 GHAERN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000328710940 854517983 /nfs/dbraw/zinc/51/79/83/854517983.db2.gz RDYPLHVOLKCXDL-QBXFWIFKSA-N 0 0 396.516 3.810 10 0 GHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(N2CCCC3(CC3)C2)n1C[C@H]1CCOC1 ZINC000328797516 854561128 /nfs/dbraw/zinc/56/11/28/854561128.db2.gz VVXKEVZDDSUXCK-SQNIBIBYSA-N 0 0 388.556 3.614 10 0 GHAERN Nc1nc(CN2CCC(c3nccs3)CC2)nc2sc3c(c21)CCCC3 ZINC000328983182 854640549 /nfs/dbraw/zinc/64/05/49/854640549.db2.gz FMJBLFBKXKTTMT-UHFFFAOYSA-N 0 0 385.562 3.988 10 0 GHAERN CCn1nc(C)c(S(=O)(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1C ZINC000330148414 862616350 /nfs/dbraw/zinc/61/63/50/862616350.db2.gz MEVZYKXQYSSLKD-KRWDZBQOSA-N 0 0 389.521 3.635 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)N1CCc2sccc2[C@@H]1C ZINC000334128696 854902371 /nfs/dbraw/zinc/90/23/71/854902371.db2.gz RQMYCVZXPUMQBS-ZUEVXXBESA-N 0 0 388.537 3.505 10 0 GHAERN C[C@H](C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1)C1CCOCC1 ZINC000330153887 862621351 /nfs/dbraw/zinc/62/13/51/862621351.db2.gz NBIIMQICAUCIIT-XKDCRVNJSA-N 0 0 395.503 3.679 10 0 GHAERN O=[S@](Cc1csc(Cc2ccccc2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105690007 855131763 /nfs/dbraw/zinc/13/17/63/855131763.db2.gz OJEJAVMVXBGVLO-SANMLTNESA-N 0 0 385.470 3.826 10 0 GHAERN COC(=O)CC[C@@H](NC(=O)Cc1coc2cc(OC)ccc12)c1ccccc1 ZINC000105988898 855162251 /nfs/dbraw/zinc/16/22/51/855162251.db2.gz FPMRDDJIUJCYIC-LJQANCHMSA-N 0 0 381.428 3.795 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000053364633 855227650 /nfs/dbraw/zinc/22/76/50/855227650.db2.gz QMEVNZMOGGURDP-CVEARBPZSA-N 0 0 388.464 3.522 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(Br)c(C)cc2C)C[C@H]1C ZINC000190105268 855416951 /nfs/dbraw/zinc/41/69/51/855416951.db2.gz DFUZVFAWTOWKBJ-OLZOCXBDSA-N 0 0 383.286 3.729 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1 ZINC000190141512 855419815 /nfs/dbraw/zinc/41/98/15/855419815.db2.gz MGBFGYUDJHMALM-JQHSSLGASA-N 0 0 384.480 3.563 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)C1 ZINC000190147792 855419844 /nfs/dbraw/zinc/41/98/44/855419844.db2.gz TZWWCQRPVXKQHZ-JTDSTZFVSA-N 0 0 398.507 3.705 10 0 GHAERN COc1c2cnn(C)c2ncc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000183141629 855735306 /nfs/dbraw/zinc/73/53/06/855735306.db2.gz UEWKSTANXSWQQW-KRWDZBQOSA-N 0 0 392.459 3.543 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCCN1C1CCCC1 ZINC000193576453 855919412 /nfs/dbraw/zinc/91/94/12/855919412.db2.gz YOCOQEQJYWQUEC-WOJBJXKFSA-N 0 0 384.520 3.583 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N(Cc1ccco1)Cc1ccco1 ZINC000030471879 856107505 /nfs/dbraw/zinc/10/75/05/856107505.db2.gz QCODMGBDPIWWKO-SFHVURJKSA-N 0 0 382.441 3.905 10 0 GHAERN Cc1cc(C(C)C)nc(N2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)n1 ZINC000185662896 856403936 /nfs/dbraw/zinc/40/39/36/856403936.db2.gz YBHGMAPRINKVJT-UHFFFAOYSA-N 0 0 393.413 3.680 10 0 GHAERN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC[C@@H](O)Cc2ccccc2)c1 ZINC000105032999 856463008 /nfs/dbraw/zinc/46/30/08/856463008.db2.gz ACJUXKSAZZVKGE-INIZCTEOSA-N 0 0 390.867 3.630 10 0 GHAERN CC[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1ccc2c(c1)OCCO2 ZINC000172226177 856465937 /nfs/dbraw/zinc/46/59/37/856465937.db2.gz WJANPVRDJTYGQQ-CVEARBPZSA-N 0 0 387.505 3.955 10 0 GHAERN Cc1cc2c(cc1C)NC(=O)[C@H](NC(=O)c1ccc(Br)cc1)C=N2 ZINC000198712490 856519321 /nfs/dbraw/zinc/51/93/21/856519321.db2.gz UJZPJECEUDVLMB-MRXNPFEDSA-N 0 0 386.249 3.519 10 0 GHAERN CCCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218504 856970846 /nfs/dbraw/zinc/97/08/46/856970846.db2.gz LUFXBIJFTZCZHY-ICSRJNTNSA-N 0 0 394.519 3.574 10 0 GHAERN CC(C)c1nc(C(=O)N2[C@H](C)COC[C@@H]2C)nn1-c1c(Cl)cccc1Cl ZINC000131220906 857699004 /nfs/dbraw/zinc/69/90/04/857699004.db2.gz OXOYWOBKQSSGGK-TXEJJXNPSA-N 0 0 397.306 3.947 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000130020909 858600492 /nfs/dbraw/zinc/60/04/92/858600492.db2.gz CALWZTIGQYRSJA-PKOBYXMFSA-N 0 0 384.520 3.978 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000130021370 858600533 /nfs/dbraw/zinc/60/05/33/858600533.db2.gz CALWZTIGQYRSJA-HKUYNNGSSA-N 0 0 384.520 3.978 10 0 GHAERN Cc1c(C(=O)NC2CCC(C(F)(F)F)CC2)sc2nc3n(c(=O)c12)CCC3 ZINC000027895650 858844307 /nfs/dbraw/zinc/84/43/07/858844307.db2.gz PLTBTVPRQWNCIP-UHFFFAOYSA-N 0 0 399.438 3.564 10 0 GHAERN O=C(N[C@@H]1CCCc2sccc21)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000136569695 859505641 /nfs/dbraw/zinc/50/56/41/859505641.db2.gz CBQMLZSJZKOXTQ-CVEARBPZSA-N 0 0 385.537 3.990 10 0 GHAERN Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000272322600 859597260 /nfs/dbraw/zinc/59/72/60/859597260.db2.gz ISWOOUMZAWVNQB-ZWKOTPCHSA-N 0 0 395.507 3.602 10 0 GHAERN COc1ccc([C@@H](NC(=O)c2nc(Cl)ccc2Cl)c2nccn2C)cc1 ZINC000016473119 860163577 /nfs/dbraw/zinc/16/35/77/860163577.db2.gz YSXDCHYXSGGHQJ-OAHLLOKOSA-N 0 0 391.258 3.650 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000023669913 860299811 /nfs/dbraw/zinc/29/98/11/860299811.db2.gz FYQMBTGFGKTDLU-FIIODCPWSA-N 0 0 391.471 3.536 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)[C@]34CCC(=O)N3c3ccccc3S4)C2)n1 ZINC000173064927 860435935 /nfs/dbraw/zinc/43/59/35/860435935.db2.gz AZZXDKGJTRTMPX-VBKZILBWSA-N 0 0 399.541 3.787 10 0 GHAERN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)ccc1OC(C)C ZINC000173822674 860443012 /nfs/dbraw/zinc/44/30/12/860443012.db2.gz XXAURMSYMXVUEB-MRXNPFEDSA-N 0 0 393.509 3.814 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000138770489 860467611 /nfs/dbraw/zinc/46/76/11/860467611.db2.gz CNKDUKSJDXXDKQ-OMWUSAIZSA-N 0 0 393.325 3.773 10 0 GHAERN O=C(CCc1nc(-c2ccncc2)no1)Nc1scnc1-c1ccccc1 ZINC000102725486 860832998 /nfs/dbraw/zinc/83/29/98/860832998.db2.gz ZFAVJUQVFAAPJU-UHFFFAOYSA-N 0 0 377.429 3.826 10 0 GHAERN COCCNC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ncccc32)c1 ZINC000102728230 860834375 /nfs/dbraw/zinc/83/43/75/860834375.db2.gz SDXNBACCOGJYLB-UHFFFAOYSA-N 0 0 383.835 3.517 10 0 GHAERN CCOc1ccccc1[C@H](CC(=O)Nc1nc(C(C)C)cs1)NC(C)=O ZINC000102908064 860854604 /nfs/dbraw/zinc/85/46/04/860854604.db2.gz ZCSJMUXLCWHLOI-HNNXBMFYSA-N 0 0 375.494 3.871 10 0 GHAERN O=C(C[S@@](=O)Cc1csc(-c2ccccc2F)n1)Nc1ccccc1F ZINC000102948014 860913610 /nfs/dbraw/zinc/91/36/10/860913610.db2.gz IHTBDCGJKKISOY-AREMUKBSSA-N 0 0 392.452 3.976 10 0 GHAERN Cc1sc2nc([C@H](C)N3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034810 860964942 /nfs/dbraw/zinc/96/49/42/860964942.db2.gz MOBZLPPJTDEJIL-GXFFZTMASA-N 0 0 385.493 3.825 10 0 GHAERN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000329191029 861121814 /nfs/dbraw/zinc/12/18/14/861121814.db2.gz RGNNYEASJNVAAN-INIZCTEOSA-N 0 0 381.505 3.804 10 0 GHAERN COc1ccc(Br)cc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000164751594 861172693 /nfs/dbraw/zinc/17/26/93/861172693.db2.gz WZWUIXAEQFSZDA-SJCJKPOMSA-N 0 0 383.286 3.617 10 0 GHAERN COC(=O)CSCc1cccc(NC(=O)c2coc(Br)c2)c1 ZINC000103051659 863860866 /nfs/dbraw/zinc/86/08/66/863860866.db2.gz CBWPTTOPQDQHPK-UHFFFAOYSA-N 0 0 384.251 3.701 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccccc3Cn3cccn3)c21 ZINC000103176918 863900410 /nfs/dbraw/zinc/90/04/10/863900410.db2.gz XXLMIGILTRPNEE-UHFFFAOYSA-N 0 0 387.487 3.763 10 0 GHAERN COc1cc(OC)c(OC)cc1CNC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103181945 863904947 /nfs/dbraw/zinc/90/49/47/863904947.db2.gz WCNAAWBEVIKXGU-UHFFFAOYSA-N 0 0 397.475 3.544 10 0 GHAERN C[C@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000103224314 863913045 /nfs/dbraw/zinc/91/30/45/863913045.db2.gz UITFXTAFUDIDJM-QDXKXIGTSA-N 0 0 392.477 3.668 10 0 GHAERN CC[C@H](CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)c1ccccc1 ZINC000103432657 863981563 /nfs/dbraw/zinc/98/15/63/863981563.db2.gz IPQXTGRTGJFMPW-MRXNPFEDSA-N 0 0 376.451 3.506 10 0 GHAERN CC[C@H](CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccccc1 ZINC000103380041 864003119 /nfs/dbraw/zinc/00/31/19/864003119.db2.gz GYMRRULIOUUBEW-WSTZPKSXSA-N 0 0 381.520 3.895 10 0 GHAERN CCCC(=O)Nc1cccc(NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1C ZINC000103774321 864090302 /nfs/dbraw/zinc/09/03/02/864090302.db2.gz KCNQXNLZBIXIFI-UHFFFAOYSA-N 0 0 398.854 3.615 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000103873179 864103012 /nfs/dbraw/zinc/10/30/12/864103012.db2.gz GCPOWVWSZCWBQM-FQEVSTJZSA-N 0 0 399.466 3.580 10 0 GHAERN COc1ccccc1CCN(C)C(=O)c1ccc(CSc2nccn2C)o1 ZINC000104458846 864325868 /nfs/dbraw/zinc/32/58/68/864325868.db2.gz VGRFXUUFZYZLTK-UHFFFAOYSA-N 0 0 385.489 3.629 10 0 GHAERN CC(C)[C@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000333016956 864617228 /nfs/dbraw/zinc/61/72/28/864617228.db2.gz YOEFDOFPMZYKKL-OYNPSCLESA-N 0 0 389.588 3.659 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000105005887 864781462 /nfs/dbraw/zinc/78/14/62/864781462.db2.gz ZTQDYHLMARXUGP-UHFFFAOYSA-N 0 0 383.492 3.930 10 0 GHAERN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CCC[C@@H](c2nccs2)C1 ZINC000249918303 864912775 /nfs/dbraw/zinc/91/27/75/864912775.db2.gz XZILWEGQVBNNON-LSDHHAIUSA-N 0 0 387.505 3.511 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(-c3noc(C4CC4)n3)c1)C2 ZINC000173373648 865080521 /nfs/dbraw/zinc/08/05/21/865080521.db2.gz HRADRMMQLPPMKA-UHFFFAOYSA-N 0 0 391.475 3.669 10 0 GHAERN CCc1cc(N2CCC[C@@H]2c2nncn2CC(C)C)nc(-c2ccccn2)n1 ZINC000301359015 865310573 /nfs/dbraw/zinc/31/05/73/865310573.db2.gz LMLRAGHWMYMUJM-GOSISDBHSA-N 0 0 377.496 3.690 10 0 GHAERN O=C(c1ccc2ncsc2c1)N1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000090678238 881865132 /nfs/dbraw/zinc/86/51/32/881865132.db2.gz DAWUKZPIMNZPDK-UHFFFAOYSA-N 0 0 390.468 3.923 10 0 GHAERN COc1cc(OC)cc(C2(O)CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000301666314 865484971 /nfs/dbraw/zinc/48/49/71/865484971.db2.gz WVBJAELBUHBHOD-UHFFFAOYSA-N 0 0 382.382 3.606 10 0 GHAERN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCC[C@@H]2c2nccs2)C1 ZINC000303898909 865809195 /nfs/dbraw/zinc/80/91/95/865809195.db2.gz QGRFISNEMCVUQT-DLBZAZTESA-N 0 0 392.569 3.664 10 0 GHAERN C[C@]1(C(=O)N2CCC[C@H](c3nccs3)C2)CCCN(C(=O)c2ccccc2)C1 ZINC000173493692 865923380 /nfs/dbraw/zinc/92/33/80/865923380.db2.gz AHXSUDKUDGNPMV-AVRDEDQJSA-N 0 0 397.544 3.792 10 0 GHAERN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000111344248 866672091 /nfs/dbraw/zinc/67/20/91/866672091.db2.gz XSWFAGPEBXKPTE-GOSISDBHSA-N 0 0 392.546 3.953 10 0 GHAERN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114741453 866770035 /nfs/dbraw/zinc/77/00/35/866770035.db2.gz KHJKILFAVMZUMG-LLVKDONJSA-N 0 0 376.425 3.730 10 0 GHAERN Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000170891076 882068080 /nfs/dbraw/zinc/06/80/80/882068080.db2.gz VKTIOXBUYFESCA-SJLPKXTDSA-N 0 0 385.533 3.612 10 0 GHAERN CCCc1c(C(=O)N2CCC[C@@H](c3nccs3)C2)[nH]c(C)c1C(=O)OC ZINC000170891772 882068704 /nfs/dbraw/zinc/06/87/04/882068704.db2.gz RRFXCWNTWKYNFZ-CYBMUJFWSA-N 0 0 375.494 3.539 10 0 GHAERN COc1ccc(CN(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C ZINC000171189084 882086836 /nfs/dbraw/zinc/08/68/36/882086836.db2.gz JSZGLEPAKYOPRI-UHFFFAOYSA-N 0 0 398.478 3.654 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000171222911 882089527 /nfs/dbraw/zinc/08/95/27/882089527.db2.gz NQIOZXMRUIVOGW-HSZRJFAPSA-N 0 0 376.456 3.937 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cc(Br)ccc3O)CC2)n1 ZINC000171275073 882092711 /nfs/dbraw/zinc/09/27/11/882092711.db2.gz JNWMMLFTVOUJNT-UHFFFAOYSA-N 0 0 381.295 3.939 10 0 GHAERN Cc1ccc(NC(=O)CSCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000171647691 882121471 /nfs/dbraw/zinc/12/14/71/882121471.db2.gz ILLMKQOCDBHCHM-OAHLLOKOSA-N 0 0 389.546 3.529 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)N3CCC[C@@H](c4nccs4)C3)ccc2[nH]1 ZINC000171722576 882156288 /nfs/dbraw/zinc/15/62/88/882156288.db2.gz GBJHLQSEJXIIRU-CQSZACIVSA-N 0 0 383.473 3.821 10 0 GHAERN Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245713793 868196010 /nfs/dbraw/zinc/19/60/10/868196010.db2.gz TUOZNFRIWOZIEM-MBOZVWFJSA-N 0 0 385.508 3.652 10 0 GHAERN CCc1nc([C@@H](C)NC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000171857503 882164497 /nfs/dbraw/zinc/16/44/97/882164497.db2.gz SRXWLLJBDIWKLD-OAHLLOKOSA-N 0 0 392.569 3.591 10 0 GHAERN Cc1cccc([C@@H]2CCCCCN2C(=O)NCc2cccnc2-n2cncn2)c1 ZINC000172272648 882192458 /nfs/dbraw/zinc/19/24/58/882192458.db2.gz WYCLQVILNGEXLA-FQEVSTJZSA-N 0 0 390.491 3.798 10 0 GHAERN O=C(c1oc2ccccc2c1COc1ccccc1Cl)N1CCNC(=O)CC1 ZINC000102341356 882229766 /nfs/dbraw/zinc/22/97/66/882229766.db2.gz NLGPHPHFJWALQS-UHFFFAOYSA-N 0 0 398.846 3.627 10 0 GHAERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)no1 ZINC000173822884 869149881 /nfs/dbraw/zinc/14/98/81/869149881.db2.gz OTWQOBMUOGOHKZ-CYBMUJFWSA-N 0 0 389.399 3.738 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3csc(-c4cnccn4)n3)C2)cc1 ZINC000172440126 882276502 /nfs/dbraw/zinc/27/65/02/882276502.db2.gz SNWHEFIACIONMB-UKRRQHHQSA-N 0 0 380.473 3.627 10 0 GHAERN CC[C@@H](C)N(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172687580 882285438 /nfs/dbraw/zinc/28/54/38/882285438.db2.gz YSWSWVMKQQVQNZ-GOSISDBHSA-N 0 0 379.504 3.761 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000172514184 882293184 /nfs/dbraw/zinc/29/31/84/882293184.db2.gz UCLJCWQGCRVTMG-UHFFFAOYSA-N 0 0 390.443 3.518 10 0 GHAERN O=C(Nc1cccc(-c2ncon2)c1)C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000172540180 882294012 /nfs/dbraw/zinc/29/40/12/882294012.db2.gz DRWZFLOZPVCSRK-IBGZPJMESA-N 0 0 390.443 3.723 10 0 GHAERN O=C(NCCc1cc2ccccc2o1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000172494888 882289063 /nfs/dbraw/zinc/28/90/63/882289063.db2.gz WWTRFQIIIYWOSF-KRWDZBQOSA-N 0 0 389.459 3.607 10 0 GHAERN C[C@H](c1ccccc1Cl)N(C)C(=O)C(=O)Nc1cccc(-c2ncon2)c1 ZINC000172535777 882294387 /nfs/dbraw/zinc/29/43/87/882294387.db2.gz ZIFIEACTJXXHEM-GFCCVEGCSA-N 0 0 384.823 3.548 10 0 GHAERN Cc1oncc1C(=O)Nc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c(O)c1 ZINC000172717503 882302431 /nfs/dbraw/zinc/30/24/31/882302431.db2.gz OGJQRLUGHPHWCD-UHFFFAOYSA-N 0 0 389.411 3.633 10 0 GHAERN O=C(Nc1ccc2oc(C3CC3)nc2c1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000172777209 882307495 /nfs/dbraw/zinc/30/74/95/882307495.db2.gz YRLROKKAZNNJLR-GOSISDBHSA-N 0 0 390.443 3.734 10 0 GHAERN Cc1nccc(-c2cccc(NC(=O)c3cccc(N4CCNC4=O)c3C)c2)n1 ZINC000173068320 882319078 /nfs/dbraw/zinc/31/90/78/882319078.db2.gz FYQFAFVIDUOGOH-UHFFFAOYSA-N 0 0 387.443 3.542 10 0 GHAERN CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000172911860 882323129 /nfs/dbraw/zinc/32/31/29/882323129.db2.gz OGJDTTMNZBAAHN-UHFFFAOYSA-N 0 0 393.531 3.791 10 0 GHAERN CC(C)(CNC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1ccccc1Cl ZINC000172967727 882325568 /nfs/dbraw/zinc/32/55/68/882325568.db2.gz BLRRWGCNHFSUJL-UHFFFAOYSA-N 0 0 399.922 3.681 10 0 GHAERN O=C(Nc1cccc(SC(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172958400 882326263 /nfs/dbraw/zinc/32/62/63/882326263.db2.gz KOVPXKFKESRISP-UHFFFAOYSA-N 0 0 391.443 3.887 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)c2cccc(N3CCNC3=O)c2C)cc1 ZINC000172989596 882329175 /nfs/dbraw/zinc/32/91/75/882329175.db2.gz YUBWZCHLVORFLM-HXUWFJFHSA-N 0 0 379.460 3.511 10 0 GHAERN Cc1cccc2c(CCNC(=O)C3CCN(C(=O)c4cccs4)CC3)c[nH]c21 ZINC000173012547 882331937 /nfs/dbraw/zinc/33/19/37/882331937.db2.gz ZSTDDSBOUQTOQU-UHFFFAOYSA-N 0 0 395.528 3.749 10 0 GHAERN CC(C)(C)Oc1ccccc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173046058 882334744 /nfs/dbraw/zinc/33/47/44/882334744.db2.gz HVJTYRLFRJCPGN-UHFFFAOYSA-N 0 0 381.476 3.750 10 0 GHAERN CCCn1ccc2ccc(NC(=O)NC3CCN(c4ncccn4)CC3)cc21 ZINC000173463099 882363538 /nfs/dbraw/zinc/36/35/38/882363538.db2.gz STTWZPAVIMUIFQ-UHFFFAOYSA-N 0 0 378.480 3.632 10 0 GHAERN Cc1sc(NC(=O)CN2CCCN(C(=O)c3cccs3)CC2)c(C)c1C ZINC000173736295 882371136 /nfs/dbraw/zinc/37/11/36/882371136.db2.gz UKRCOFRQCJSKJO-UHFFFAOYSA-N 0 0 391.562 3.521 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc4c(c3)NC(=O)CC4)C2)cc1 ZINC000173754455 882372242 /nfs/dbraw/zinc/37/22/42/882372242.db2.gz MTMZUIFUAIOCLQ-YOEHRIQHSA-N 0 0 379.460 3.990 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N[C@H](c2ccco2)c2ccccc2)c1 ZINC000173549090 882378570 /nfs/dbraw/zinc/37/85/70/882378570.db2.gz JRFBVKXKVBGSBN-FQEVSTJZSA-N 0 0 392.459 3.962 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000187001978 870244781 /nfs/dbraw/zinc/24/47/81/870244781.db2.gz TUNKIJANJSFXBU-RNODOKPDSA-N 0 0 391.418 3.995 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cs1 ZINC000187068159 870247380 /nfs/dbraw/zinc/24/73/80/870247380.db2.gz PUTUQYOHRJHMLT-DYVFJYSZSA-N 0 0 389.908 3.822 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(-n4cncn4)cc3C)C2)cc1 ZINC000173848667 882409899 /nfs/dbraw/zinc/40/98/99/882409899.db2.gz XVEYXZDNUCKJFU-FUHWJXTLSA-N 0 0 376.460 3.603 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(N4CCNC4=O)c3C)C2)cc1 ZINC000173848538 882409987 /nfs/dbraw/zinc/40/99/87/882409987.db2.gz PZPDNEBIQGBCHO-QAPCUYQASA-N 0 0 393.487 3.551 10 0 GHAERN Cc1c(CSC(C)C)cccc1NC(=O)NCc1cccnc1-n1cncn1 ZINC000173876412 882411942 /nfs/dbraw/zinc/41/19/42/882411942.db2.gz TVIPXGQRISXTCZ-UHFFFAOYSA-N 0 0 396.520 3.934 10 0 GHAERN CNC(=O)Cn1ccc2ccc(NC(=O)N3CC=C(c4cccs4)CC3)cc21 ZINC000173893339 882413606 /nfs/dbraw/zinc/41/36/06/882413606.db2.gz LPWGRUNCCJDOSL-UHFFFAOYSA-N 0 0 394.500 3.770 10 0 GHAERN Cc1nn(-c2ccccc2)c2nc(C(=O)N3CCO[C@H]4CCCC[C@H]43)ccc12 ZINC000194711828 870522652 /nfs/dbraw/zinc/52/26/52/870522652.db2.gz GYILCOFTZVQNOU-UXHICEINSA-N 0 0 376.460 3.513 10 0 GHAERN Cc1cc(C)n(-c2ccc(C(=O)N3CCC(Nc4ccccc4F)CC3)cn2)n1 ZINC000174074096 882422276 /nfs/dbraw/zinc/42/22/76/882422276.db2.gz QYDWNKKQRALEGL-UHFFFAOYSA-N 0 0 393.466 3.740 10 0 GHAERN O=C(CCCNC(=O)c1ccsc1)N1CCC(Nc2ccccc2F)CC1 ZINC000174077849 882422301 /nfs/dbraw/zinc/42/23/01/882422301.db2.gz VVTSCSHFTJBOJW-UHFFFAOYSA-N 0 0 389.496 3.500 10 0 GHAERN COC(=O)Nc1cccc(C(=O)NCc2cc(F)cc(Br)c2)c1 ZINC000102997307 870901808 /nfs/dbraw/zinc/90/18/08/870901808.db2.gz WEWJGEMCBLIZBW-UHFFFAOYSA-N 0 0 381.201 3.697 10 0 GHAERN Cc1cc(C(=O)NC2CCN(Cc3c(Cl)n(C)nc3C(C)C)CC2)c(C)o1 ZINC000093009467 882476490 /nfs/dbraw/zinc/47/64/90/882476490.db2.gz ZRQHLAMBCWMEMD-UHFFFAOYSA-N 0 0 392.931 3.801 10 0 GHAERN Cc1cccc(O[C@H](C)CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000174665733 882492527 /nfs/dbraw/zinc/49/25/27/882492527.db2.gz XJINZCFTBJENNN-QGZVFWFLSA-N 0 0 398.478 3.570 10 0 GHAERN CCc1nnc(-c2cccc(NC(=O)C(=O)N[C@@H](CC)c3cccs3)c2)o1 ZINC000174763164 882501401 /nfs/dbraw/zinc/50/14/01/882501401.db2.gz MKUHVCUYLVMFJH-AWEZNQCLSA-N 0 0 384.461 3.567 10 0 GHAERN C[C@H](CC(=O)N1CCCN(C(=O)c2cccs2)CC1)Cc1cccc(F)c1 ZINC000174810968 882504982 /nfs/dbraw/zinc/50/49/82/882504982.db2.gz HBDDZBUVGMSWPT-INIZCTEOSA-N 0 0 388.508 3.831 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000174867849 882532365 /nfs/dbraw/zinc/53/23/65/882532365.db2.gz AUCXMNNYJICSJA-IMFGXOCKSA-N 0 0 396.512 3.604 10 0 GHAERN O=C(NCc1ccc(N2CCCCC2=O)cc1)c1cc(F)c(Cl)nc1Cl ZINC000103385012 871859260 /nfs/dbraw/zinc/85/92/60/871859260.db2.gz UFVISJZUBYWLOD-UHFFFAOYSA-N 0 0 396.249 3.974 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000103443839 871998453 /nfs/dbraw/zinc/99/84/53/871998453.db2.gz NUXPBAFASUXJCC-UHFFFAOYSA-N 0 0 393.484 3.518 10 0 GHAERN C[C@H]1CCN(C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)C[C@@H](C)C1 ZINC000163821833 872255236 /nfs/dbraw/zinc/25/52/36/872255236.db2.gz WOKZZYRKOBUWOD-IRXDYDNUSA-N 0 0 389.565 3.704 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000175599723 882600360 /nfs/dbraw/zinc/60/03/60/882600360.db2.gz ORLNBLXAOKOYFK-UHFFFAOYSA-N 0 0 378.476 3.779 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c2cnn(C)c2n1 ZINC000175858085 882606661 /nfs/dbraw/zinc/60/66/61/882606661.db2.gz UHJARRADGPIREG-CQSZACIVSA-N 0 0 383.521 3.876 10 0 GHAERN C[C@H](OC(=O)C1CCN(C(=O)c2cccs2)CC1)c1nc2ccccc2n1C ZINC000175917845 882614856 /nfs/dbraw/zinc/61/48/56/882614856.db2.gz JVSRPSOGSWMOPQ-AWEZNQCLSA-N 0 0 397.500 3.791 10 0 GHAERN COc1cccc(CCC(=O)OC[C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)c1 ZINC000102143267 872640372 /nfs/dbraw/zinc/64/03/72/872640372.db2.gz NCJVQJAQOOANSC-GOSISDBHSA-N 0 0 385.460 3.625 10 0 GHAERN Cc1csc([C@H](NC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)C2CC2)n1 ZINC000175826286 882635989 /nfs/dbraw/zinc/63/59/89/882635989.db2.gz QGFZRMWRYQBRBH-NVXWUHKLSA-N 0 0 396.520 3.535 10 0 GHAERN C[C@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(Cl)s1 ZINC000176471175 882696748 /nfs/dbraw/zinc/69/67/48/882696748.db2.gz SWLVQYMGAKNLTJ-LBPRGKRZSA-N 0 0 382.938 3.941 10 0 GHAERN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCn3ccnc32)cc1 ZINC000176479500 882697199 /nfs/dbraw/zinc/69/71/99/882697199.db2.gz JVLAAXGGAGXNKX-WMLDXEAASA-N 0 0 384.480 3.985 10 0 GHAERN C[C@@H]1CN(c2ccc(NC(=O)[C@@H]3CCCOC3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102744219 873525294 /nfs/dbraw/zinc/52/52/94/873525294.db2.gz DQQCJDNZMXXNTF-HZSPNIEDSA-N 0 0 386.414 3.684 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCO[C@H]3c3ccccc3)CC2)n1 ZINC000116666599 873614853 /nfs/dbraw/zinc/61/48/53/873614853.db2.gz NCNHDVRALXNCFU-IRLDBZIGSA-N 0 0 379.504 3.643 10 0 GHAERN O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000176835783 882742253 /nfs/dbraw/zinc/74/22/53/882742253.db2.gz ZEJFYYOVLDCRJP-FNNXTJRKSA-N 0 0 390.439 3.867 10 0 GHAERN COCCOc1cc(C)ccc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000117001998 873846961 /nfs/dbraw/zinc/84/69/61/873846961.db2.gz CLLPGTSQCUIUGI-UHFFFAOYSA-N 0 0 398.507 3.514 10 0 GHAERN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 ZINC000177395990 882792578 /nfs/dbraw/zinc/79/25/78/882792578.db2.gz QMQQQTGWONUTLK-GJZGRUSLSA-N 0 0 398.898 3.649 10 0 GHAERN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCOc3ccccc32)cc1 ZINC000104249376 874241600 /nfs/dbraw/zinc/24/16/00/874241600.db2.gz BTRJWHIRYAPFAW-UHFFFAOYSA-N 0 0 380.473 3.732 10 0 GHAERN C[C@@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(Cl)c1Cl ZINC000117969300 874284281 /nfs/dbraw/zinc/28/42/81/874284281.db2.gz IDHSSSGKQLFSOG-GFCCVEGCSA-N 0 0 394.306 3.813 10 0 GHAERN Cc1nc([C@@H](NC2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2F)no1 ZINC000177340907 882820166 /nfs/dbraw/zinc/82/01/66/882820166.db2.gz KZGHYUDJRAEBKM-KRWDZBQOSA-N 0 0 390.459 3.596 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Cn1c(-c2ccc(C)cc2)n[nH]c1=S ZINC000104458602 874411611 /nfs/dbraw/zinc/41/16/11/874411611.db2.gz YIGIBADACNTMDI-UHFFFAOYSA-N 0 0 396.516 3.626 10 0 GHAERN O=C(Nc1ccc2c(c1)C(=O)CCC2)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000177991554 882853414 /nfs/dbraw/zinc/85/34/14/882853414.db2.gz KXYYPRYCMROMIK-LJQANCHMSA-N 0 0 377.444 3.841 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2CCCc3c(F)ccc(F)c32)CC1 ZINC000177997794 882854079 /nfs/dbraw/zinc/85/40/79/882854079.db2.gz QJPLAOWFROQOIR-UHFFFAOYSA-N 0 0 390.455 3.858 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NCC[C@H]1c3ccccc3NC1=O)CCC2 ZINC000177834522 882866713 /nfs/dbraw/zinc/86/67/13/882866713.db2.gz NFZQDFZXODZGSY-WMLDXEAASA-N 0 0 398.532 3.850 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000104907779 874846126 /nfs/dbraw/zinc/84/61/26/874846126.db2.gz VLXLBVXWCNAQIW-IBGZPJMESA-N 0 0 383.451 3.630 10 0 GHAERN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000178358137 882906888 /nfs/dbraw/zinc/90/68/88/882906888.db2.gz LCVCQMKLXDCPOW-FPOVZHCZSA-N 0 0 394.496 3.972 10 0 GHAERN CCCCC[C@@H](C)NC(=O)C[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000105685389 875365407 /nfs/dbraw/zinc/36/54/07/875365407.db2.gz QKWQCCDFOZNVOF-IYJVBRSBSA-N 0 0 380.485 3.814 10 0 GHAERN CCCCC[C@H](C)NC(=O)C[S@](=O)Cc1csc(Br)c1 ZINC000105692127 875366298 /nfs/dbraw/zinc/36/62/98/875366298.db2.gz NJOUAFNWWDYATM-YBTHPKLGSA-N 0 0 380.373 3.844 10 0 GHAERN O=C(CN1CCS[C@@H]2COCC[C@@H]21)Nc1c(Cl)cccc1C(F)(F)F ZINC000178581141 882923444 /nfs/dbraw/zinc/92/34/44/882923444.db2.gz ABWUPJYWVYQVHF-QWHCGFSZSA-N 0 0 394.846 3.504 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)NCc1cccc(-c2ccccn2)c1 ZINC000178710987 882934031 /nfs/dbraw/zinc/93/40/31/882934031.db2.gz MEUHXMHNJMFJON-LJQANCHMSA-N 0 0 386.455 3.674 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(F)c1F ZINC000179364739 882965811 /nfs/dbraw/zinc/96/58/11/882965811.db2.gz LBENBVNQBXWPEF-LBPRGKRZSA-N 0 0 378.444 3.756 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 ZINC000179407483 882970099 /nfs/dbraw/zinc/97/00/99/882970099.db2.gz UJILHOVHBWYLNZ-INIZCTEOSA-N 0 0 381.398 3.830 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3nc4ccccc4s3)C2)c1 ZINC000102437577 882972297 /nfs/dbraw/zinc/97/22/97/882972297.db2.gz VUEYDWRSHJOOFF-AWEZNQCLSA-N 0 0 382.489 3.953 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCc3c4ccccc4[nH]c3C2)c1 ZINC000179206280 882980748 /nfs/dbraw/zinc/98/07/48/882980748.db2.gz LQXAQQBZHNRKMC-UHFFFAOYSA-N 0 0 391.475 3.529 10 0 GHAERN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(n3cncn3)CC2)c1 ZINC000120615650 876176342 /nfs/dbraw/zinc/17/63/42/876176342.db2.gz ZNZURDVLLGHBLQ-QFIPXVFZSA-N 0 0 389.503 3.912 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)CCO2)o1 ZINC000120882476 876326342 /nfs/dbraw/zinc/32/63/42/876326342.db2.gz OJKFIGBMPLGGPG-OXJNMPFZSA-N 0 0 380.448 3.618 10 0 GHAERN Cc1ccc([C@](O)(CC(=O)N2CCC[C@H](c3nccs3)C2)C(F)(F)F)o1 ZINC000180025471 883045727 /nfs/dbraw/zinc/04/57/27/883045727.db2.gz PRAOLOUINFCSHW-BLLLJJGKSA-N 0 0 388.411 3.591 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3ncccc3C(F)(F)F)C2)c1 ZINC000180221645 883067348 /nfs/dbraw/zinc/06/73/48/883067348.db2.gz JLHMGUZFDIRHBW-GFCCVEGCSA-N 0 0 380.366 3.747 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cnc(-c4ncccn4)s3)C2)cc1 ZINC000122004823 878220170 /nfs/dbraw/zinc/22/01/70/878220170.db2.gz JNSHHCXSBAZUHU-ZFWWWQNUSA-N 0 0 380.473 3.627 10 0 GHAERN CN(C(=O)N[C@H]1CCC(C)(C)c2ccccc21)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152588905 879427933 /nfs/dbraw/zinc/42/79/33/879427933.db2.gz WTUNQWCOFVMHPG-XLIONFOSSA-N 0 0 393.535 3.900 10 0 GHAERN CC1(C)CCC[C@@H](C(=O)N2CCOC[C@H]2c2nnc(-c3cccs3)o2)C1 ZINC000285919928 879940902 /nfs/dbraw/zinc/94/09/02/879940902.db2.gz GOINOLUBILAROJ-KGLIPLIRSA-N 0 0 375.494 3.914 10 0 GHAERN CCOc1cc(/C=C/C(=O)N2CCCC[C@H]2c2ncon2)ccc1OC(F)F ZINC000123262732 880168903 /nfs/dbraw/zinc/16/89/03/880168903.db2.gz ZZBBLJSCRKDSKI-KGXGESDWSA-N 0 0 393.390 3.837 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3c[nH]c(=S)n3-c3ccccc3)CC2)nc1 ZINC000181199748 883126085 /nfs/dbraw/zinc/12/60/85/883126085.db2.gz WILZJDRAPGFNNO-UHFFFAOYSA-N 0 0 394.500 3.548 10 0 GHAERN C[C@]1(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CC1(Cl)Cl ZINC000181137959 883150472 /nfs/dbraw/zinc/15/04/72/883150472.db2.gz ZVHDLGWSENKZFM-GOSISDBHSA-N 0 0 378.303 3.594 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3C)CC2)nc1 ZINC000181187184 883154068 /nfs/dbraw/zinc/15/40/68/883154068.db2.gz AVLMBXVDGKLFQU-UHFFFAOYSA-N 0 0 379.382 3.796 10 0 GHAERN C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccncc1 ZINC000181556127 883163919 /nfs/dbraw/zinc/16/39/19/883163919.db2.gz UYYVSLIJQSAGFL-SUMWQHHRSA-N 0 0 379.382 3.945 10 0 GHAERN Cc1nc([C@@H](NC(=O)N(C)C[C@H](C)c2nccs2)c2ccccc2F)no1 ZINC000182026433 883200937 /nfs/dbraw/zinc/20/09/37/883200937.db2.gz RLEIIAPAMWZNFW-NHYWBVRUSA-N 0 0 389.456 3.508 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000182617917 883229510 /nfs/dbraw/zinc/22/95/10/883229510.db2.gz LAOATSAPCPOWHI-SFHVURJKSA-N 0 0 378.457 3.622 10 0 GHAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)C1 ZINC000182972396 883253106 /nfs/dbraw/zinc/25/31/06/883253106.db2.gz YZMKYYTXXADSLH-BZUAXINKSA-N 0 0 377.558 3.525 10 0 GHAERN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000183081577 883261330 /nfs/dbraw/zinc/26/13/30/883261330.db2.gz QCHJVPSIXIHRJA-CHAGWJKLSA-N 0 0 389.525 3.611 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NCC2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000184008239 883297013 /nfs/dbraw/zinc/29/70/13/883297013.db2.gz MUXCZCDPFYOSPE-QJXPYNDKSA-N 0 0 375.488 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCCc3occc32)c2ccc(F)cc2C1 ZINC000184025285 883300583 /nfs/dbraw/zinc/30/05/83/883300583.db2.gz GIDMMLDORSYFBI-MOPGFXCFSA-N 0 0 385.439 3.589 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCc2ccc(C)cc2C)c2ccc(F)cc2C1 ZINC000184030782 883301842 /nfs/dbraw/zinc/30/18/42/883301842.db2.gz ZSRKMQFLAHZNBO-NRFANRHFSA-N 0 0 383.467 3.735 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)CC1 ZINC000183813953 883304082 /nfs/dbraw/zinc/30/40/82/883304082.db2.gz ZFUURIPWHQZCGC-OAHLLOKOSA-N 0 0 394.496 3.707 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CCC(c3ccnn3C)CC2)c1C ZINC000184065037 883332785 /nfs/dbraw/zinc/33/27/85/883332785.db2.gz FNLFCHBFZSWIHE-UHFFFAOYSA-N 0 0 390.871 3.580 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1C ZINC000184606553 883367088 /nfs/dbraw/zinc/36/70/88/883367088.db2.gz BGDQHHIYUGGUCO-CSKARUKUSA-N 0 0 384.520 3.658 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000184620275 883367322 /nfs/dbraw/zinc/36/73/22/883367322.db2.gz MAKIRXISQLFWMO-UHFFFAOYSA-N 0 0 390.405 3.932 10 0 GHAERN COc1cc(F)ccc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184846554 883386089 /nfs/dbraw/zinc/38/60/89/883386089.db2.gz QNISZOJDZGDDBV-QGZVFWFLSA-N 0 0 389.402 3.588 10 0 GHAERN CC(C)n1c2ccccc2nc1[C@@H](C)NCC(=O)N1CCc2sccc2C1 ZINC000184762101 883393158 /nfs/dbraw/zinc/39/31/58/883393158.db2.gz HUUXIICUMSSQIQ-OAHLLOKOSA-N 0 0 382.533 3.914 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2cccc3[nH]ccc32)c2ccc(F)cc2C1 ZINC000185293530 883432891 /nfs/dbraw/zinc/43/28/91/883432891.db2.gz JVRUBWZDTNLHII-HXUWFJFHSA-N 0 0 380.423 3.922 10 0 GHAERN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O ZINC000185288805 883432946 /nfs/dbraw/zinc/43/29/46/883432946.db2.gz UMOKTWHOKLRJGM-BZNIZROVSA-N 0 0 392.249 3.671 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Nc3cc(F)c(OC)c(F)c3)C2)c1 ZINC000102532367 883537355 /nfs/dbraw/zinc/53/73/55/883537355.db2.gz UXAKBTOBEFAHLM-CYBMUJFWSA-N 0 0 391.418 3.630 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)COc2ccc(C(C)C)cc2)c2ccc(F)cc2C1 ZINC000185501050 883546013 /nfs/dbraw/zinc/54/60/13/883546013.db2.gz QCGQWOFOUWBVLN-JOCHJYFZSA-N 0 0 398.478 3.938 10 0 GHAERN COc1cccc([C@@H](C)C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185504640 883546369 /nfs/dbraw/zinc/54/63/69/883546369.db2.gz VBPYVGZUFBFDLN-SPLOXXLWSA-N 0 0 384.451 3.548 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(F)cc2C1 ZINC000185519592 883550540 /nfs/dbraw/zinc/55/05/40/883550540.db2.gz LLDZIJAVISFDSS-RWENRRORSA-N 0 0 384.495 3.952 10 0 GHAERN CC[C@H](C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccc(OC)cc1 ZINC000185540194 883552886 /nfs/dbraw/zinc/55/28/86/883552886.db2.gz MZFAWSYREZNBDL-RBBKRZOGSA-N 0 0 398.478 3.938 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)c2ccc(F)cc2C1 ZINC000185550182 883555424 /nfs/dbraw/zinc/55/54/24/883555424.db2.gz RJQVHIPKGGKTPO-GOSISDBHSA-N 0 0 378.806 3.842 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H]1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185823309 883578101 /nfs/dbraw/zinc/57/81/01/883578101.db2.gz GJEZMIRAMZDHFX-DNVCBOLYSA-N 0 0 389.455 3.790 10 0 GHAERN O=C(CCc1cc(Br)cs1)N1CCCN(c2ccccn2)CC1 ZINC000186445008 883646546 /nfs/dbraw/zinc/64/65/46/883646546.db2.gz ITLODDNTAKPECV-UHFFFAOYSA-N 0 0 394.338 3.577 10 0 GHAERN COCC(=O)N1CCc2c1cccc2N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000186605334 883673118 /nfs/dbraw/zinc/67/31/18/883673118.db2.gz IHFOFWODUIQCGV-INIZCTEOSA-N 0 0 393.487 3.522 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)NCCC[C@@H]3CCCCO3)C2)c1 ZINC000186630061 883677293 /nfs/dbraw/zinc/67/72/93/883677293.db2.gz DJARNKOJKNCJKQ-AEFFLSMTSA-N 0 0 376.497 3.552 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H]3CCCN(c4cccc(F)c4)C3)ccc2NC1=O ZINC000186635513 883679254 /nfs/dbraw/zinc/67/92/54/883679254.db2.gz YJZYVIDLJZBSFP-QGZVFWFLSA-N 0 0 397.454 3.594 10 0 GHAERN C[C@H]1CN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)C[C@@H](c2ccsc2)O1 ZINC000186676323 883685976 /nfs/dbraw/zinc/68/59/76/883685976.db2.gz CCQSQULYSGMGIO-SJCJKPOMSA-N 0 0 386.477 3.719 10 0 GHAERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)N1CCC(Nc2nccs2)CC1 ZINC000186790376 883703121 /nfs/dbraw/zinc/70/31/21/883703121.db2.gz PJUBFDOGANOXHY-ROUUACIJSA-N 0 0 386.521 3.649 10 0 GHAERN CC1(C)OCc2cc(CN3CCCN(C(=O)c4cccs4)CC3)ccc2O1 ZINC000186776473 883711372 /nfs/dbraw/zinc/71/13/72/883711372.db2.gz MVNPXKJVHQNKMO-UHFFFAOYSA-N 0 0 386.517 3.741 10 0 GHAERN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CC[C@H](Oc2cccnc2)C1 ZINC000187239283 883773365 /nfs/dbraw/zinc/77/33/65/883773365.db2.gz QICCGBDPRDVNIB-IRXDYDNUSA-N 0 0 379.382 3.590 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(F)ccc21)N1CCC(Nc2nccs2)CC1 ZINC000187769937 883807600 /nfs/dbraw/zinc/80/76/00/883807600.db2.gz LLWQUGNCNMSRKB-MRXNPFEDSA-N 0 0 390.484 3.782 10 0 GHAERN O=C(NCc1ccc(Cl)cc1F)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000187868875 883809680 /nfs/dbraw/zinc/80/96/80/883809680.db2.gz DHEZMQPJOHFYHZ-CQSZACIVSA-N 0 0 387.846 3.611 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cc(Cl)ccc1Cl ZINC000188301228 883833712 /nfs/dbraw/zinc/83/37/12/883833712.db2.gz JKAFNLPHMOEHLA-LBPRGKRZSA-N 0 0 394.306 3.813 10 0 GHAERN O=C(c1cn2ccnc2s1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000188403394 883846959 /nfs/dbraw/zinc/84/69/59/883846959.db2.gz AZNWSUOCOFMSBV-HNNXBMFYSA-N 0 0 377.473 3.806 10 0 GHAERN O=C(c1cc(N2CCCC2)ccn1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000189060072 883900914 /nfs/dbraw/zinc/90/09/14/883900914.db2.gz OQLYLTIQEFAIQQ-NRFANRHFSA-N 0 0 399.922 3.921 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000189644299 883976580 /nfs/dbraw/zinc/97/65/80/883976580.db2.gz ZVAPEXPEBNHSFC-QGZVFWFLSA-N 0 0 384.426 3.787 10 0 GHAERN CCCNC(=O)c1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189798088 883996416 /nfs/dbraw/zinc/99/64/16/883996416.db2.gz VKELUKIVXBGKLZ-UHFFFAOYSA-N 0 0 378.472 3.535 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189853291 884017750 /nfs/dbraw/zinc/01/77/50/884017750.db2.gz ZPRBXVMDXBMQRU-IBGZPJMESA-N 0 0 394.496 3.585 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)C1 ZINC000190074225 884036375 /nfs/dbraw/zinc/03/63/75/884036375.db2.gz JJXZCSYGIRAGOL-ZTFGCOKTSA-N 0 0 387.480 3.566 10 0 GHAERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190240117 884060122 /nfs/dbraw/zinc/06/01/22/884060122.db2.gz WETLXPIJUKMCSB-OKYOBFRVSA-N 0 0 388.508 3.574 10 0 GHAERN O=C(c1ccc(N2CCOC2=O)cc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190282317 884064530 /nfs/dbraw/zinc/06/45/30/884064530.db2.gz PPLQGNWEHYZVHW-OAHLLOKOSA-N 0 0 386.398 3.941 10 0 GHAERN COc1ccc(C(=O)N2CCC(Cc3ccccn3)CC2)c(OC(F)F)c1 ZINC000190326225 884068532 /nfs/dbraw/zinc/06/85/32/884068532.db2.gz AKZBKPZUSAWWFI-UHFFFAOYSA-N 0 0 376.403 3.787 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190364239 884070739 /nfs/dbraw/zinc/07/07/39/884070739.db2.gz DVLIQTAWEWFHOI-YCPHGPKFSA-N 0 0 379.501 3.930 10 0 GHAERN O=C([C@H]1C[C@H]1c1cc(F)c(F)c(F)c1)N1CCC(Nc2nccs2)CC1 ZINC000190447815 884082822 /nfs/dbraw/zinc/08/28/22/884082822.db2.gz QQOKRDWUWACBQB-STQMWFEESA-N 0 0 381.423 3.767 10 0 GHAERN CCCCOc1cc(OCCC)ccc1C(=O)N1CCC(n2cncn2)CC1 ZINC000190792539 884123275 /nfs/dbraw/zinc/12/32/75/884123275.db2.gz XPNSIFADJLYBLO-UHFFFAOYSA-N 0 0 386.496 3.723 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3ccccc3C(C)(C)C)CC2)n1 ZINC000191794309 884211912 /nfs/dbraw/zinc/21/19/12/884211912.db2.gz PAJAFZRONPYKBK-UHFFFAOYSA-N 0 0 383.496 3.891 10 0 GHAERN CN1Cc2cc(NC(=O)Nc3ccn(Cc4ccccc4)n3)ccc2NC1=O ZINC000191686488 884213056 /nfs/dbraw/zinc/21/30/56/884213056.db2.gz MXTPTYRHTSKJNU-UHFFFAOYSA-N 0 0 376.420 3.553 10 0 GHAERN O=C(Nc1cc(C(F)(F)F)ccn1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000192421656 884261043 /nfs/dbraw/zinc/26/10/43/884261043.db2.gz IVXTUUHEWRMKCF-LBPRGKRZSA-N 0 0 390.369 3.555 10 0 GHAERN O=C(NCc1cc2ccccc2o1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192504989 884276984 /nfs/dbraw/zinc/27/69/84/884276984.db2.gz FJJYNBJYDIJDLB-UHFFFAOYSA-N 0 0 380.419 3.741 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)c3cc4ccccc4c(Cl)n3)CC2)no1 ZINC000192547849 884280283 /nfs/dbraw/zinc/28/02/83/884280283.db2.gz VCYZBBNASOCZAN-UHFFFAOYSA-N 0 0 398.850 3.676 10 0 GHAERN CC(=O)N1CCCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)CC1 ZINC000193067275 884325076 /nfs/dbraw/zinc/32/50/76/884325076.db2.gz FOTXXEGJRROITP-UHFFFAOYSA-N 0 0 397.523 3.564 10 0 GHAERN Cn1c2ccc(Cl)cc2nc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC000102826227 884486416 /nfs/dbraw/zinc/48/64/16/884486416.db2.gz UTMMTCXJWXDOBX-IBGZPJMESA-N 0 0 396.878 3.919 10 0 GHAERN CSc1nnnn1-c1cccc(NC(=O)CSc2ccc3c(c2)CCC3)c1 ZINC000105877478 884898355 /nfs/dbraw/zinc/89/83/55/884898355.db2.gz VIEJWASSGIFTKY-UHFFFAOYSA-N 0 0 397.529 3.604 10 0 GHAERN C[C@@H](c1nc(-c2cccs2)no1)N1CCC(c2nnc3ccccn32)CC1 ZINC000104058212 885238312 /nfs/dbraw/zinc/23/83/12/885238312.db2.gz CTLATPQOWGGWKL-ZDUSSCGKSA-N 0 0 380.477 3.781 10 0 GHAERN Cc1ccn2c(c1)ncc(C(=O)Nc1cccc(-c3nc4ccccc4[nH]3)c1)c2=O ZINC000104220633 885348017 /nfs/dbraw/zinc/34/80/17/885348017.db2.gz BDODGDUEDAXTFB-UHFFFAOYSA-N 0 0 395.422 3.799 10 0 GHAERN O=C(Nc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1)[C@H]1CCCO1 ZINC000303189090 885366743 /nfs/dbraw/zinc/36/67/43/885366743.db2.gz JNQUYURMANNBAA-DLBZAZTESA-N 0 0 385.489 3.628 10 0 GHAERN C[C@H](C(=O)Nc1cccnc1Cl)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000101561410 885946481 /nfs/dbraw/zinc/94/64/81/885946481.db2.gz WDRLSGMRROUEJS-CYBMUJFWSA-N 0 0 376.863 3.778 10 0 GHAERN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3cc(F)c(Cl)nc3Cl)cc2)n1 ZINC000103386299 885992165 /nfs/dbraw/zinc/99/21/65/885992165.db2.gz JDNRZGWOKSDZHI-UHFFFAOYSA-N 0 0 393.205 3.839 10 0 GHAERN Cc1nnc([C@@H](NC(=O)N[C@@H](COCC(C)C)c2ccco2)c2ccccc2)[nH]1 ZINC000105219359 886013086 /nfs/dbraw/zinc/01/30/86/886013086.db2.gz ZAJXCNHEVMYJPH-HKUYNNGSSA-N 0 0 397.479 3.509 10 0 GHAERN Cc1cccc(-c2noc(C[S@@](=O)CC(=O)Nc3c(C)cc(C)cc3C)n2)c1 ZINC000105689959 886019109 /nfs/dbraw/zinc/01/91/09/886019109.db2.gz IPAVANBKUCILHJ-MUUNZHRXSA-N 0 0 397.500 3.858 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cccc(Oc3ccncc3)c2)c2ccccc2)[nH]1 ZINC000112634566 886266080 /nfs/dbraw/zinc/26/60/80/886266080.db2.gz QQUNWCPDZFNUKA-FQEVSTJZSA-N 0 0 385.427 3.820 10 0 GHAERN Cn1ccnc1[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(F)c1 ZINC000114820681 886329009 /nfs/dbraw/zinc/32/90/09/886329009.db2.gz QKAHKVCBUOHRFY-WBVHZDCISA-N 0 0 399.495 3.694 10 0 GHAERN COc1cc(F)c([C@H](C)NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000114832301 886330535 /nfs/dbraw/zinc/33/05/35/886330535.db2.gz JWUIEZCYQJBTCK-QWHCGFSZSA-N 0 0 393.484 3.950 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(NC(=O)C4CC4)cc3)CC2)n1 ZINC000116999282 886373900 /nfs/dbraw/zinc/37/39/00/886373900.db2.gz QUUTZETUIAELIH-UHFFFAOYSA-N 0 0 393.491 3.529 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N1CC=C(c2cccs2)CC1 ZINC000117720263 886392406 /nfs/dbraw/zinc/39/24/06/886392406.db2.gz HFPGXIFTXGWPIA-FQEVSTJZSA-N 0 0 380.513 3.900 10 0 GHAERN Cc1nccn1-c1ccc(CNC(=O)N2CC=C(c3cccs3)CC2)cn1 ZINC000117960479 886396286 /nfs/dbraw/zinc/39/62/86/886396286.db2.gz HJLCMYJEKDTXKQ-UHFFFAOYSA-N 0 0 379.489 3.636 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000105151057 886407992 /nfs/dbraw/zinc/40/79/92/886407992.db2.gz AUVNQZXNEXMKTE-UHFFFAOYSA-N 0 0 381.520 3.794 10 0 GHAERN CCc1ncc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000118942753 886416646 /nfs/dbraw/zinc/41/66/46/886416646.db2.gz RZBVDKUDRYLLPM-MRXNPFEDSA-N 0 0 376.464 3.841 10 0 GHAERN Cc1cccc([C@H]2CCCN2C(=O)c2c[nH]c(C)c(Br)c2=O)n1 ZINC000119787088 886479067 /nfs/dbraw/zinc/47/90/67/886479067.db2.gz USSDPMLHKCNJKW-CQSZACIVSA-N 0 0 376.254 3.539 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CC[C@H](CSc3ccccc3)C1)CCC2 ZINC000332697256 886539700 /nfs/dbraw/zinc/53/97/00/886539700.db2.gz ZSOGJMLCTDRNRP-ZWKOTPCHSA-N 0 0 384.549 3.893 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@@H]3CCCc4cc(F)ccc43)CCO2)n1 ZINC000332707141 886539949 /nfs/dbraw/zinc/53/99/49/886539949.db2.gz BFDOTSXUPUHBOP-IAGOWNOFSA-N 0 0 375.469 3.751 10 0 GHAERN Cc1noc([C@H](NC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)C2CCOCC2)n1 ZINC000332783420 886543259 /nfs/dbraw/zinc/54/32/59/886543259.db2.gz ANKJYXJNGVFLQY-ZNZDAUKMSA-N 0 0 384.480 3.784 10 0 GHAERN Cn1cc([C@H]2CN(C(=O)N[C@H]3CCC[C@H](C(C)(C)C)CC3)C[C@@H]2C(N)=O)cn1 ZINC000332786511 886545599 /nfs/dbraw/zinc/54/55/99/886545599.db2.gz UOBQSIVRHREEAD-FJIDUMEYSA-N 0 0 389.544 3.675 10 0 GHAERN Cc1c(C(=O)N2CCC(Cc3nccn3C)CC2)cnn1-c1cccc(Cl)c1 ZINC000121999812 886572579 /nfs/dbraw/zinc/57/25/79/886572579.db2.gz WSNBCIRQIDUZLJ-UHFFFAOYSA-N 0 0 397.910 3.663 10 0 GHAERN CN(C(=O)c1cccc(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)c1)c1ccccc1 ZINC000122375362 886586633 /nfs/dbraw/zinc/58/66/33/886586633.db2.gz VYIBOCTXTXBYRW-WIYYLYMNSA-N 0 0 393.487 3.996 10 0 GHAERN O=C(c1cc(F)c(Cl)cc1F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000122423910 886588658 /nfs/dbraw/zinc/58/86/58/886588658.db2.gz GUCMQBXHLNKYCY-UHFFFAOYSA-N 0 0 384.854 3.873 10 0 GHAERN O=C(C[C@@H]1CCCN1C(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 ZINC000124126556 886708191 /nfs/dbraw/zinc/70/81/91/886708191.db2.gz XFWFMBDYAZSFGV-NRFANRHFSA-N 0 0 390.483 3.687 10 0 GHAERN O=C(Nc1cccc(CCC(F)(F)F)c1)NC1CCN(c2ncccn2)CC1 ZINC000124272887 886724948 /nfs/dbraw/zinc/72/49/48/886724948.db2.gz RRFIKDLNDSVILT-UHFFFAOYSA-N 0 0 393.413 3.762 10 0 GHAERN COc1cccc(C(=O)NC2CCN(C(=O)c3cccc4ccccc43)CC2)c1 ZINC000041995159 886741220 /nfs/dbraw/zinc/74/12/20/886741220.db2.gz CCUKDWZEHZQING-UHFFFAOYSA-N 0 0 388.467 3.883 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CCc3nnc(C4CCCC4)o3)C2)c1 ZINC000124464881 886751445 /nfs/dbraw/zinc/75/14/45/886751445.db2.gz YMTKGXZPPVLBEE-MRXNPFEDSA-N 0 0 399.491 3.693 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCCOc2ccccc2)c2ccccc2F)no1 ZINC000124569113 886766583 /nfs/dbraw/zinc/76/65/83/886766583.db2.gz XBZNCZWCOLGGNV-LJQANCHMSA-N 0 0 398.438 3.717 10 0 GHAERN COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c1C ZINC000042732702 886809106 /nfs/dbraw/zinc/80/91/06/886809106.db2.gz PWNBHFSVIFZSDM-HXUWFJFHSA-N 0 0 377.444 3.675 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000125173699 886835267 /nfs/dbraw/zinc/83/52/67/886835267.db2.gz ASKKSAPXDFKYKA-BQYQJAHWSA-N 0 0 375.856 3.930 10 0 GHAERN CC(=O)Nc1ccc(/C=C/C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000126087242 886930290 /nfs/dbraw/zinc/93/02/90/886930290.db2.gz TWBDSEAZKUSGPI-JWAFFJSPSA-N 0 0 376.416 3.586 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)C1CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000126286385 886953048 /nfs/dbraw/zinc/95/30/48/886953048.db2.gz UJHBQGGCYOXNMQ-JOCHJYFZSA-N 0 0 397.563 3.832 10 0 GHAERN Cc1ccc(NC(=O)c2nnc(CN[C@H]3CCCC[C@H]3n3cccn3)s2)cc1 ZINC000128032355 887138425 /nfs/dbraw/zinc/13/84/25/887138425.db2.gz TYZDGJGWZSWCSX-DLBZAZTESA-N 0 0 396.520 3.569 10 0 GHAERN C[C@@H](NC(=O)c1cc(Br)cnc1Cl)[C@@H]1COc2ccccc21 ZINC000128436350 887186177 /nfs/dbraw/zinc/18/61/77/887186177.db2.gz IYYXBTHCSUOQTI-RNCFNFMXSA-N 0 0 381.657 3.792 10 0 GHAERN Cc1c2ccccc2oc1[C@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC000046649683 887215513 /nfs/dbraw/zinc/21/55/13/887215513.db2.gz LQCSMZOHAOKUNJ-AWEZNQCLSA-N 0 0 376.416 3.996 10 0 GHAERN COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2C)CC1 ZINC000128918075 887242376 /nfs/dbraw/zinc/24/23/76/887242376.db2.gz JOJDGLAXCQNLNI-UXHICEINSA-N 0 0 392.499 3.984 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1C ZINC000105049867 887339473 /nfs/dbraw/zinc/33/94/73/887339473.db2.gz DQLRRQLTUJYGIM-UHFFFAOYSA-N 0 0 381.476 3.885 10 0 GHAERN O=C(Nc1cccc(N2CCCC2=O)c1)NC1CCN(c2cccs2)CC1 ZINC000130365596 887423203 /nfs/dbraw/zinc/42/32/03/887423203.db2.gz PXSSHRZKFCXLMB-UHFFFAOYSA-N 0 0 384.505 3.665 10 0 GHAERN O=C(Nc1cccc(-n2ccnn2)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000130468254 887436040 /nfs/dbraw/zinc/43/60/40/887436040.db2.gz OHFBGXIZTWUILX-UHFFFAOYSA-N 0 0 380.427 3.515 10 0 GHAERN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)N1CCN(C2CC2)CC1 ZINC000105076409 887453190 /nfs/dbraw/zinc/45/31/90/887453190.db2.gz GRFBEXQKEPCSCY-OAQYLSRUSA-N 0 0 388.515 3.789 10 0 GHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000131058834 887503907 /nfs/dbraw/zinc/50/39/07/887503907.db2.gz VNHYWODPNWSPLH-RTBURBONSA-N 0 0 388.471 3.950 10 0 GHAERN CCOc1cc(NC(=O)NC2CCN(c3cccs3)CC2)ccc1OC ZINC000131803822 887576600 /nfs/dbraw/zinc/57/66/00/887576600.db2.gz JEOAYUOAMRDJEF-UHFFFAOYSA-N 0 0 375.494 3.946 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)CCO2)o1 ZINC000132006499 887598230 /nfs/dbraw/zinc/59/82/30/887598230.db2.gz ANEGROCLYYNCKR-GOSISDBHSA-N 0 0 388.851 3.582 10 0 GHAERN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)N(Cc1ccco1)C1CCCC1 ZINC000105135702 887678305 /nfs/dbraw/zinc/67/83/05/887678305.db2.gz OJHNFYSKHXSXRE-QFIPXVFZSA-N 0 0 397.519 3.807 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)n1 ZINC000132748173 887695013 /nfs/dbraw/zinc/69/50/13/887695013.db2.gz JSFWTSSYNDGLHL-UHFFFAOYSA-N 0 0 377.448 3.836 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N3CCc4c5ccccc5[nH]c4C3)CC2)n1 ZINC000133696516 887790807 /nfs/dbraw/zinc/79/08/07/887790807.db2.gz REYDQYJPJJQFNK-UHFFFAOYSA-N 0 0 389.503 3.608 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCCCCc2cccs2)C1 ZINC000134296092 887850278 /nfs/dbraw/zinc/85/02/78/887850278.db2.gz ISEASWXWXVNCEU-QFBILLFUSA-N 0 0 375.538 3.557 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC000134359002 887864129 /nfs/dbraw/zinc/86/41/29/887864129.db2.gz CUDWLZRXZKTTHF-CBJHCWRLSA-N 0 0 375.557 3.935 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCCN(c3ccccc3)CC2)n1 ZINC000134792659 887912766 /nfs/dbraw/zinc/91/27/66/887912766.db2.gz DGVBZPJMRKPNOM-UHFFFAOYSA-N 0 0 376.451 3.829 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3nn(CC(C)C)cc3C(F)F)CC2)n1 ZINC000135084920 887942813 /nfs/dbraw/zinc/94/28/13/887942813.db2.gz BIWOMBSSBMIYFB-UHFFFAOYSA-N 0 0 391.466 3.579 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)NCc2nnc(-c3ccccc3)s2)n1 ZINC000135398558 888235791 /nfs/dbraw/zinc/23/57/91/888235791.db2.gz GNYYDHXOLNNMMH-UHFFFAOYSA-N 0 0 391.447 3.925 10 0 GHAERN O=C(c1ccnc(OCC(F)F)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000135915186 888268466 /nfs/dbraw/zinc/26/84/66/888268466.db2.gz GDCRLCZJTRUIEL-UHFFFAOYSA-N 0 0 379.382 3.581 10 0 GHAERN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCc2ccc3ccccc3c2)CC1 ZINC000105270923 888286851 /nfs/dbraw/zinc/28/68/51/888286851.db2.gz IBRMPIIILITVRU-QGZVFWFLSA-N 0 0 381.520 3.922 10 0 GHAERN O=C(Nc1ccc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)cc1)c1ccco1 ZINC000137006688 888328405 /nfs/dbraw/zinc/32/84/05/888328405.db2.gz XZVSNHSEXCOQJL-SFHVURJKSA-N 0 0 392.415 3.612 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1OCC(F)F ZINC000137323359 888348405 /nfs/dbraw/zinc/34/84/05/888348405.db2.gz BAWARGFVFHSIEB-MRXNPFEDSA-N 0 0 377.391 3.719 10 0 GHAERN O=C(NC1CCN(C(=O)C2CCCCC2)CC1)N1CCC[C@@H]1C1CCCC1 ZINC000056845630 888381588 /nfs/dbraw/zinc/38/15/88/888381588.db2.gz OKQIMWDGSSQPPW-HXUWFJFHSA-N 0 0 375.557 3.922 10 0 GHAERN CC[C@H](NC(=O)NC1CCN(C(=O)c2ccccc2F)CC1)c1cccs1 ZINC000057243516 888392864 /nfs/dbraw/zinc/39/28/64/888392864.db2.gz FAKZXWJHXZPEHY-KRWDZBQOSA-N 0 0 389.496 3.942 10 0 GHAERN COc1cc(C(=O)NCCc2nc(-c3ccccc3)oc2C)cc(OC)c1OC ZINC000062576081 888507985 /nfs/dbraw/zinc/50/79/85/888507985.db2.gz ZRTYDKAGYMHKMN-UHFFFAOYSA-N 0 0 396.443 3.648 10 0 GHAERN CC[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1)c1cccs1 ZINC000194029726 888547838 /nfs/dbraw/zinc/54/78/38/888547838.db2.gz JSEUTAIUVZPJCO-HNNXBMFYSA-N 0 0 387.505 3.965 10 0 GHAERN O=C(NCCc1ccccc1Cl)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000194498095 888592173 /nfs/dbraw/zinc/59/21/73/888592173.db2.gz OWCCRORWMAXVRB-MRXNPFEDSA-N 0 0 383.883 3.514 10 0 GHAERN Clc1cc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c2c(c1)COCO2 ZINC000195510741 888685366 /nfs/dbraw/zinc/68/53/66/888685366.db2.gz RCJZUWKHUCDVHR-KRWDZBQOSA-N 0 0 388.899 3.862 10 0 GHAERN COCc1c(Br)cccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245788135 889726589 /nfs/dbraw/zinc/72/65/89/889726589.db2.gz IJOCTVUADZMHEN-HFBAOOFYSA-N 0 0 395.297 3.675 10 0 GHAERN COCc1ccccc1NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901409 889977373 /nfs/dbraw/zinc/97/73/73/889977373.db2.gz UENSTZARUJCIIW-RTBURBONSA-N 0 0 375.419 3.678 10 0 GHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245985854 890129383 /nfs/dbraw/zinc/12/93/83/890129383.db2.gz HOKLQHPBDYXSDP-QKYXUNIQSA-N 0 0 387.524 3.703 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246140364 890509522 /nfs/dbraw/zinc/50/95/22/890509522.db2.gz XEKIIWPBGHEFSD-HDMKZQKVSA-N 0 0 388.464 3.656 10 0 GHAERN COc1ccc(-c2noc([C@@H](C)N3CCC[C@@H](c4nncn4C4CC4)C3)n2)cc1 ZINC000246155308 890557863 /nfs/dbraw/zinc/55/78/63/890557863.db2.gz TYQBPBABPHONGR-GDBMZVCRSA-N 0 0 394.479 3.612 10 0 GHAERN C[C@H](O)c1ccc(CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000246312322 890995197 /nfs/dbraw/zinc/99/51/97/890995197.db2.gz BIUVKEAPTGSEJM-IWMITWMQSA-N 0 0 386.467 3.677 10 0 GHAERN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067048359 891140983 /nfs/dbraw/zinc/14/09/83/891140983.db2.gz ZKVBOMJPBPJSHQ-WMZOPIPTSA-N 0 0 386.517 3.838 10 0 GHAERN O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067047826 891141027 /nfs/dbraw/zinc/14/10/27/891141027.db2.gz XGOGMSRAWRYJQN-AWEZNQCLSA-N 0 0 390.530 3.923 10 0 GHAERN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000067564109 891154978 /nfs/dbraw/zinc/15/49/78/891154978.db2.gz MTWHRFOHYLGYOH-WOJBJXKFSA-N 0 0 387.499 3.506 10 0 GHAERN O=C(COc1ccccc1OCC(F)(F)F)Nc1cccc(-c2ncon2)c1 ZINC000067923474 891163889 /nfs/dbraw/zinc/16/38/89/891163889.db2.gz OVOYBOZFUZQQHI-UHFFFAOYSA-N 0 0 393.321 3.695 10 0 GHAERN CC(C)[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1nc(C2CC2)no1 ZINC000246574911 891288651 /nfs/dbraw/zinc/28/86/51/891288651.db2.gz LGRVXWWAOBBNHA-INMHGKMJSA-N 0 0 388.468 3.535 10 0 GHAERN CC(C)OCCOCc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000246635901 891295683 /nfs/dbraw/zinc/29/56/83/891295683.db2.gz CFQCECDYPUQPCY-ZCNNSNEGSA-N 0 0 376.497 3.707 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1ccc(N2CCOC2=O)cc1 ZINC000246716172 891300299 /nfs/dbraw/zinc/30/02/99/891300299.db2.gz LDRFLSKHDDNYAG-RSDPBLMXSA-N 0 0 376.456 3.725 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@]12CCc1ccccc12)c1cccc(N2CCOC2=O)c1 ZINC000246821885 891311562 /nfs/dbraw/zinc/31/15/62/891311562.db2.gz XIUGVKJZNFMUKX-RSDPBLMXSA-N 0 0 376.456 3.725 10 0 GHAERN CCOc1ccc(-c2nc(CN(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)co2)cc1 ZINC000246885406 891320089 /nfs/dbraw/zinc/32/00/89/891320089.db2.gz QRXUXTIEZWYLHI-RBUKOAKNSA-N 0 0 392.521 3.528 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1sccc1Br ZINC000247218521 891356252 /nfs/dbraw/zinc/35/62/52/891356252.db2.gz MWZMOEJIWVBRNF-SWLSCSKDSA-N 0 0 394.338 3.546 10 0 GHAERN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000247220680 891356677 /nfs/dbraw/zinc/35/66/77/891356677.db2.gz OBWGUNRBHMBVAK-USXIJHARSA-N 0 0 391.874 3.576 10 0 GHAERN O=C(Nc1nc(-c2cccnc2)cs1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000247516508 891381111 /nfs/dbraw/zinc/38/11/11/891381111.db2.gz VVKPEKFURHNCKW-AWEZNQCLSA-N 0 0 398.513 3.758 10 0 GHAERN CN(Cc1nnc(C2CC2)n1C1CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248386376 891422351 /nfs/dbraw/zinc/42/23/51/891422351.db2.gz MJEGFUPNADKFMX-AEFFLSMTSA-N 0 0 393.318 3.887 10 0 GHAERN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000248663966 891454632 /nfs/dbraw/zinc/45/46/32/891454632.db2.gz KKCWZKASXAWKDE-LZWOXQAQSA-N 0 0 380.485 3.639 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)c2ccc(F)cc2C1 ZINC000248723576 891461672 /nfs/dbraw/zinc/46/16/72/891461672.db2.gz MMLIYENBLTVRNM-FQZPYLGXSA-N 0 0 375.488 3.743 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c2ccc(F)cc2C1 ZINC000248777222 891468129 /nfs/dbraw/zinc/46/81/29/891468129.db2.gz ZDZUIKAHBHWTDM-SMHQJORMSA-N 0 0 375.488 3.743 10 0 GHAERN CN1CC[C@H](CNC(=O)c2ccnc(F)c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248814471 891471617 /nfs/dbraw/zinc/47/16/17/891471617.db2.gz CTWFNDMLYJICQP-BDJLRTHQSA-N 0 0 383.801 3.575 10 0 GHAERN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000249399730 891504803 /nfs/dbraw/zinc/50/48/03/891504803.db2.gz SLQGNCPAOPMNNL-ZNZDAUKMSA-N 0 0 385.847 3.930 10 0 GHAERN O=S(=O)(c1cccc2cccnc21)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000252692563 891725169 /nfs/dbraw/zinc/72/51/69/891725169.db2.gz DAUWVLJQTFLKAW-HZPDHXFCSA-N 0 0 388.514 3.573 10 0 GHAERN CC(C)(C)N1CC[C@H](NC(=O)c2cc[nH]c(=O)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000253558987 891881269 /nfs/dbraw/zinc/88/12/69/891881269.db2.gz TUCGVJRRFQWRKF-FUHWJXTLSA-N 0 0 391.874 3.924 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282067008 892604214 /nfs/dbraw/zinc/60/42/14/892604214.db2.gz BMMZZYZDGLQGGY-GUDVDZBRSA-N 0 0 376.472 3.525 10 0 GHAERN C[C@@H](NC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1)c1ccc(Cl)s1 ZINC000152209336 895019534 /nfs/dbraw/zinc/01/95/34/895019534.db2.gz VTNIOZWIZSEQNH-OLZOCXBDSA-N 0 0 379.917 3.563 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2CCC(Cc3ccccc3OC)CC2)cc1 ZINC000102379109 898007595 /nfs/dbraw/zinc/00/75/95/898007595.db2.gz GTAQUJVMXVFKDN-UHFFFAOYSA-N 0 0 392.499 3.592 10 0 GHAERN CN(C[C@@H]1CCCO1)C(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000102898148 898046085 /nfs/dbraw/zinc/04/60/85/898046085.db2.gz FACSHCKPFFJCMZ-AWEZNQCLSA-N 0 0 383.473 3.766 10 0 GHAERN COc1cccc(-c2nsc(NC(=O)CSCc3c(C)noc3C)n2)c1 ZINC000102911046 898047005 /nfs/dbraw/zinc/04/70/05/898047005.db2.gz RJUWQEUGJPWGKI-UHFFFAOYSA-N 0 0 390.490 3.690 10 0 GHAERN CC[C@@H](NC(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)c1nc(C)cs1 ZINC000104795632 898165759 /nfs/dbraw/zinc/16/57/59/898165759.db2.gz XJJZOHVGQYWISS-MAUKXSAKSA-N 0 0 388.537 3.737 10 0 GHAERN O=C(C[C@H]1CCOc2ccccc21)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000333530771 902167068 /nfs/dbraw/zinc/16/70/68/902167068.db2.gz YAFKMTODXOAMIK-UONOGXRCSA-N 0 0 393.409 3.537 10 0 GHAERN CC(C)(CNC(=O)N1C[C@H](c2ccccc2)C2(CCC2)C1)C1(O)CCOCC1 ZINC000333868099 902382741 /nfs/dbraw/zinc/38/27/41/902382741.db2.gz BETOAPICBOPABO-LJQANCHMSA-N 0 0 386.536 3.533 10 0 GHAERN Cc1ccc(C)c(-n2cnc3cc(C(=O)N4C[C@@H]5CC[C@@H](O)C[C@@H]5C4)ccc32)c1 ZINC000333989058 902484290 /nfs/dbraw/zinc/48/42/90/902484290.db2.gz IQTXAXRFSOBKFE-XUVXKRRUSA-N 0 0 389.499 3.875 10 0 GHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC000334028114 902514730 /nfs/dbraw/zinc/51/47/30/902514730.db2.gz IYBKLUIVULMWGW-GHTZIAJQSA-N 0 0 383.536 3.887 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)c2)cs1 ZINC000179356221 906481859 /nfs/dbraw/zinc/48/18/59/906481859.db2.gz GGFKVUWKQNARTC-KRWDZBQOSA-N 0 0 383.477 3.516 10 0 GHAERN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCO[C@H](c2nccs2)C1 ZINC000181026380 906902166 /nfs/dbraw/zinc/90/21/66/906902166.db2.gz ZUVOALPOIFEACL-HOCLYGCPSA-N 0 0 393.896 3.793 10 0 GHAERN O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183074546 907322170 /nfs/dbraw/zinc/32/21/70/907322170.db2.gz CSIOVOKLQSTWPA-ZDUSSCGKSA-N 0 0 388.378 3.713 10 0 GHAERN CCC(CC)C(=O)N1CCC(NC(=O)N2CCC[C@H]2c2csc(C)n2)CC1 ZINC000186241249 907894487 /nfs/dbraw/zinc/89/44/87/907894487.db2.gz BZJZBUAGCGBKCT-SFHVURJKSA-N 0 0 392.569 3.725 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N3CCC[C@H]3c3csc(C)n3)c2)no1 ZINC000187140802 908046368 /nfs/dbraw/zinc/04/63/68/908046368.db2.gz ISQBNZGLQWXVPM-KRWDZBQOSA-N 0 0 384.461 3.699 10 0 GHAERN Cc1nc(-c2ccc(S(=O)(=O)N3CCC[C@H]3c3csc(C)n3)cc2)co1 ZINC000188022694 908168179 /nfs/dbraw/zinc/16/81/79/908168179.db2.gz QNJYFODSFYARIR-SFHVURJKSA-N 0 0 389.502 3.941 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2oc3ccc(Cl)cc3c2C)C1 ZINC000189080525 908280650 /nfs/dbraw/zinc/28/06/50/908280650.db2.gz RHTPKHVAHXGDQW-GXTWGEPZSA-N 0 0 375.812 3.688 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3cccc(F)c3c2C)C1 ZINC000189101427 908284229 /nfs/dbraw/zinc/28/42/29/908284229.db2.gz RMZLIYKCGPDERJ-WCQYABFASA-N 0 0 375.425 3.642 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)cs1 ZINC000190007120 908401113 /nfs/dbraw/zinc/40/11/13/908401113.db2.gz JUWOHKIKEITZTO-ZBEGNZNMSA-N 0 0 377.897 3.587 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCCOc2cc(C)ccc2C)C1 ZINC000190007510 908401119 /nfs/dbraw/zinc/40/11/19/908401119.db2.gz ITXIJGJICKKFRE-MSOLQXFVSA-N 0 0 387.480 3.533 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(C3CC3)nc3ccc(F)cc32)C1 ZINC000190018870 908405092 /nfs/dbraw/zinc/40/50/92/908405092.db2.gz SEFJYAQHVAJWRF-KUHUBIRLSA-N 0 0 396.422 3.545 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000190025989 908406348 /nfs/dbraw/zinc/40/63/48/908406348.db2.gz ZJMIDLJKHNLQHG-WFASDCNBSA-N 0 0 387.823 3.894 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000190029408 908408505 /nfs/dbraw/zinc/40/85/05/908408505.db2.gz HHNYLMOTVBCSHE-GWCFXTLKSA-N 0 0 389.761 3.652 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000190053888 908414486 /nfs/dbraw/zinc/41/44/86/908414486.db2.gz MLIOBTCNHKKROU-RDJZCZTQSA-N 0 0 387.505 3.772 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccc(Cl)c(Br)c2)C1 ZINC000190143105 908438539 /nfs/dbraw/zinc/43/85/39/908438539.db2.gz NJAQPJKPSIXWMK-RISCZKNCSA-N 0 0 386.677 3.756 10 0 GHAERN COc1cccc(CCC(=O)OCC[C@H]2CCCCN2C(=O)c2cccn2C)c1 ZINC000103816075 911184841 /nfs/dbraw/zinc/18/48/41/911184841.db2.gz KEYZQJAHPYEVEI-LJQANCHMSA-N 0 0 398.503 3.595 10 0 GHAERN O=C(O[C@H](c1ccccc1)c1cccnc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103838025 911629916 /nfs/dbraw/zinc/62/99/16/911629916.db2.gz FLWQFDXZQNWWBL-LJQANCHMSA-N 0 0 391.818 3.657 10 0 GHAERN Cc1ccnc2nc(C(=O)N3CCC[C@H]3C[C@H]3CCCc4ccccc43)nn21 ZINC000365131815 920412818 /nfs/dbraw/zinc/41/28/18/920412818.db2.gz AMDIDPVFAJZBFZ-MSOLQXFVSA-N 0 0 375.476 3.548 10 0 GHAERN COC(=O)c1cc(NC(=O)/C=C\c2c(F)cccc2Cl)cc(C(=O)OC)c1 ZINC000006007948 220912229 /nfs/dbraw/zinc/91/22/29/220912229.db2.gz JEURDRTWKONSJH-SREVYHEPSA-N 0 0 391.782 3.704 10 0 GHAERN O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000008341098 221037823 /nfs/dbraw/zinc/03/78/23/221037823.db2.gz VWJQPKQTWAPVTK-KRWDZBQOSA-N 0 0 390.472 3.639 10 0 GHAERN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)c3c(N)ncnc3n2)cc1 ZINC000009694570 221090400 /nfs/dbraw/zinc/09/04/00/221090400.db2.gz AOOQNPJDRGTTPW-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Fc1ccc(-c2noc3c2CN(Cc2ccc4c(c2)OCCO4)CC3)cc1F ZINC000011753913 221125226 /nfs/dbraw/zinc/12/52/26/221125226.db2.gz NWAAIKRBNXRLLU-UHFFFAOYSA-N 0 0 384.382 3.949 10 0 GHAERN Cc1ccc(OCc2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1C ZINC000012320332 221181838 /nfs/dbraw/zinc/18/18/38/221181838.db2.gz DUVGGSWFHYPJLX-UHFFFAOYSA-N 0 0 391.471 3.833 10 0 GHAERN CSc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(F)c3)C2)cc1 ZINC000012835967 221237195 /nfs/dbraw/zinc/23/71/95/221237195.db2.gz BMEJILNBJZFVAC-KRWDZBQOSA-N 0 0 386.492 3.603 10 0 GHAERN CCCc1cc(C(=O)NC[C@@H]2Cc3c(c(-c4ccncc4)ccc3F)O2)no1 ZINC000014987149 221324587 /nfs/dbraw/zinc/32/45/87/221324587.db2.gz GPRVPQRLLSSGBO-HNNXBMFYSA-N 0 0 381.407 3.562 10 0 GHAERN Cc1ccc(F)c(NC(=O)[C@H]2CCCN(c3cnc4nc(C)c(C)nc4c3)C2)c1 ZINC000065227225 136160404 /nfs/dbraw/zinc/16/04/04/136160404.db2.gz QBXRADXZKBTTPZ-INIZCTEOSA-N 0 0 393.466 3.944 10 0 GHAERN COc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2ccc(F)cc2F)c1 ZINC000023318152 221591784 /nfs/dbraw/zinc/59/17/84/221591784.db2.gz QTFZNOSLPSKBBE-UHFFFAOYSA-N 0 0 388.370 3.875 10 0 GHAERN O=C(NCCc1ccncc1)[C@@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266274 222118504 /nfs/dbraw/zinc/11/85/04/222118504.db2.gz WBTJVTDWQIWWIE-SFHVURJKSA-N 0 0 397.544 3.525 10 0 GHAERN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cn1 ZINC000095075120 222329065 /nfs/dbraw/zinc/32/90/65/222329065.db2.gz SFZJENJLTLRPMQ-ZDUSSCGKSA-N 0 0 384.318 3.927 10 0 GHAERN FC(F)(F)c1c2c(I)c[nH]c2ncc1Br ZINC000095937006 222361168 /nfs/dbraw/zinc/36/11/68/222361168.db2.gz BXJVUNUBCBJXAO-UHFFFAOYSA-N 0 0 390.928 3.949 10 0 GHAERN COc1ccc(C2=NC3(CCN(C(=O)OC(C)(C)C)CC3)N=C2SC)cc1 ZINC000085346540 523873315 /nfs/dbraw/zinc/87/33/15/523873315.db2.gz ARHCBWFTSKNOLM-UHFFFAOYSA-N 0 0 389.521 3.987 10 0 GHAERN COc1ccc(CNC(=O)/C=C/c2c3c(ccc2Br)OCO3)cc1 ZINC000048545720 570251309 /nfs/dbraw/zinc/25/13/09/570251309.db2.gz RXHUOJYWGKRSKQ-RMKNXTFCSA-N 0 0 390.233 3.516 10 0 GHAERN CC(/C=C/c1ccccc1)=N\NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000048572149 570251651 /nfs/dbraw/zinc/25/16/51/570251651.db2.gz QWGFDDXGAYRRDS-MOTGWWFASA-N 0 0 390.270 3.929 10 0 GHAERN CCNC(=O)N1C[C@H](C(=O)NCc2ccccc2F)C[C@H](c2cccc(C)c2)C1 ZINC000034710923 570303166 /nfs/dbraw/zinc/30/31/66/570303166.db2.gz OYOVIYDQFYWGBQ-VQTJNVASSA-N 0 0 397.494 3.586 10 0 GHAERN COc1ccc(Cl)cc1-c1ccc2nc(C(=O)NCc3ccccn3)cn2c1 ZINC000034831138 570335021 /nfs/dbraw/zinc/33/50/21/570335021.db2.gz SLVCKNMPTCWFTJ-UHFFFAOYSA-N 0 0 392.846 3.988 10 0 GHAERN Cc1cc(C)c2c(c1)nc(-c1cnc(N)nc1)cc2C(=O)N[C@H](C)C(F)(F)F ZINC000023429055 570362093 /nfs/dbraw/zinc/36/20/93/570362093.db2.gz SRLYRXHPRMLOAJ-LLVKDONJSA-N 0 0 389.381 3.571 10 0 GHAERN Cc1cccc(N2CCN(c3ncnc4c3nc3n4CCCCC3)C[C@@H]2C)c1 ZINC000006899600 570411505 /nfs/dbraw/zinc/41/15/05/570411505.db2.gz PJEVCNLIJCPGMO-KRWDZBQOSA-N 0 0 376.508 3.576 10 0 GHAERN CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1c1ccccc1OC ZINC000036051797 570523149 /nfs/dbraw/zinc/52/31/49/570523149.db2.gz ZWPIHQXYVBHNGE-RTWAWAEBSA-N 0 0 394.515 3.776 10 0 GHAERN C=CCN(CC=C)C(=O)c1ccc(NN=C2c3cc(C)cc(C)c3NC2=O)cc1 ZINC000022634648 570758256 /nfs/dbraw/zinc/75/82/56/570758256.db2.gz MHFIXFWSQUIZLS-UHFFFAOYSA-N 0 0 388.471 3.886 10 0 GHAERN CC(C)c1ccc2c(c1)[C@@]1(C[C@H]1C(=O)N[C@@H](C)c1nnc3ccccn31)CCO2 ZINC000583619696 570800349 /nfs/dbraw/zinc/80/03/49/570800349.db2.gz JWZGQDYARRVQCN-WIRVKHDMSA-N 0 0 390.487 3.770 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000332795755 837444286 /nfs/dbraw/zinc/44/42/86/837444286.db2.gz HYELIKJADANPKH-TZIWHRDSSA-N 0 0 396.535 3.834 10 0 GHAERN CCc1ccc(NC(=O)[C@@H](C)[S@](=O)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000105689750 837582267 /nfs/dbraw/zinc/58/22/67/837582267.db2.gz RRZCIFOLNVEENY-JMGYQRAPSA-N 0 0 397.500 3.883 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)N[C@@H]3CCOC4(CCCC4)C3)C2)c1 ZINC000157180376 834788855 /nfs/dbraw/zinc/78/88/55/834788855.db2.gz TYHCVEAFXLXQIV-FUHWJXTLSA-N 0 0 388.508 3.695 10 0 GHAERN COc1ccc(C2(C(=O)N3CCC[C@@H](Cn4nc(C)nc4C)C3)CCCC2)cc1 ZINC000329341850 834871994 /nfs/dbraw/zinc/87/19/94/834871994.db2.gz SICNKGIRABVGTB-LJQANCHMSA-N 0 0 396.535 3.654 10 0 GHAERN Cc1ccc(N(C)C2CCN(C(=O)c3cccc(OC4CCCC4)c3)CC2)nn1 ZINC000329401734 834980468 /nfs/dbraw/zinc/98/04/68/834980468.db2.gz WGILYFZYPPECQU-UHFFFAOYSA-N 0 0 394.519 3.847 10 0 GHAERN O=C(c1[nH]nc(-c2ccccc2)c1Br)N1CCO[C@@H]2CCCC[C@H]21 ZINC000068437276 834980602 /nfs/dbraw/zinc/98/06/02/834980602.db2.gz WRHCSMGKDSDVQK-ZIAGYGMSSA-N 0 0 390.281 3.623 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000246798244 835088979 /nfs/dbraw/zinc/08/89/79/835088979.db2.gz AGARPNDYBAWSOF-KZNAEPCWSA-N 0 0 389.565 3.586 10 0 GHAERN O=C(c1cc(Cl)c2ccccc2n1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000408452273 844039473 /nfs/dbraw/zinc/03/94/73/844039473.db2.gz MFSDDZLHWKQZBH-YJYMSZOUSA-N 0 0 383.879 3.504 10 0 GHAERN CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)cc2)no1 ZINC000329607712 835362026 /nfs/dbraw/zinc/36/20/26/835362026.db2.gz CKPKZTQLYHKEEF-GOSISDBHSA-N 0 0 382.508 3.636 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000158565767 835438266 /nfs/dbraw/zinc/43/82/66/835438266.db2.gz KIRJJAOSQIRXNJ-HNNXBMFYSA-N 0 0 384.871 3.719 10 0 GHAERN CC[C@H](C)c1ccc(S(=O)(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000245840288 844084491 /nfs/dbraw/zinc/08/44/91/844084491.db2.gz FZQCSDKPIGQUBE-HOCLYGCPSA-N 0 0 377.510 3.535 10 0 GHAERN CN1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)[C@H]1c1ccc(Cl)cc1 ZINC000246003899 835868048 /nfs/dbraw/zinc/86/80/48/835868048.db2.gz SCYVVAMSPQWOCZ-GBESFXJTSA-N 0 0 387.915 3.745 10 0 GHAERN Cc1noc(CN2CCN(C(=O)c3oc4c(ccc5ccccc45)c3C)CC2)n1 ZINC000328655927 836549699 /nfs/dbraw/zinc/54/96/99/836549699.db2.gz NHTDVZOEMZJTNI-UHFFFAOYSA-N 0 0 390.443 3.544 10 0 GHAERN Cn1ccnc1[C@H]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332756079 836557444 /nfs/dbraw/zinc/55/74/44/836557444.db2.gz BMBRXYRIGDKLIG-FUHWJXTLSA-N 0 0 380.492 3.756 10 0 GHAERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000332774020 836586578 /nfs/dbraw/zinc/58/65/78/836586578.db2.gz ZJSMGTPRDXCOHI-MJPMAJQWSA-N 0 0 389.446 3.882 10 0 GHAERN CC(C)c1nnc([C@H]2COCCN2C(=O)c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000275376237 836944448 /nfs/dbraw/zinc/94/44/48/836944448.db2.gz OLJWDUUCHUASMF-GXTWGEPZSA-N 0 0 375.494 3.593 10 0 GHAERN O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177514537 838008802 /nfs/dbraw/zinc/00/88/02/838008802.db2.gz JHCVPHVIQWHKTR-LLVKDONJSA-N 0 0 383.395 3.507 10 0 GHAERN Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)[nH]1 ZINC000407981985 838387331 /nfs/dbraw/zinc/38/73/31/838387331.db2.gz WMLKVICOVNOWSB-CYBMUJFWSA-N 0 0 385.212 3.521 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2F)[nH]1 ZINC000407981988 838387361 /nfs/dbraw/zinc/38/73/61/838387361.db2.gz WMLKVICOVNOWSB-ZDUSSCGKSA-N 0 0 385.212 3.521 10 0 GHAERN O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(c2nnc3ccccn32)CC1 ZINC000408021344 838661473 /nfs/dbraw/zinc/66/14/73/838661473.db2.gz QGDFZIKAYMSKTD-GJZGRUSLSA-N 0 0 380.414 3.804 10 0 GHAERN O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000182533335 838751610 /nfs/dbraw/zinc/75/16/10/838751610.db2.gz NYMMTLKGIIMPTL-HWPZZCPQSA-N 0 0 389.240 3.886 10 0 GHAERN O=C(CCSc1ccc(Br)cc1)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181375131 838787130 /nfs/dbraw/zinc/78/71/30/838787130.db2.gz DKSWULLWSFRORJ-CQSZACIVSA-N 0 0 395.326 3.803 10 0 GHAERN Cc1nc(C)n(C[C@@H]2CCCN(C(=O)NCC(C)(C)c3ccc(C)cc3)C2)n1 ZINC000117045201 839538723 /nfs/dbraw/zinc/53/87/23/839538723.db2.gz WBUFFKWMHZRTOT-LJQANCHMSA-N 0 0 383.540 3.603 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)C1 ZINC000246411837 839685345 /nfs/dbraw/zinc/68/53/45/839685345.db2.gz LWQZAKOHIDAUKP-RLLQIKCJSA-N 0 0 397.519 3.681 10 0 GHAERN O=C(c1ccc(OC2CCCCC2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000117792699 839835449 /nfs/dbraw/zinc/83/54/49/839835449.db2.gz XXXVXNBWWNEMSX-UHFFFAOYSA-N 0 0 380.492 3.905 10 0 GHAERN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000588393018 840398374 /nfs/dbraw/zinc/39/83/74/840398374.db2.gz PXPDUQRNFZXPFT-XOQYZJNISA-N 0 0 396.462 3.712 10 0 GHAERN O=C(N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000332724776 844546799 /nfs/dbraw/zinc/54/67/99/844546799.db2.gz QVZILPIDKQBUCN-RDJZCZTQSA-N 0 0 395.425 3.657 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cc1 ZINC000110516075 840595554 /nfs/dbraw/zinc/59/55/54/840595554.db2.gz HMPIKLUYZXYEFV-QRWLVFNGSA-N 0 0 398.890 3.744 10 0 GHAERN C[C@@]1(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)Cc2ccccc2C(=O)O1 ZINC000002430229 840755800 /nfs/dbraw/zinc/75/58/00/840755800.db2.gz MKLGBUBBDWOTSM-NRFANRHFSA-N 0 0 396.443 3.983 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000106209760 840766103 /nfs/dbraw/zinc/76/61/03/840766103.db2.gz PIOXZRQZDOWNLD-KSFYIVLOSA-N 0 0 394.563 3.930 10 0 GHAERN O=C(NCC1CCC(c2ccccc2)CC1)N1CCCN(c2cccnn2)CC1 ZINC000120295220 841022187 /nfs/dbraw/zinc/02/21/87/841022187.db2.gz JYMMGYFDBCLKQD-UHFFFAOYSA-N 0 0 393.535 3.672 10 0 GHAERN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc4ncccc43)sc2c1 ZINC000105423769 841235136 /nfs/dbraw/zinc/23/51/36/841235136.db2.gz WCBAAHZTJLXHIP-UHFFFAOYSA-N 0 0 383.454 3.500 10 0 GHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120019468 841310921 /nfs/dbraw/zinc/31/09/21/841310921.db2.gz LZORMGOKWAUVIO-KSFYIVLOSA-N 0 0 382.508 3.657 10 0 GHAERN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000121048826 841898901 /nfs/dbraw/zinc/89/89/01/841898901.db2.gz ZHSBXMRDTWMUAK-CVDCTZTESA-N 0 0 396.535 3.832 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408185123 842004856 /nfs/dbraw/zinc/00/48/56/842004856.db2.gz BJFQJVZPKXJNAW-RWSFTLGLSA-N 0 0 383.300 3.960 10 0 GHAERN C[C@H]1CCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)[C@H](c2ccco2)C1 ZINC000247458612 842327398 /nfs/dbraw/zinc/32/73/98/842327398.db2.gz QESMXSPWEXIVTF-ULMVMLMRSA-N 0 0 379.522 3.778 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 ZINC000162686203 842415848 /nfs/dbraw/zinc/41/58/48/842415848.db2.gz KKPBJUASOXWPSM-UHFFFAOYSA-N 0 0 384.867 3.823 10 0 GHAERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588433739 842418690 /nfs/dbraw/zinc/41/86/90/842418690.db2.gz DYCFKTOVSZOHGY-AFNCTOJWSA-N 0 0 382.888 3.613 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)CC2)n1 ZINC000153259857 842489728 /nfs/dbraw/zinc/48/97/28/842489728.db2.gz YBWJNDBXQCSIFR-TXPKVOOTSA-N 0 0 397.523 3.659 10 0 GHAERN CCc1noc([C@H](C)N2CCN(C(=O)N[C@H]3CC[C@H](C)c4ccccc43)CC2)n1 ZINC000153260077 842490604 /nfs/dbraw/zinc/49/06/04/842490604.db2.gz YBWJNDBXQCSIFR-BXWFABGCSA-N 0 0 397.523 3.659 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000588434540 842508067 /nfs/dbraw/zinc/50/80/67/842508067.db2.gz NLYCZCBWKNTYQN-PLNGDYQASA-N 0 0 389.279 3.569 10 0 GHAERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)N1CC2(CCCC2)c2cccc(F)c21 ZINC000408366183 842894211 /nfs/dbraw/zinc/89/42/11/842894211.db2.gz NINRPRRHDMJBOI-IAGOWNOFSA-N 0 0 394.512 3.523 10 0 GHAERN Cc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1C ZINC000408366435 842900143 /nfs/dbraw/zinc/90/01/43/842900143.db2.gz OACSYLVNULXPDT-CEXWTWQISA-N 0 0 378.538 3.506 10 0 GHAERN COc1ccc(-c2ncc(C(=O)N3CCC(Cc4nccn4C)CC3)s2)cc1 ZINC000162452779 843255289 /nfs/dbraw/zinc/25/52/89/843255289.db2.gz ZLWSZEYUBRUPKY-UHFFFAOYSA-N 0 0 396.516 3.647 10 0 GHAERN CCOc1c(Cl)cc(C(=O)N2CCC(Cc3nccn3C)CC2)cc1OC ZINC000162592015 843280813 /nfs/dbraw/zinc/28/08/13/843280813.db2.gz JBBCCBJIOMUPSQ-UHFFFAOYSA-N 0 0 391.899 3.576 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000588452823 843313184 /nfs/dbraw/zinc/31/31/84/843313184.db2.gz MCHOIUQRKIIRON-HLRDLLSLSA-N 0 0 386.293 3.561 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000588452929 843317980 /nfs/dbraw/zinc/31/79/80/843317980.db2.gz KXWNTHLAGYEQMC-KSAKKHMLSA-N 0 0 385.467 3.769 10 0 GHAERN Cc1cccnc1/C=C\C(=O)NC(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000588453571 843325072 /nfs/dbraw/zinc/32/50/72/843325072.db2.gz KNVWSTAOIFEGLY-FPLPWBNLSA-N 0 0 379.382 3.791 10 0 GHAERN Cc1cccnc1/C=C\C(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000588454729 843338230 /nfs/dbraw/zinc/33/82/30/843338230.db2.gz AEFGXKGCKPMECN-SYGIOELKSA-N 0 0 378.476 3.606 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000112306594 843351514 /nfs/dbraw/zinc/35/15/14/843351514.db2.gz XQTDJVNRCYRPCU-ICSRJNTNSA-N 0 0 398.528 3.591 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000121466063 843374470 /nfs/dbraw/zinc/37/44/70/843374470.db2.gz DKNSTLQNPUEGCT-HNNXBMFYSA-N 0 0 385.892 3.664 10 0 GHAERN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000330297374 843565145 /nfs/dbraw/zinc/56/51/45/843565145.db2.gz GVNYGJZSSOITGZ-JXFKEZNVSA-N 0 0 384.501 3.810 10 0 GHAERN Cc1cccc2c1ncnc2N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000329493102 861537500 /nfs/dbraw/zinc/53/75/00/861537500.db2.gz ZXTMZVJWWJVYMY-KRWDZBQOSA-N 0 0 375.476 3.591 10 0 GHAERN CN1CC[C@H](CNC(=O)NCc2nnc(-c3ccccc3)s2)c2ccccc21 ZINC000151448334 845195235 /nfs/dbraw/zinc/19/52/35/845195235.db2.gz DUWAPXQGUGXVHV-MRXNPFEDSA-N 0 0 393.516 3.628 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2Br)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246587867 845432621 /nfs/dbraw/zinc/43/26/21/845432621.db2.gz CNKDUKSJDXXDKQ-IRWQIABSSA-N 0 0 393.325 3.773 10 0 GHAERN COc1ccc(-c2ncc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)s2)cc1 ZINC000151730259 845614400 /nfs/dbraw/zinc/61/44/00/845614400.db2.gz PRXFXTKOENMTJK-QGZVFWFLSA-N 0 0 384.457 3.934 10 0 GHAERN Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)N1CC[C@H](OCCC(C)C)C1)CC2 ZINC000151764022 845685571 /nfs/dbraw/zinc/68/55/71/845685571.db2.gz JJSYAJNJTKAQCZ-CABCVRRESA-N 0 0 399.457 3.572 10 0 GHAERN CC(=CC(C)(C)C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000588500936 846322331 /nfs/dbraw/zinc/32/23/31/846322331.db2.gz MPUVONCKMDMJMU-LUAWRHEFSA-N 0 0 377.286 3.843 10 0 GHAERN COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3c3nc(C)cs3)CC2=O)cc1 ZINC000329079795 847623297 /nfs/dbraw/zinc/62/32/97/847623297.db2.gz CEUDSNFUZGHOJH-YJBOKZPZSA-N 0 0 399.516 3.567 10 0 GHAERN Cc1nc([C@@H]2CCCN(C(=O)C[C@@H]3Oc4ccccc4NC3=O)C2)sc1C ZINC000329625557 861813990 /nfs/dbraw/zinc/81/39/90/861813990.db2.gz SVTOVWLUZSMTER-PBHICJAKSA-N 0 0 385.489 3.905 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000588528777 847677092 /nfs/dbraw/zinc/67/70/92/847677092.db2.gz RQUIGTWELQKPMO-PLNGDYQASA-N 0 0 396.900 3.602 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000329638906 861860451 /nfs/dbraw/zinc/86/04/51/861860451.db2.gz AYAXHJGDZNMZQV-CZUORRHYSA-N 0 0 398.488 3.806 10 0 GHAERN O=C(/C=C\c1ccnc(Cl)c1)NOCc1ccc(F)cc1Br ZINC000588540840 848080090 /nfs/dbraw/zinc/08/00/90/848080090.db2.gz ILPMEYBXBDCJBD-RJRFIUFISA-N 0 0 385.620 3.898 10 0 GHAERN COc1cc(/C=C/C(=O)N2CC[C@]3(CCOC3)C2)cc(Cl)c1OC(C)C ZINC000153572379 848676106 /nfs/dbraw/zinc/67/61/06/848676106.db2.gz UGWAMQJMYBAVPD-SGSXCFNPSA-N 0 0 379.884 3.788 10 0 GHAERN O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)N1CC[C@]2(CCOC2)C1 ZINC000154741601 849366736 /nfs/dbraw/zinc/36/67/36/849366736.db2.gz QJYKUZQHUMCDRR-KRWDZBQOSA-N 0 0 399.800 3.797 10 0 GHAERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000155502788 849534521 /nfs/dbraw/zinc/53/45/21/849534521.db2.gz AKPWVRSXMQHKBY-UHFFFAOYSA-N 0 0 395.532 3.744 10 0 GHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)NC2CCN(c3ncccn3)CC2)o1 ZINC000155996179 849726464 /nfs/dbraw/zinc/72/64/64/849726464.db2.gz DNCMYACFALKIIX-SFHVURJKSA-N 0 0 383.496 3.674 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)C1 ZINC000246696650 849867272 /nfs/dbraw/zinc/86/72/72/849867272.db2.gz FOUXVNDPHACOET-SFHLNBCPSA-N 0 0 382.508 3.712 10 0 GHAERN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000329691669 862092005 /nfs/dbraw/zinc/09/20/05/862092005.db2.gz ZTOYLIDFMDSJDO-DGCLKSJQSA-N 0 0 392.381 3.910 10 0 GHAERN CC(=O)Nc1ccc(Br)cc1NCC(=O)Nc1cccc(C)c1 ZINC000101542482 851657289 /nfs/dbraw/zinc/65/72/89/851657289.db2.gz QEKUUDDOVOMKRH-UHFFFAOYSA-N 0 0 376.254 3.767 10 0 GHAERN CC(=O)Nc1ccc(Br)cc1NCC(=O)Nc1ccccc1F ZINC000101542478 851657364 /nfs/dbraw/zinc/65/73/64/851657364.db2.gz AHOBIZPIEPQDJO-UHFFFAOYSA-N 0 0 380.217 3.597 10 0 GHAERN O=C(CSCc1coc(-c2ccc(F)cc2)n1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000101584989 851693326 /nfs/dbraw/zinc/69/33/26/851693326.db2.gz HWAROGSLGYUMIK-QZTJIDSGSA-N 0 0 390.480 3.884 10 0 GHAERN C[C@H](SCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1nc(-c2cccs2)no1 ZINC000101585082 851693438 /nfs/dbraw/zinc/69/34/38/851693438.db2.gz KQORLUONBGHYQV-MELADBBJSA-N 0 0 393.534 3.762 10 0 GHAERN COC(=O)c1cccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000101604386 851723984 /nfs/dbraw/zinc/72/39/84/851723984.db2.gz PCNWNGUVRWNLQT-UHFFFAOYSA-N 0 0 383.379 3.632 10 0 GHAERN O=C(Nc1ccccn1)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F ZINC000101853655 851938255 /nfs/dbraw/zinc/93/82/55/851938255.db2.gz OVCGHOGRGJVFGC-BVGQSLNGSA-N 0 0 385.414 3.772 10 0 GHAERN O=S(=O)(c1cccc(NC2CCC3(CCCC3)CC2)c1)N1CCC(O)CC1 ZINC000329781814 862318321 /nfs/dbraw/zinc/31/83/21/862318321.db2.gz NMXIECRRWJDMSK-UHFFFAOYSA-N 0 0 392.565 3.747 10 0 GHAERN CCOc1ccccc1CCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1C ZINC000102161371 852242519 /nfs/dbraw/zinc/24/25/19/852242519.db2.gz BKZPHVWKURKAJW-IBGZPJMESA-N 0 0 398.528 3.867 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853818 862375275 /nfs/dbraw/zinc/37/52/75/862375275.db2.gz SHBPTZPOSZXWOF-PBHICJAKSA-N 0 0 388.899 3.831 10 0 GHAERN Cc1nc(C[C@H]2CCCN(C(=O)NCC(C)(C)c3ccccc3Cl)C2)no1 ZINC000171370915 852625499 /nfs/dbraw/zinc/62/54/99/852625499.db2.gz SVOBQBGQYMXFRB-OAHLLOKOSA-N 0 0 390.915 3.973 10 0 GHAERN O=C(Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1)N1CCc2ccccc21 ZINC000329939495 862440584 /nfs/dbraw/zinc/44/05/84/862440584.db2.gz TXBAAXILUMMODO-GHTZIAJQSA-N 0 0 375.472 3.835 10 0 GHAERN CC(C)[C@@H]1N(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC12CCCCC2 ZINC000333963642 853279733 /nfs/dbraw/zinc/27/97/33/853279733.db2.gz ODCHXUOPGKWRBZ-MJGOQNOKSA-N 0 0 390.549 3.905 10 0 GHAERN O=C(N[C@@H]1CCO[C@H](c2cccs2)C1)N1CCSC[C@@H]1c1nccs1 ZINC000334063190 853844656 /nfs/dbraw/zinc/84/46/56/853844656.db2.gz BXYHEVVGLVSTGR-MCIONIFRSA-N 0 0 395.575 3.924 10 0 GHAERN CC(C)(C(=O)NCCC(=O)NC1CCCCC1)c1cccc(Br)c1 ZINC000102239181 854235569 /nfs/dbraw/zinc/23/55/69/854235569.db2.gz BJHLERJDIUNQBS-UHFFFAOYSA-N 0 0 395.341 3.682 10 0 GHAERN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)sc1-c1ccc(F)cc1 ZINC000102247242 854250090 /nfs/dbraw/zinc/25/00/90/854250090.db2.gz SVTFPKDGSWLSFL-KRWDZBQOSA-N 0 0 380.444 3.919 10 0 GHAERN CCN(C(=O)CCc1nc(C(C)(C)C)no1)c1ccc(Br)cn1 ZINC000102255244 854256729 /nfs/dbraw/zinc/25/67/29/854256729.db2.gz XUIQCOOHZXTXLC-UHFFFAOYSA-N 0 0 381.274 3.510 10 0 GHAERN Cc1noc(C)c1[C@H](C)CC(=O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000328717900 854521093 /nfs/dbraw/zinc/52/10/93/854521093.db2.gz POSHLCLRVCAETM-NYFKNOIKSA-N 0 0 398.507 3.701 10 0 GHAERN CN1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968176 854636516 /nfs/dbraw/zinc/63/65/16/854636516.db2.gz UBXGSIOKBKKNCT-UXHICEINSA-N 0 0 385.439 3.555 10 0 GHAERN CN1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968178 854636770 /nfs/dbraw/zinc/63/67/70/854636770.db2.gz UBXGSIOKBKKNCT-WOJBJXKFSA-N 0 0 385.439 3.555 10 0 GHAERN CCC1(CC)CCCN(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC000188530027 854844435 /nfs/dbraw/zinc/84/44/35/854844435.db2.gz BWUKHESCMRODQT-QGZVFWFLSA-N 0 0 378.538 3.907 10 0 GHAERN CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000330198160 862655360 /nfs/dbraw/zinc/65/53/60/862655360.db2.gz SWIADEXFDPEXGA-MAUKXSAKSA-N 0 0 392.521 3.547 10 0 GHAERN C[C@H]1C[C@H](c2nc(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)no2)CCC1=O ZINC000330204888 862660258 /nfs/dbraw/zinc/66/02/58/862660258.db2.gz CZLLZKPBFYCHJC-WDEREUQCSA-N 0 0 398.488 3.722 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 ZINC000190073235 855414177 /nfs/dbraw/zinc/41/41/77/855414177.db2.gz KJWZSCYCQSMCNU-ZWKOTPCHSA-N 0 0 387.455 3.708 10 0 GHAERN C[C@@H](NC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000191341115 855623697 /nfs/dbraw/zinc/62/36/97/855623697.db2.gz RDKMECMCOVCBEY-MJBXVCDLSA-N 0 0 385.430 3.855 10 0 GHAERN O=C(NC1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)c1ccccc1 ZINC000030974543 856134082 /nfs/dbraw/zinc/13/40/82/856134082.db2.gz GNLNSBXDHBYLFU-UHFFFAOYSA-N 0 0 397.525 3.906 10 0 GHAERN O=C(c1cnc2ccccn2c1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000042615120 856387350 /nfs/dbraw/zinc/38/73/50/856387350.db2.gz INBNBCRAUFRFBU-INIZCTEOSA-N 0 0 390.468 3.672 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)Cc3cc(Cl)ccc3OC)C2)c1 ZINC000102382885 856399216 /nfs/dbraw/zinc/39/92/16/856399216.db2.gz VPRCPOQQSNURBR-OAHLLOKOSA-N 0 0 388.895 3.542 10 0 GHAERN O=C(NC[C@@H](O)Cc1ccccc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000104909478 856446379 /nfs/dbraw/zinc/44/63/79/856446379.db2.gz HBAMSSHQKYRJNK-HNNXBMFYSA-N 0 0 378.453 3.890 10 0 GHAERN O=C(CC1CCCCC1)NCCNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105219712 856567748 /nfs/dbraw/zinc/56/77/48/856567748.db2.gz HWPJKVPEAHRNLW-UHFFFAOYSA-N 0 0 375.513 3.820 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000046592627 856875523 /nfs/dbraw/zinc/87/55/23/856875523.db2.gz LIGRDQHAKVAOQA-FMIVXFBMSA-N 0 0 396.462 3.659 10 0 GHAERN CCc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000061546842 857528703 /nfs/dbraw/zinc/52/87/03/857528703.db2.gz CZYGNGVCTXZHDX-UHFFFAOYSA-N 0 0 398.547 3.853 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000131845752 857837575 /nfs/dbraw/zinc/83/75/75/857837575.db2.gz PGEAKTMHZNNBAJ-RBUKOAKNSA-N 0 0 398.503 3.809 10 0 GHAERN O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000131845404 857837622 /nfs/dbraw/zinc/83/76/22/857837622.db2.gz PGEAKTMHZNNBAJ-RTBURBONSA-N 0 0 398.503 3.809 10 0 GHAERN Cc1cc(Cl)ccc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000132257079 858717798 /nfs/dbraw/zinc/71/77/98/858717798.db2.gz YXXUUJHSXMWUQY-UHFFFAOYSA-N 0 0 377.916 3.885 10 0 GHAERN C[C@H]1CC[C@@H](NC(=O)N2CCS(=O)(=O)c3ccccc3C2)c2ccccc21 ZINC000185716509 859120665 /nfs/dbraw/zinc/12/06/65/859120665.db2.gz LVQDGFRPNFKFQU-HNAYVOBHSA-N 0 0 384.501 3.624 10 0 GHAERN CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000172879051 859490368 /nfs/dbraw/zinc/49/03/68/859490368.db2.gz DWGLZFLSFHSVGB-HNNXBMFYSA-N 0 0 392.931 3.570 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCC[C@H]1c1ccccc1Cl)CC2 ZINC000161545331 859687971 /nfs/dbraw/zinc/68/79/71/859687971.db2.gz GAHAELLHRNBJRR-YOEHRIQHSA-N 0 0 387.915 3.916 10 0 GHAERN Cc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1C ZINC000161577498 859726966 /nfs/dbraw/zinc/72/69/66/859726966.db2.gz JXMISMUAWXMPAD-RTBURBONSA-N 0 0 381.524 3.880 10 0 GHAERN O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000156120704 859992077 /nfs/dbraw/zinc/99/20/77/859992077.db2.gz RVRQQGWMBMQQIT-IUODEOHRSA-N 0 0 397.846 3.675 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000170895433 860422119 /nfs/dbraw/zinc/42/21/19/860422119.db2.gz CQYIWBJUUQOSFQ-RDJZCZTQSA-N 0 0 386.496 3.957 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)NCCc3c(Cl)cccc3Cl)C2)no1 ZINC000171352466 860424935 /nfs/dbraw/zinc/42/49/35/860424935.db2.gz KTUYHFUEONWAIG-ZDUSSCGKSA-N 0 0 397.306 3.892 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Cc1coc3cc4c(cc13)CCC4)C2 ZINC000172003241 860430251 /nfs/dbraw/zinc/43/02/51/860430251.db2.gz XYKYDIJUMDGOJV-UHFFFAOYSA-N 0 0 377.488 3.906 10 0 GHAERN CC(C)(C)c1csc(CNC(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 ZINC000172377065 860432925 /nfs/dbraw/zinc/43/29/25/860432925.db2.gz GBMHXDKVGHVJQM-UHFFFAOYSA-N 0 0 399.520 3.614 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172435781 860433415 /nfs/dbraw/zinc/43/34/15/860433415.db2.gz QAVYADXZDFOLGS-YLJYHZDGSA-N 0 0 381.524 3.971 10 0 GHAERN Cc1nnc([C@H]2CN(C(=O)c3ccc(-c4ccc(C)c(C)c4)cc3F)CCO2)[nH]1 ZINC000173086753 860436881 /nfs/dbraw/zinc/43/68/81/860436881.db2.gz XGZQFVHYTLZDOV-HXUWFJFHSA-N 0 0 394.450 3.750 10 0 GHAERN Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000173779014 860442985 /nfs/dbraw/zinc/44/29/85/860442985.db2.gz OWLKPODMLYKLRB-SFHVURJKSA-N 0 0 381.476 3.726 10 0 GHAERN CCC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000173949864 860444013 /nfs/dbraw/zinc/44/40/13/860444013.db2.gz ULASUHQFSRGQQX-HZPDHXFCSA-N 0 0 377.554 3.621 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)C[C@@H]3Sc4ccccc4NC3=O)C2)n1 ZINC000173069489 860648983 /nfs/dbraw/zinc/64/89/83/860648983.db2.gz INCLPFNUJFPXOB-BBRMVZONSA-N 0 0 387.530 3.661 10 0 GHAERN N=c1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)C2)cc[nH]1 ZINC000329045988 860973996 /nfs/dbraw/zinc/97/39/96/860973996.db2.gz FTKGDIWCEMVVSS-MRVWCRGKSA-N 0 0 391.302 3.706 10 0 GHAERN CN(C(=O)N[C@H]1c2ccccc2CCC1(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000153034486 863128130 /nfs/dbraw/zinc/12/81/30/863128130.db2.gz MANCJNJBMDATSG-NQIIRXRSSA-N 0 0 393.535 3.801 10 0 GHAERN Cc1nsc(N2CCCN(C(=O)N[C@H](C)[C@H](C)C3CCCCC3)CC2)n1 ZINC000248345183 863326944 /nfs/dbraw/zinc/32/69/44/863326944.db2.gz MMKNLJJYMXAVMR-LSDHHAIUSA-N 0 0 379.574 3.673 10 0 GHAERN Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(-n4ccnc4)c(F)c3)c21 ZINC000103180951 863903586 /nfs/dbraw/zinc/90/35/86/863903586.db2.gz HGVSZMVRAULYAQ-UHFFFAOYSA-N 0 0 391.450 3.843 10 0 GHAERN CCOc1ccc(C(=O)N2CCC(NC(=O)Nc3ccc(F)c(C)c3)CC2)cc1 ZINC000103242532 863922338 /nfs/dbraw/zinc/92/23/38/863922338.db2.gz COFXFMOGNNEQLG-UHFFFAOYSA-N 0 0 399.466 3.959 10 0 GHAERN Cc1nc(COc2ccccc2C(=O)NCCc2c[nH]c3cccc(C)c23)no1 ZINC000103128970 863926253 /nfs/dbraw/zinc/92/62/53/863926253.db2.gz PUMSTQOZPHXIQZ-UHFFFAOYSA-N 0 0 390.443 3.719 10 0 GHAERN O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(-n2cnnn2)cc1Cl ZINC000103781962 864091380 /nfs/dbraw/zinc/09/13/80/864091380.db2.gz LCNAERXKRXKZOW-UHFFFAOYSA-N 0 0 392.806 3.755 10 0 GHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000103864260 864101534 /nfs/dbraw/zinc/10/15/34/864101534.db2.gz PDQJXVURVUQAJW-QGZVFWFLSA-N 0 0 395.503 3.767 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000103863318 864101734 /nfs/dbraw/zinc/10/17/34/864101734.db2.gz QJBMISSFRKZIRK-IBGZPJMESA-N 0 0 387.867 3.664 10 0 GHAERN c1ncn(C[C@H]2CCCN(c3nc(C4CC4)nc4sc5c(c43)CCCC5)C2)n1 ZINC000108846840 866554920 /nfs/dbraw/zinc/55/49/20/866554920.db2.gz DNYISPOBHJSXEO-AWEZNQCLSA-N 0 0 394.548 3.956 10 0 GHAERN Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4sc5c(c43)CCCC5)C2)n1 ZINC000110581344 866646331 /nfs/dbraw/zinc/64/63/31/866646331.db2.gz KDDDFWSPCBEWMU-HNNXBMFYSA-N 0 0 382.537 3.695 10 0 GHAERN Cc1cnn([C@H]2CCCN(S(=O)(=O)c3cc(Cl)sc3Cl)C2)c1 ZINC000111361543 866677184 /nfs/dbraw/zinc/67/71/84/866677184.db2.gz MIGCQYYPIURPRY-JTQLQIEISA-N 0 0 380.322 3.586 10 0 GHAERN Cc1c(C(=O)N2CCc3c(nc(C(C)C)n3C)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000112670026 866735002 /nfs/dbraw/zinc/73/50/02/866735002.db2.gz FAEVGZZPCGTDRJ-UHFFFAOYSA-N 0 0 382.508 3.534 10 0 GHAERN O=S(=O)(c1cc(C(F)(F)F)ccc1F)N1CCC[C@H](c2nccs2)C1 ZINC000114741263 866770332 /nfs/dbraw/zinc/77/03/32/866770332.db2.gz MQVAEBVRJQHFSM-JTQLQIEISA-N 0 0 394.415 3.869 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@@H](c4cnn(C)c4)C3)cc2)c(C)c1Cl ZINC000116114490 866790107 /nfs/dbraw/zinc/79/01/07/866790107.db2.gz FAHNAJTVBBGMLX-MRXNPFEDSA-N 0 0 383.883 3.506 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000170672802 882046600 /nfs/dbraw/zinc/04/66/00/882046600.db2.gz AAZZWUQYWGOTKQ-DOJUMQAQSA-N 0 0 375.476 3.632 10 0 GHAERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c2ccccc2O1 ZINC000151404693 867436529 /nfs/dbraw/zinc/43/65/29/867436529.db2.gz LUOFYNOSHUEAAZ-PTSWNOGYSA-N 0 0 376.522 3.643 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000245521014 867436833 /nfs/dbraw/zinc/43/68/33/867436833.db2.gz KFTOCYSLWRGZSC-XNHCUKIZSA-N 0 0 392.425 3.761 10 0 GHAERN CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000171283532 882092985 /nfs/dbraw/zinc/09/29/85/882092985.db2.gz KNSAXLPGJMIDCD-OAQYLSRUSA-N 0 0 385.552 3.832 10 0 GHAERN CCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2C1=O ZINC000171647174 882121459 /nfs/dbraw/zinc/12/14/59/882121459.db2.gz GPUCWKCKNCHOMO-OAHLLOKOSA-N 0 0 397.500 3.559 10 0 GHAERN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(Cc2ccccn2)CC1 ZINC000171613376 882145510 /nfs/dbraw/zinc/14/55/10/882145510.db2.gz UUFXQZDJFMSMEA-QFIPXVFZSA-N 0 0 380.488 3.734 10 0 GHAERN O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171899966 882148617 /nfs/dbraw/zinc/14/86/17/882148617.db2.gz NGLFQCDZHMOJAN-UHFFFAOYSA-N 0 0 393.535 3.631 10 0 GHAERN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)C(C)C ZINC000172157220 882174307 /nfs/dbraw/zinc/17/43/07/882174307.db2.gz YZPBFRHVXLYBNE-HKUYNNGSSA-N 0 0 392.507 3.719 10 0 GHAERN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000181241284 868508317 /nfs/dbraw/zinc/50/83/17/868508317.db2.gz APKAEBFMTJADJA-WIBUTAKZSA-N 0 0 378.900 3.890 10 0 GHAERN C[C@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cc2ccccc2o1 ZINC000172698904 882285303 /nfs/dbraw/zinc/28/53/03/882285303.db2.gz IXHLQASFMJBNOJ-HNNXBMFYSA-N 0 0 377.444 3.557 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CCCC1)N1CCC(c2ccnn2CCO)CC1 ZINC000172555940 882295222 /nfs/dbraw/zinc/29/52/22/882295222.db2.gz IYKLDBGOOSWQLE-JOCHJYFZSA-N 0 0 396.535 3.696 10 0 GHAERN Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000172610746 882299547 /nfs/dbraw/zinc/29/95/47/882299547.db2.gz BVGHDCVQMBAWLX-HOCLYGCPSA-N 0 0 383.521 3.619 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000121837722 882305033 /nfs/dbraw/zinc/30/50/33/882305033.db2.gz YDJSCYFARHPJDC-SQNIBIBYSA-N 0 0 379.456 3.980 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CCCC1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000172831217 882311953 /nfs/dbraw/zinc/31/19/53/882311953.db2.gz ZIKCCIGABIYWAN-JOCHJYFZSA-N 0 0 391.515 3.982 10 0 GHAERN CCO[C@@H](C)c1noc(C[S@@](=O)Cc2ncc(-c3ccccc3Cl)o2)n1 ZINC000172841296 882313406 /nfs/dbraw/zinc/31/34/06/882313406.db2.gz RQRKJFLYZPNXAQ-LJZMDLFKSA-N 0 0 395.868 3.924 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2cccc(NC(C)=O)c2C)cc1 ZINC000172867093 882315672 /nfs/dbraw/zinc/31/56/72/882315672.db2.gz STLQIOAWEUHYCF-OAQYLSRUSA-N 0 0 381.476 3.738 10 0 GHAERN Cc1ccccc1[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)C(C)C ZINC000173023098 882332641 /nfs/dbraw/zinc/33/26/41/882332641.db2.gz JQBVYZQQIOLDLZ-NRFANRHFSA-N 0 0 379.504 3.756 10 0 GHAERN CC(C)(C)C(=O)c1ccsc1NC(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173053116 882334192 /nfs/dbraw/zinc/33/41/92/882334192.db2.gz BLMPJNXEQHKXPB-UHFFFAOYSA-N 0 0 399.516 3.863 10 0 GHAERN O=C(Nc1cccc(CC(F)(F)F)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000173124743 882351044 /nfs/dbraw/zinc/35/10/44/882351044.db2.gz PQILLERUBSIFLY-UHFFFAOYSA-N 0 0 391.393 3.677 10 0 GHAERN C[C@H](CCc1cccc(F)c1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000173364520 882355648 /nfs/dbraw/zinc/35/56/48/882355648.db2.gz BEUCHINGOXEODQ-MRXNPFEDSA-N 0 0 388.508 3.831 10 0 GHAERN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC(n2cncn2)CC1 ZINC000173353132 882356227 /nfs/dbraw/zinc/35/62/27/882356227.db2.gz LRDAXJMKXJBIBN-UHFFFAOYSA-N 0 0 386.377 3.840 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N(Cc3ccco3)Cc3ccco3)CC2)nc1 ZINC000173372876 882357718 /nfs/dbraw/zinc/35/77/18/882357718.db2.gz AJUVQEZOPKZQCO-UHFFFAOYSA-N 0 0 394.475 3.957 10 0 GHAERN CCC[C@H](NC(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1)c1ccccc1 ZINC000173445906 882361277 /nfs/dbraw/zinc/36/12/77/882361277.db2.gz NAPWVPSLJBCQCG-IBGZPJMESA-N 0 0 397.523 3.706 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000173549108 882379017 /nfs/dbraw/zinc/37/90/17/882379017.db2.gz JRFBVKXKVBGSBN-HXUWFJFHSA-N 0 0 392.459 3.962 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)CSCc2nc(C(C)(C)C)no2)cc1 ZINC000173782869 882402917 /nfs/dbraw/zinc/40/29/17/882402917.db2.gz WLPIBKBTMIBYKW-MRXNPFEDSA-N 0 0 389.521 3.973 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(N4CCNC4=O)c3C)C2)cc1 ZINC000173848513 882409917 /nfs/dbraw/zinc/40/99/17/882409917.db2.gz PZPDNEBIQGBCHO-YJBOKZPZSA-N 0 0 393.487 3.551 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N1CCC(Nc2ccccc2F)CC1 ZINC000174068299 882421010 /nfs/dbraw/zinc/42/10/10/882421010.db2.gz JRMLLXPCGSMWKF-IBGZPJMESA-N 0 0 399.491 3.732 10 0 GHAERN COc1ccc(OC)c(CCC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174077247 882422682 /nfs/dbraw/zinc/42/26/82/882422682.db2.gz KKLYLDOSCMFYRD-UHFFFAOYSA-N 0 0 386.467 3.879 10 0 GHAERN O=C(N[C@@H](c1cccs1)c1ccc(Cl)cc1)N1CCC2(C1)OCCO2 ZINC000174093566 882425362 /nfs/dbraw/zinc/42/53/62/882425362.db2.gz SPLAMSBTPPNKLO-MRXNPFEDSA-N 0 0 378.881 3.649 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c3c2CCC3)c(F)c1 ZINC000107248164 870623548 /nfs/dbraw/zinc/62/35/48/870623548.db2.gz LLTXCXAPBJZTTQ-GOSISDBHSA-N 0 0 393.466 3.519 10 0 GHAERN COC(=O)Nc1cc(NC(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000114814091 870645524 /nfs/dbraw/zinc/64/55/24/870645524.db2.gz LHEJJNGDVVTZJY-LLVKDONJSA-N 0 0 378.429 3.872 10 0 GHAERN COc1ccc(COCCCNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114828682 870771476 /nfs/dbraw/zinc/77/14/76/870771476.db2.gz QSPCMUVQUPUDNP-KRWDZBQOSA-N 0 0 389.521 3.648 10 0 GHAERN O=C(CCc1nc(-c2ccsc2)no1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174964743 882510661 /nfs/dbraw/zinc/51/06/61/882510661.db2.gz OMDJDXNQBFZNRH-UHFFFAOYSA-N 0 0 399.476 3.577 10 0 GHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC000175056500 882520178 /nfs/dbraw/zinc/52/01/78/882520178.db2.gz BRBBHFVWDGKFRK-QAPCUYQASA-N 0 0 388.508 3.657 10 0 GHAERN O=C(c1cccs1)N1CCC(C(=O)N(CCC(F)(F)F)CC2CC2)CC1 ZINC000175357332 882546043 /nfs/dbraw/zinc/54/60/43/882546043.db2.gz RQANXINCLUTQPU-UHFFFAOYSA-N 0 0 388.455 3.791 10 0 GHAERN Cc1cccc2[nH]cc(CC(=O)NCc3ccc(N4CCCCC4=O)cc3)c21 ZINC000103385019 871858992 /nfs/dbraw/zinc/85/89/92/871858992.db2.gz JBEJVMQAGQXWIM-UHFFFAOYSA-N 0 0 375.472 3.852 10 0 GHAERN Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c2cnn(C)c2n1 ZINC000175169388 882555071 /nfs/dbraw/zinc/55/50/71/882555071.db2.gz MXCOFSPRPLRNAV-INIZCTEOSA-N 0 0 377.473 3.864 10 0 GHAERN Cc1cc(NC(=O)/C=C/c2cc(Br)ccc2F)ccc1C(N)=O ZINC000103410039 871908589 /nfs/dbraw/zinc/90/85/89/871908589.db2.gz NQHXCVGYYZDRDP-FARCUNLSSA-N 0 0 377.213 3.647 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CC[C@H](CSc2ccccc2)C1 ZINC000175237622 882560881 /nfs/dbraw/zinc/56/08/81/882560881.db2.gz KLJIDWHFIFUHJP-ICSRJNTNSA-N 0 0 384.545 3.976 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)c1[nH]c2ccccc2c1Br ZINC000103444105 871998713 /nfs/dbraw/zinc/99/87/13/871998713.db2.gz VNEZJDOUDDIDSY-UHFFFAOYSA-N 0 0 396.285 3.575 10 0 GHAERN COc1c(C)cc(CN(C)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1C ZINC000101539149 872076083 /nfs/dbraw/zinc/07/60/83/872076083.db2.gz TYIVYGLWWNGVPS-UHFFFAOYSA-N 0 0 381.451 3.764 10 0 GHAERN O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000175481520 882584795 /nfs/dbraw/zinc/58/47/95/882584795.db2.gz AFAMCCXPBPRQRI-IPLHWJFFSA-N 0 0 383.410 3.905 10 0 GHAERN COc1ccc(CN(C(=O)[C@@H]2Cc3ccccc3O2)c2nccs2)c(OC)c1 ZINC000175554952 882596092 /nfs/dbraw/zinc/59/60/92/882596092.db2.gz IJPGWUCDGZNZAW-IBGZPJMESA-N 0 0 396.468 3.697 10 0 GHAERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000163845321 872301242 /nfs/dbraw/zinc/30/12/42/872301242.db2.gz WTGIZOXGXZSQNN-LYHRCORUSA-N 0 0 399.535 3.860 10 0 GHAERN CN(C)C(=O)Nc1cccc(CNC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000175572042 882599289 /nfs/dbraw/zinc/59/92/89/882599289.db2.gz YQJLZPFFIUPXQX-LJQANCHMSA-N 0 0 383.496 3.555 10 0 GHAERN Cc1cc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c2cnn(C)c2n1 ZINC000175628687 882607137 /nfs/dbraw/zinc/60/71/37/882607137.db2.gz CUCGPVOEDBDHMC-SCLBCKFNSA-N 0 0 384.867 3.532 10 0 GHAERN C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000175738066 882619768 /nfs/dbraw/zinc/61/97/68/882619768.db2.gz HSGOEYZCSMVWJC-NEVLMKBDSA-N 0 0 376.453 3.557 10 0 GHAERN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H](c3nccs3)C2)cc1F ZINC000175976150 882652413 /nfs/dbraw/zinc/65/24/13/882652413.db2.gz ALHAGJFBIKXWOF-CQSZACIVSA-N 0 0 376.453 3.660 10 0 GHAERN CCOc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1OC ZINC000176495324 882699178 /nfs/dbraw/zinc/69/91/78/882699178.db2.gz XGUMYSIRGRZNKF-UHFFFAOYSA-N 0 0 375.494 3.946 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)Nc3ccc(N(C)C)c(C)c3)C2)c1 ZINC000102528706 873254603 /nfs/dbraw/zinc/25/46/03/873254603.db2.gz WALQTIFJIBQVII-KRWDZBQOSA-N 0 0 382.508 3.718 10 0 GHAERN CC(C)c1nccn1CCC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000176615043 882719081 /nfs/dbraw/zinc/71/90/81/882719081.db2.gz SCLXSJGYBYHMDK-GOSISDBHSA-N 0 0 394.519 3.540 10 0 GHAERN CCc1noc(-c2ccc(C)c(NC(=O)/C=C/c3ccc(C(=O)NC)cc3)c2)n1 ZINC000176756887 882731214 /nfs/dbraw/zinc/73/12/14/882731214.db2.gz VYKLQMHYXRCNOA-XYOKQWHBSA-N 0 0 390.443 3.619 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)N[C@@H](c3ncccc3C)C(C)C)CC2)nc1 ZINC000176811451 882739874 /nfs/dbraw/zinc/73/98/74/882739874.db2.gz VSOFQRLDSNIXOJ-HXUWFJFHSA-N 0 0 381.524 3.759 10 0 GHAERN COc1cccc(F)c1[C@H](C)NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000176855892 882744408 /nfs/dbraw/zinc/74/44/08/882744408.db2.gz RGIUGDBZDLCLFN-HNNXBMFYSA-N 0 0 386.471 3.567 10 0 GHAERN C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)CCO1 ZINC000177117550 882762791 /nfs/dbraw/zinc/76/27/91/882762791.db2.gz SKDPZTDLAYHRLP-AWEZNQCLSA-N 0 0 388.895 3.524 10 0 GHAERN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000104421301 874380909 /nfs/dbraw/zinc/38/09/09/874380909.db2.gz RYSYCXVNWSESJQ-NKSQBSFPSA-N 0 0 384.501 3.729 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N[C@@H](C)c3nc(-c4cccc(F)c4)no3)nc21 ZINC000177654656 882839353 /nfs/dbraw/zinc/83/93/53/882839353.db2.gz ZHRWFIDMGZMKCR-ZDUSSCGKSA-N 0 0 393.422 3.870 10 0 GHAERN O=C(Nc1cccc(OCCF)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000178023587 882857201 /nfs/dbraw/zinc/85/72/01/882857201.db2.gz BCZSDPUJKWGZEE-UHFFFAOYSA-N 0 0 391.487 3.681 10 0 GHAERN Cc1cc(Br)cc(C)c1NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000105003230 874971534 /nfs/dbraw/zinc/97/15/34/874971534.db2.gz FIQWPIXYZFOQII-INIZCTEOSA-N 0 0 377.282 3.791 10 0 GHAERN Cc1ccc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)cc1NC(=O)c1ccccc1 ZINC000178301687 882883912 /nfs/dbraw/zinc/88/39/12/882883912.db2.gz TVPBHBARCHREFJ-FCHUYYIVSA-N 0 0 386.451 3.635 10 0 GHAERN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1Cc2ccccc2[C@H]1O ZINC000178313805 882903167 /nfs/dbraw/zinc/90/31/67/882903167.db2.gz LGCLYZFROUVEBN-AZUAARDMSA-N 0 0 395.890 3.590 10 0 GHAERN O=C(NC1CCC2(CC1)OCCO2)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000105369212 875277689 /nfs/dbraw/zinc/27/76/89/875277689.db2.gz KTKRUDJXKMKFMX-JOCHJYFZSA-N 0 0 392.499 3.592 10 0 GHAERN COc1ccc(-c2cnc(C[S@@](=O)Cc3cccc4c3OCCO4)o2)cc1 ZINC000105706966 875369511 /nfs/dbraw/zinc/36/95/11/875369511.db2.gz APZFESAEIVEZLC-HHHXNRCGSA-N 0 0 385.441 3.570 10 0 GHAERN Cc1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cnn1-c1ccccc1F ZINC000120118075 875587488 /nfs/dbraw/zinc/58/74/88/875587488.db2.gz QBRLNKUBZFKVSQ-GOSISDBHSA-N 0 0 396.447 3.761 10 0 GHAERN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C ZINC000179026872 882947371 /nfs/dbraw/zinc/94/73/71/882947371.db2.gz YOJYBBWTMWNNRG-UHFFFAOYSA-N 0 0 382.435 3.828 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)ccc1F ZINC000179069280 882950886 /nfs/dbraw/zinc/95/08/86/882950886.db2.gz VDOFVWGYRYCOAR-CSKARUKUSA-N 0 0 382.435 3.725 10 0 GHAERN CCCC(=O)Nc1ccc(CNC(=O)N2CCO[C@H](c3ccc(C)o3)C2)cc1 ZINC000179110933 882971596 /nfs/dbraw/zinc/97/15/96/882971596.db2.gz BCRDZNHANCXNKU-IBGZPJMESA-N 0 0 385.464 3.610 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)NCCCCOCCc3ccccc3)CCO2)o1 ZINC000179120437 882971625 /nfs/dbraw/zinc/97/16/25/882971625.db2.gz GAMXOKLNZSSZPU-OAQYLSRUSA-N 0 0 386.492 3.710 10 0 GHAERN O=C(c1cc2ccccc2c(Cl)n1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000179301866 882987979 /nfs/dbraw/zinc/98/79/79/882987979.db2.gz DSGCGIUCQGBRPX-RDTXWAMCSA-N 0 0 383.879 3.504 10 0 GHAERN O=C(Nc1c[nH]nc1-c1ccccc1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000179491020 883003227 /nfs/dbraw/zinc/00/32/27/883003227.db2.gz NLRWJVBBUSHLFL-SFHVURJKSA-N 0 0 384.480 3.659 10 0 GHAERN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000179560942 883009505 /nfs/dbraw/zinc/00/95/05/883009505.db2.gz TXBQPEIAOXDDNS-AWEZNQCLSA-N 0 0 375.831 3.747 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)CCO2)o1 ZINC000120882315 876325901 /nfs/dbraw/zinc/32/59/01/876325901.db2.gz OJKFIGBMPLGGPG-JXFKEZNVSA-N 0 0 380.448 3.618 10 0 GHAERN CC[C@H](OC1CCCCC1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000120961802 876381173 /nfs/dbraw/zinc/38/11/73/876381173.db2.gz QEGMVOYFOUTHPM-KRWDZBQOSA-N 0 0 378.538 3.551 10 0 GHAERN Cn1cnnc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(SC(F)(F)F)cc1 ZINC000120977527 876382284 /nfs/dbraw/zinc/38/22/84/876382284.db2.gz FQLVSDFSIHUDBO-MRZGDXHCSA-N 0 0 382.411 3.804 10 0 GHAERN COc1cc([C@H](C)Nc2ccc3c(c2)CCCC(=O)N3)ccc1S(C)(=O)=O ZINC000179811032 883030064 /nfs/dbraw/zinc/03/00/64/883030064.db2.gz NAHCHAQBOWVXEX-ZDUSSCGKSA-N 0 0 388.489 3.547 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000179839146 883031210 /nfs/dbraw/zinc/03/12/10/883031210.db2.gz OFCRQKSAGIFAIA-AWEZNQCLSA-N 0 0 388.399 3.942 10 0 GHAERN Cc1ccc([C@@](O)(CC(=O)N2CCC[C@@H](c3nccs3)C2)C(F)(F)F)o1 ZINC000180025488 883045750 /nfs/dbraw/zinc/04/57/50/883045750.db2.gz PRAOLOUINFCSHW-WBMJQRKESA-N 0 0 388.411 3.591 10 0 GHAERN C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C(F)(F)F)cc3Cl)CC2)CCO1 ZINC000180044110 883047488 /nfs/dbraw/zinc/04/74/88/883047488.db2.gz SWHLUDPHGXPDSJ-GFCCVEGCSA-N 0 0 390.833 3.684 10 0 GHAERN Cc1cc(NC(=O)N2CCC[C@H]2Cn2ccnc2)ccc1NC(=O)c1ccco1 ZINC000180448865 883059626 /nfs/dbraw/zinc/05/96/26/883059626.db2.gz DZMXPUNCWZAQHQ-KRWDZBQOSA-N 0 0 393.447 3.733 10 0 GHAERN Cc1nnc([C@H](NC(=O)Nc2cc(F)ccc2OC(F)F)c2ccccc2)[nH]1 ZINC000121358183 876953335 /nfs/dbraw/zinc/95/33/35/876953335.db2.gz ATXLPBQGEQZULX-OAHLLOKOSA-N 0 0 391.353 3.765 10 0 GHAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000023158978 877051298 /nfs/dbraw/zinc/05/12/98/877051298.db2.gz RHJCKAXXJGDABR-INIZCTEOSA-N 0 0 392.427 3.750 10 0 GHAERN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)N[C@H]1CCCc2cc(F)ccc21 ZINC000129469091 877325132 /nfs/dbraw/zinc/32/51/32/877325132.db2.gz ZZSAIQYPJIHTFT-ICSRJNTNSA-N 0 0 387.499 3.684 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000121906601 878033594 /nfs/dbraw/zinc/03/35/94/878033594.db2.gz XEMXBQGELODEPA-GDBMZVCRSA-N 0 0 381.432 3.675 10 0 GHAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3Cc4ccccc4N(C)C[C@H]3C)c12 ZINC000175212623 878711070 /nfs/dbraw/zinc/71/10/70/878711070.db2.gz AOAPLVLTYHRAEU-CQSZACIVSA-N 0 0 389.503 3.635 10 0 GHAERN O=C1c2ccccc2C(=O)N1CCSc1nnc(Nc2ccccc2)s1 ZINC000003529039 879052832 /nfs/dbraw/zinc/05/28/32/879052832.db2.gz KZHGGWYMRINKAR-UHFFFAOYSA-N 0 0 382.470 3.670 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C(=O)NC4CC4)cc3)C2)cc1 ZINC000122751353 879398536 /nfs/dbraw/zinc/39/85/36/879398536.db2.gz PSELOIKEPIQNJT-DNVCBOLYSA-N 0 0 378.472 3.606 10 0 GHAERN Cc1nc([C@H](NC(=O)[C@H](C)Oc2cccc(C=O)c2)c2ccc(Cl)cc2)no1 ZINC000181285508 883132638 /nfs/dbraw/zinc/13/26/38/883132638.db2.gz RFBIXHPJSJWFJM-KPZWWZAWSA-N 0 0 399.834 3.517 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)c3c(C)cc(C)nc3Cl)CC2)nc1 ZINC000181806276 883185606 /nfs/dbraw/zinc/18/56/06/883185606.db2.gz MRKZHHXQETVMMW-UHFFFAOYSA-N 0 0 386.883 3.546 10 0 GHAERN CC(C)=CCSc1ccccc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000181925145 883193680 /nfs/dbraw/zinc/19/36/80/883193680.db2.gz GZUPFWSBGUYUSH-UHFFFAOYSA-N 0 0 399.560 3.954 10 0 GHAERN O=C([C@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181930920 883193755 /nfs/dbraw/zinc/19/37/55/883193755.db2.gz ABHMRMQPKWWGBB-YADHBBJMSA-N 0 0 389.499 3.538 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](C)c3ccc(NC(C)=O)cc3)cc2)CCC(=O)NC1=O ZINC000182213001 883211339 /nfs/dbraw/zinc/21/13/39/883211339.db2.gz GQUGDYVEWKFUAO-IQMFZBJNSA-N 0 0 393.487 3.903 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000182406284 883219096 /nfs/dbraw/zinc/21/90/96/883219096.db2.gz YCJVCXHOELQCQH-LSDHHAIUSA-N 0 0 392.912 3.587 10 0 GHAERN CCCOc1ccc(CNC(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)cc1 ZINC000102447615 883230082 /nfs/dbraw/zinc/23/00/82/883230082.db2.gz VZYDNVKNFRWSQA-LJQANCHMSA-N 0 0 397.519 3.810 10 0 GHAERN CN1CC[NH+]([C@@H]2CCCCN(Cc3csc(-c4ccc(F)cc4)n3)C2)CC1 ZINC000182899502 883247129 /nfs/dbraw/zinc/24/71/29/883247129.db2.gz ARRUEQJXXPTCGT-HXUWFJFHSA-N 0 0 388.556 3.551 10 0 GHAERN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1c(Cl)ccc(Cl)c1Cl ZINC000183055589 883257582 /nfs/dbraw/zinc/25/75/82/883257582.db2.gz FNCKYWDVDKUYKA-ZDUSSCGKSA-N 0 0 398.677 3.967 10 0 GHAERN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCCN(c2ccccn2)CC1 ZINC000183548084 883270020 /nfs/dbraw/zinc/27/00/20/883270020.db2.gz FDSHLVIRNGEZJF-UHFFFAOYSA-N 0 0 388.880 3.804 10 0 GHAERN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000183218193 883272638 /nfs/dbraw/zinc/27/26/38/883272638.db2.gz KPYNENZIWGNJTP-QXAKKESOSA-N 0 0 399.878 3.595 10 0 GHAERN Cc1nn(-c2ccccc2)cc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000183679896 883279594 /nfs/dbraw/zinc/27/95/94/883279594.db2.gz AJCWEALPSCBKKL-UHFFFAOYSA-N 0 0 390.491 3.675 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)Cc2ccccc2C)c2ccc(F)cc2C1 ZINC000184015822 883298366 /nfs/dbraw/zinc/29/83/66/883298366.db2.gz HTYLVHXSNDBSMP-KSFYIVLOSA-N 0 0 397.494 3.858 10 0 GHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000184085488 883314971 /nfs/dbraw/zinc/31/49/71/883314971.db2.gz LOKMPXOFGDZNRN-AWEZNQCLSA-N 0 0 376.848 3.566 10 0 GHAERN Cc1cccc(OC(F)F)c1NC(=O)N1CCCN(c2ccccn2)CC1 ZINC000184101240 883319436 /nfs/dbraw/zinc/31/94/36/883319436.db2.gz ARTGORCEAGFMIV-UHFFFAOYSA-N 0 0 376.407 3.736 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)NC[C@@H](C)c3ncc(C)s3)C2)c1 ZINC000184456612 883336614 /nfs/dbraw/zinc/33/66/14/883336614.db2.gz AEHUDDUDFSKCRY-HIFRSBDPSA-N 0 0 389.521 3.771 10 0 GHAERN CSCc1ccccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000184750269 883365611 /nfs/dbraw/zinc/36/56/11/883365611.db2.gz KNSYJDWBJAQZKC-UHFFFAOYSA-N 0 0 389.546 3.991 10 0 GHAERN Cc1cc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1Cl ZINC000184690672 883373973 /nfs/dbraw/zinc/37/39/73/883373973.db2.gz DTQDXDFTCMNZED-UHFFFAOYSA-N 0 0 388.870 3.956 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N(C)C)cc2)c2ccc(F)cc2C1 ZINC000184827000 883385310 /nfs/dbraw/zinc/38/53/10/883385310.db2.gz HMHHEDNCQXCDDK-HXUWFJFHSA-N 0 0 384.455 3.507 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N3CC[C@H](c4ccccc4)C3)C2)c1 ZINC000102464044 883424376 /nfs/dbraw/zinc/42/43/76/883424376.db2.gz QWTARKOVUUWIRE-ICSRJNTNSA-N 0 0 379.504 3.721 10 0 GHAERN CCOCc1cccc(NC(=O)N[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185299310 883432790 /nfs/dbraw/zinc/43/27/90/883432790.db2.gz ZSFNERUSMUBATJ-NRFANRHFSA-N 0 0 399.466 3.977 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(F)cc2C1 ZINC000185291867 883432973 /nfs/dbraw/zinc/43/29/73/883432973.db2.gz ZCENKAXWIONLGF-FQEVSTJZSA-N 0 0 380.423 3.922 10 0 GHAERN O=C(c1cc(COc2ccccc2F)on1)N1CCC(Cc2ccccn2)CC1 ZINC000185503079 883546523 /nfs/dbraw/zinc/54/65/23/883546523.db2.gz VUJQLYCSNXJFSL-UHFFFAOYSA-N 0 0 395.434 3.883 10 0 GHAERN CCOc1ccccc1CCC(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185509915 883547845 /nfs/dbraw/zinc/54/78/45/883547845.db2.gz XTEGMFUBVYAZLQ-NRFANRHFSA-N 0 0 398.478 3.767 10 0 GHAERN COc1cc(Cl)ccc1C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185505074 883547940 /nfs/dbraw/zinc/54/79/40/883547940.db2.gz PGAUFCCSEPWPSW-GOSISDBHSA-N 0 0 390.842 3.711 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)c2ccccc2OCC2CC2)c2ccc(F)cc2C1 ZINC000185520814 883550505 /nfs/dbraw/zinc/55/05/05/883550505.db2.gz KEURPFVQGSDIPF-NRFANRHFSA-N 0 0 396.462 3.838 10 0 GHAERN O=C(NC1CCN(c2cccs2)CC1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000185533433 883551391 /nfs/dbraw/zinc/55/13/91/883551391.db2.gz QFPIXQSNFSRAJW-OAQYLSRUSA-N 0 0 383.517 3.558 10 0 GHAERN COc1cccc(/C(C)=C/C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)c1 ZINC000185538934 883552860 /nfs/dbraw/zinc/55/28/60/883552860.db2.gz PAXASSBNBMZHLX-DAXPHYLKSA-N 0 0 396.462 3.847 10 0 GHAERN CCC(CC)c1cc(C(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)on1 ZINC000185545062 883553751 /nfs/dbraw/zinc/55/37/51/883553751.db2.gz XHXJPHIMADVDDT-GOSISDBHSA-N 0 0 387.455 3.941 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H](C)OC2CCCCCC2)c2ccc(F)cc2C1 ZINC000185545978 883553774 /nfs/dbraw/zinc/55/37/74/883553774.db2.gz UWXBAVSEAHNZMB-BTYIYWSLSA-N 0 0 390.499 3.863 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)c2ccc(F)cc2C1 ZINC000185566315 883558321 /nfs/dbraw/zinc/55/83/21/883558321.db2.gz OXYSSZLZYUHQFR-HXUWFJFHSA-N 0 0 386.442 3.852 10 0 GHAERN CC(=O)[C@H](C)CCCCC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185688306 883573893 /nfs/dbraw/zinc/57/38/93/883573893.db2.gz FMCXAHZHVYXRIC-JLTOFOAXSA-N 0 0 376.472 3.521 10 0 GHAERN COCCN(Cc1ccccc1)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567094 883576427 /nfs/dbraw/zinc/57/64/27/883576427.db2.gz YRKUFXWWGJNGRG-UHFFFAOYSA-N 0 0 397.450 3.881 10 0 GHAERN O=C(c1cnc(-c2ccccc2F)s1)N1CCCN(c2ccccn2)CC1 ZINC000186450340 883646678 /nfs/dbraw/zinc/64/66/78/883646678.db2.gz GVWFVZFDJOQNKB-UHFFFAOYSA-N 0 0 382.464 3.697 10 0 GHAERN CN(C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)[C@H]1CCCN(c2ccccc2)C1 ZINC000186577875 883664271 /nfs/dbraw/zinc/66/42/71/883664271.db2.gz RQCPCRNVAZJAIK-IBGZPJMESA-N 0 0 393.491 3.797 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@@H](c3ccccc3)c3cccnc3)ccc2NC1=O ZINC000186592545 883667187 /nfs/dbraw/zinc/66/71/87/883667187.db2.gz XEJIGASADOTGSO-FQEVSTJZSA-N 0 0 387.443 3.970 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)no1 ZINC000186648607 883680440 /nfs/dbraw/zinc/68/04/40/883680440.db2.gz UUHNIVMKEIMIED-HNNXBMFYSA-N 0 0 384.440 3.539 10 0 GHAERN CN(c1ccccc1)C1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186675420 883686405 /nfs/dbraw/zinc/68/64/05/883686405.db2.gz FKJACXMFPFFIKG-UHFFFAOYSA-N 0 0 393.491 3.797 10 0 GHAERN O=C(c1cccnc1)N1CCN(Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000186684009 883688106 /nfs/dbraw/zinc/68/81/06/883688106.db2.gz IPKZJRWSPANGMP-UHFFFAOYSA-N 0 0 398.919 3.817 10 0 GHAERN Cc1csc([C@H]2COCCN2C(=O)c2cc(F)c(Cl)nc2Cl)n1 ZINC000188572258 883857942 /nfs/dbraw/zinc/85/79/42/883857942.db2.gz QCIJQVJICARKDU-SNVBAGLBSA-N 0 0 376.240 3.506 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000188686468 883869859 /nfs/dbraw/zinc/86/98/59/883869859.db2.gz MMNXZPYOHMHLCN-SFHVURJKSA-N 0 0 398.434 3.644 10 0 GHAERN O=C(N[C@@H](CCCO)c1ccccc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189235632 883915533 /nfs/dbraw/zinc/91/55/33/883915533.db2.gz KURIGXQBGSMELH-FQEVSTJZSA-N 0 0 380.488 3.778 10 0 GHAERN O=C(c1cc2sccc2[nH]1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000189235883 883915983 /nfs/dbraw/zinc/91/59/83/883915983.db2.gz JJPLEZPPQQWEFQ-CQSZACIVSA-N 0 0 379.485 3.986 10 0 GHAERN COCCn1ccc2ccc(NC(=O)N3CCC(Nc4nccs4)CC3)cc21 ZINC000189275926 883926439 /nfs/dbraw/zinc/92/64/39/883926439.db2.gz WLYWAQFGKRBTRA-UHFFFAOYSA-N 0 0 399.520 3.853 10 0 GHAERN CCN(Cc1c[nH]c2ccccc12)C(=O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000189577552 883964825 /nfs/dbraw/zinc/96/48/25/883964825.db2.gz UKDPEJWGWDEKKM-OAQYLSRUSA-N 0 0 390.487 3.606 10 0 GHAERN O=C(c1cc2cc(F)ccc2oc1=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189830547 884014396 /nfs/dbraw/zinc/01/43/96/884014396.db2.gz DEAOKVFOQVFBST-UHFFFAOYSA-N 0 0 379.387 3.641 10 0 GHAERN O=C(c1ccc(OCC(F)(F)F)nc1)N1CC2(CCOCC2)c2ccccc21 ZINC000189854939 884017830 /nfs/dbraw/zinc/01/78/30/884017830.db2.gz XKUVDIHOCNUZQV-UHFFFAOYSA-N 0 0 392.377 3.731 10 0 GHAERN Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)no2)c1 ZINC000190277427 884062990 /nfs/dbraw/zinc/06/29/90/884062990.db2.gz PKXOGSOYLXHIKJ-CQSZACIVSA-N 0 0 386.402 3.526 10 0 GHAERN CC(C)Cn1ncc(C(=O)N2CCC(Nc3nccs3)CC2)c1C(F)F ZINC000190368763 884072190 /nfs/dbraw/zinc/07/21/90/884072190.db2.gz DODSNTDPJNNSAA-UHFFFAOYSA-N 0 0 383.468 3.650 10 0 GHAERN O=C(Cc1ccc(F)c(Br)c1)N1CCC(Nc2nccs2)CC1 ZINC000190372747 884072322 /nfs/dbraw/zinc/07/23/22/884072322.db2.gz CAEGOBALLFXRFH-UHFFFAOYSA-N 0 0 398.301 3.690 10 0 GHAERN Cc1ccc(Br)c(C(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190421159 884079159 /nfs/dbraw/zinc/07/91/59/884079159.db2.gz FBDWBMZSRNKAHV-UHFFFAOYSA-N 0 0 380.311 3.931 10 0 GHAERN O=C(c1csc(Cc2ccccc2)n1)N1CCC(Nc2nccs2)CC1 ZINC000190426534 884080464 /nfs/dbraw/zinc/08/04/64/884080464.db2.gz JTKGQMPLIASGLS-UHFFFAOYSA-N 0 0 384.530 3.907 10 0 GHAERN COc1ccc2[nH]cc(C3=CCN(C(=O)c4ccc5c(c4)NC(=O)C5)CC3)c2c1 ZINC000190546555 884097407 /nfs/dbraw/zinc/09/74/07/884097407.db2.gz HMWRTMBAERCDPQ-UHFFFAOYSA-N 0 0 387.439 3.601 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1cccc(N3CCCCCC3)c1)CC2 ZINC000152255934 884149165 /nfs/dbraw/zinc/14/91/65/884149165.db2.gz KVKUGZUUIIVSFF-SFHVURJKSA-N 0 0 396.539 3.918 10 0 GHAERN Nc1c(Cl)cc(NC(=O)N2CCCN(c3ccccn3)CC2)cc1Cl ZINC000192312200 884251704 /nfs/dbraw/zinc/25/17/04/884251704.db2.gz ZTKRAZTWYFCJLO-UHFFFAOYSA-N 0 0 380.279 3.715 10 0 GHAERN CCCNc1ccc(CNC(=O)NC2CCN(c3cccc(C)n3)CC2)cc1 ZINC000192492225 884266177 /nfs/dbraw/zinc/26/61/77/884266177.db2.gz FJEFCJYSIXUYBJ-UHFFFAOYSA-N 0 0 381.524 3.680 10 0 GHAERN O=C(Nc1ccc(Cl)c(F)c1)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192931453 884314286 /nfs/dbraw/zinc/31/42/86/884314286.db2.gz ZWZDQTUTTLBZCV-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN CC[C@@H](NC(=O)N1CCC[C@H](c2nnc3ccccn32)C1)c1ccc(OC)cc1 ZINC000193241953 884333294 /nfs/dbraw/zinc/33/32/94/884333294.db2.gz RTVZUMAXVSFUED-PKOBYXMFSA-N 0 0 393.491 3.778 10 0 GHAERN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000193261051 884335128 /nfs/dbraw/zinc/33/51/28/884335128.db2.gz IBNUKWKVBQQALW-INIZCTEOSA-N 0 0 389.402 3.555 10 0 GHAERN C[C@@H](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)NC(=O)C1CCCCC1 ZINC000102914971 884632495 /nfs/dbraw/zinc/63/24/95/884632495.db2.gz KOIUDKJXHBFBMA-MAUKXSAKSA-N 0 0 386.492 3.554 10 0 GHAERN COC(=O)CC[C@H](NC(=O)c1cnc2onc(C(C)C)c2c1)c1ccccc1 ZINC000105988351 884941960 /nfs/dbraw/zinc/94/19/60/884941960.db2.gz PJJFRTUGTUQSKQ-KRWDZBQOSA-N 0 0 381.432 3.771 10 0 GHAERN O=C(c1ccc(-n2cccc2)c(F)c1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000104354159 885389578 /nfs/dbraw/zinc/38/95/78/885389578.db2.gz QDKLRRHTZGRDBR-LJQANCHMSA-N 0 0 379.435 3.833 10 0 GHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000102483433 885971647 /nfs/dbraw/zinc/97/16/47/885971647.db2.gz BWGKQCINWNOYPK-UHFFFAOYSA-N 0 0 384.307 3.643 10 0 GHAERN Cc1nnc([C@@H](NC(=O)Cc2nc(-c3ccsc3)oc2C)c2ccccc2)[nH]1 ZINC000103280340 885989539 /nfs/dbraw/zinc/98/95/39/885989539.db2.gz AEQLDPKRVDQLCK-SFHVURJKSA-N 0 0 393.472 3.586 10 0 GHAERN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1nc(Cc2ccccc2)ns1 ZINC000107356377 886047244 /nfs/dbraw/zinc/04/72/44/886047244.db2.gz DJTMZBOQCAYDJK-OAHLLOKOSA-N 0 0 396.497 3.571 10 0 GHAERN O=C(C1CC1)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1 ZINC000109884079 886160351 /nfs/dbraw/zinc/16/03/51/886160351.db2.gz WHIMCYRNYSKWFZ-AEFFLSMTSA-N 0 0 397.544 3.999 10 0 GHAERN C[C@H](SCc1ccccc1)C(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307132 886257886 /nfs/dbraw/zinc/25/78/86/886257886.db2.gz AZRZCRZSAAZXCZ-INIZCTEOSA-N 0 0 388.558 3.745 10 0 GHAERN O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218326 886286377 /nfs/dbraw/zinc/28/63/77/886286377.db2.gz SYNALXHCASPELS-GOSISDBHSA-N 0 0 398.466 3.938 10 0 GHAERN Cc1[nH]nc2ncc(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)c[nH]4)C3)cc12 ZINC000113218987 886286484 /nfs/dbraw/zinc/28/64/84/886286484.db2.gz MFRDBRRZLXBPAO-INIZCTEOSA-N 0 0 386.459 3.676 10 0 GHAERN COc1cccc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)c1O ZINC000113444183 886295346 /nfs/dbraw/zinc/29/53/46/886295346.db2.gz OLYALBYZVWBQHD-INIZCTEOSA-N 0 0 377.444 3.811 10 0 GHAERN O=C(NCCc1cccnc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113587576 886296430 /nfs/dbraw/zinc/29/64/30/886296430.db2.gz QYZSLLDAQANSSF-IBGZPJMESA-N 0 0 375.476 3.603 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000114812422 886328773 /nfs/dbraw/zinc/32/87/73/886328773.db2.gz PSYAYPQLFPHEEY-UONOGXRCSA-N 0 0 388.493 3.528 10 0 GHAERN Cc1c(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cccc1C(=O)N1CCSCC1 ZINC000117638588 886389385 /nfs/dbraw/zinc/38/93/85/886389385.db2.gz PFZZPCFDFQBYRS-FOIQADDNSA-N 0 0 396.512 3.687 10 0 GHAERN COc1cccc(CN2CCC(C(=O)N3CCCCCC3)CC2)c1OC(F)F ZINC000121040548 886538170 /nfs/dbraw/zinc/53/81/70/886538170.db2.gz RMPOTMYQLOHNFH-UHFFFAOYSA-N 0 0 396.478 3.911 10 0 GHAERN Cc1cn2c(n1)[C@@H](CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C)CCC2 ZINC000332896079 886557493 /nfs/dbraw/zinc/55/74/93/886557493.db2.gz UVVRZOCABFQCMK-MSOLQXFVSA-N 0 0 384.528 3.736 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)Nc1ccccc1N1CCCCCC1)CC2 ZINC000151826408 886624809 /nfs/dbraw/zinc/62/48/09/886624809.db2.gz VGNIFUQFZDKPLP-KRWDZBQOSA-N 0 0 396.539 3.918 10 0 GHAERN Cc1nc([C@@H](NC(=O)N2CCC[C@@H]2c2ccncc2)c2ccccc2F)no1 ZINC000124219353 886719023 /nfs/dbraw/zinc/71/90/23/886719023.db2.gz KWQBWRKYFXPRQO-MSOLQXFVSA-N 0 0 381.411 3.548 10 0 GHAERN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000104931447 886797369 /nfs/dbraw/zinc/79/73/69/886797369.db2.gz ZBAZCSWXDHCBCJ-AWEZNQCLSA-N 0 0 391.345 3.534 10 0 GHAERN CCCCCc1nnc(NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)s1 ZINC000043406385 886860672 /nfs/dbraw/zinc/86/06/72/886860672.db2.gz XQDGKJOKRPCUJU-AWEZNQCLSA-N 0 0 399.524 3.725 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N[C@H](C)c2noc(-c3ccccc3)n2)cc1 ZINC000125526529 886875362 /nfs/dbraw/zinc/87/53/62/886875362.db2.gz AZZQTSOFRMCNHG-CQSZACIVSA-N 0 0 379.416 3.586 10 0 GHAERN O=C(Nc1nc(C2CC2)cs1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000043650635 886876364 /nfs/dbraw/zinc/87/63/64/886876364.db2.gz VEYCKTHBIDTLOP-UHFFFAOYSA-N 0 0 376.526 3.667 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000125861519 886906697 /nfs/dbraw/zinc/90/66/97/886906697.db2.gz JHZXNJSRTIBFAH-UHFFFAOYSA-N 0 0 398.551 3.900 10 0 GHAERN O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000127327290 887052292 /nfs/dbraw/zinc/05/22/92/887052292.db2.gz NRUIYZRLCPDSFJ-GOEBONIOSA-N 0 0 395.429 3.739 10 0 GHAERN COc1ccccc1CCN(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000104989672 887090711 /nfs/dbraw/zinc/09/07/11/887090711.db2.gz RPZQUPKLXIDIQS-UHFFFAOYSA-N 0 0 381.476 3.638 10 0 GHAERN COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)c2nccn2C)cc1 ZINC000127955941 887128402 /nfs/dbraw/zinc/12/84/02/887128402.db2.gz QPDJXXPXGIUFSJ-HBMCJLEFSA-N 0 0 375.472 3.746 10 0 GHAERN CCSc1cc(Cl)ccc1C(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000128115338 887147591 /nfs/dbraw/zinc/14/75/91/887147591.db2.gz GWZHOTYOAXYHIJ-UHFFFAOYSA-N 0 0 393.940 3.661 10 0 GHAERN O=C(c1cccnc1Br)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000128378616 887177650 /nfs/dbraw/zinc/17/76/50/887177650.db2.gz ZIJBEZONUGQABL-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CCc2ccccc2OC)cc1 ZINC000105015345 887227407 /nfs/dbraw/zinc/22/74/07/887227407.db2.gz FCTOKUBYYOFHBT-MRXNPFEDSA-N 0 0 383.492 3.930 10 0 GHAERN COC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)Nc2c(C)noc2C2CC2)C1 ZINC000129218800 887272845 /nfs/dbraw/zinc/27/28/45/887272845.db2.gz ULXPNKCGDSBSMY-IRXDYDNUSA-N 0 0 383.448 3.671 10 0 GHAERN O=C(c1ccc(SC(F)(F)F)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000130467591 887436081 /nfs/dbraw/zinc/43/60/81/887436081.db2.gz DWHFBOIDCWWODP-XJKSGUPXSA-N 0 0 398.450 3.914 10 0 GHAERN C[S@@](=O)c1ccc(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000130559653 887448541 /nfs/dbraw/zinc/44/85/41/887448541.db2.gz HQQSXOFHNDQLAD-CPJLOUKISA-N 0 0 378.881 3.763 10 0 GHAERN COCCOc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000130987367 887494897 /nfs/dbraw/zinc/49/48/97/887494897.db2.gz VKAGCQGPXRYQDY-UHFFFAOYSA-N 0 0 375.494 3.564 10 0 GHAERN O=C(CCc1ccsc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000052166920 887822299 /nfs/dbraw/zinc/82/22/99/887822299.db2.gz GCUQDZLZPWIGJR-UHFFFAOYSA-N 0 0 383.439 3.833 10 0 GHAERN Cc1cc(C)n(Cc2ccc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)cc2)n1 ZINC000134072591 887832043 /nfs/dbraw/zinc/83/20/43/887832043.db2.gz UITNWLWPXSNQHX-NRFANRHFSA-N 0 0 379.460 3.663 10 0 GHAERN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)NC1CCN(c2cccs2)CC1 ZINC000134104837 887835144 /nfs/dbraw/zinc/83/51/44/887835144.db2.gz NZTOGZKYZRUJNP-SFHVURJKSA-N 0 0 387.505 3.706 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000134284141 887848951 /nfs/dbraw/zinc/84/89/51/887848951.db2.gz UUACSPNYLBYIBW-GHTZIAJQSA-N 0 0 391.471 3.798 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000134284097 887849045 /nfs/dbraw/zinc/84/90/45/887849045.db2.gz UUACSPNYLBYIBW-WIYYLYMNSA-N 0 0 391.471 3.798 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2sc3ccccc3c2Cl)C1 ZINC000134291965 887850157 /nfs/dbraw/zinc/85/01/57/887850157.db2.gz RHBPPCINMGEVQF-LRDDRELGSA-N 0 0 389.908 3.874 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000134298737 887850377 /nfs/dbraw/zinc/85/03/77/887850377.db2.gz CIWWHRGHFHTTAI-NHCUHLMSSA-N 0 0 375.472 3.673 10 0 GHAERN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000134373892 887865500 /nfs/dbraw/zinc/86/55/00/887865500.db2.gz VWAKBRVHIPOGEY-CZUORRHYSA-N 0 0 387.867 3.714 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C(F)F)CC2)n1 ZINC000135037464 887935994 /nfs/dbraw/zinc/93/59/94/887935994.db2.gz NOQSHRRIBIXQSK-UHFFFAOYSA-N 0 0 391.466 3.579 10 0 GHAERN Cc1cc(CSc2ccccc2C(=O)N[C@@H](C)c2nnc3n2CCCC3)on1 ZINC000135351314 888230648 /nfs/dbraw/zinc/23/06/48/888230648.db2.gz GLEXKZWSVDVYIV-AWEZNQCLSA-N 0 0 397.504 3.694 10 0 GHAERN O=C(c1cccc(Br)n1)N1CCC(Nc2ccccc2F)CC1 ZINC000137258307 888343828 /nfs/dbraw/zinc/34/38/28/888343828.db2.gz AKBAZKBHPCFHML-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1)c1ccsc1 ZINC000056469320 888362071 /nfs/dbraw/zinc/36/20/71/888362071.db2.gz CDYHXKXHTGQNLJ-VQTJNVASSA-N 0 0 398.528 3.637 10 0 GHAERN CCCOc1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 ZINC000056442294 888362195 /nfs/dbraw/zinc/36/21/95/888362195.db2.gz BVBVMWFZQVPZTJ-VSRDTVRMSA-N 0 0 385.485 3.524 10 0 GHAERN Cc1cc(N2CCOCC2)ccc1NC(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000056602936 888369733 /nfs/dbraw/zinc/36/97/33/888369733.db2.gz VJTQQDXQPWECGJ-SFHVURJKSA-N 0 0 394.519 3.577 10 0 GHAERN Cc1nnc([C@@H](NC(=O)c2cccc(OCc3cccnc3)c2)c2ccccc2)[nH]1 ZINC000057890740 888417720 /nfs/dbraw/zinc/41/77/20/888417720.db2.gz MBFCPXCPMOUNRG-NRFANRHFSA-N 0 0 399.454 3.607 10 0 GHAERN Cc1cc(C)n(CC2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1 ZINC000062131213 888500163 /nfs/dbraw/zinc/50/01/63/888500163.db2.gz ZXOOBLVUHBAIBM-UHFFFAOYSA-N 0 0 381.455 3.582 10 0 GHAERN CN(c1ccccc1)C1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000193927828 888541582 /nfs/dbraw/zinc/54/15/82/888541582.db2.gz GCUCKZZKRGAKIR-HXUWFJFHSA-N 0 0 395.528 3.617 10 0 GHAERN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000194038932 888549991 /nfs/dbraw/zinc/54/99/91/888549991.db2.gz VCYQWVNKDOOUSE-HNNXBMFYSA-N 0 0 391.393 3.741 10 0 GHAERN COc1cccc(C2CCN(C(=O)C[C@H]3Sc4ccccc4NC3=O)CC2)c1 ZINC000194787559 888619891 /nfs/dbraw/zinc/61/98/91/888619891.db2.gz LERDRJCHUCYNOZ-HXUWFJFHSA-N 0 0 396.512 3.904 10 0 GHAERN COc1ccccc1-n1ncc(C(=O)N2CCC[C@H](c3nccs3)C2)c1C ZINC000195219549 888654631 /nfs/dbraw/zinc/65/46/31/888654631.db2.gz SLAFRKBGTBLWRP-HNNXBMFYSA-N 0 0 382.489 3.666 10 0 GHAERN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCC[C@@H](c2nccs2)C1 ZINC000195354382 888655070 /nfs/dbraw/zinc/65/50/70/888655070.db2.gz DFVSJTDUENWAMV-QGZVFWFLSA-N 0 0 395.532 3.764 10 0 GHAERN Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245559477 888942762 /nfs/dbraw/zinc/94/27/62/888942762.db2.gz IEHMKJCUHDOOMQ-HKUYNNGSSA-N 0 0 392.906 3.783 10 0 GHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245750427 889630356 /nfs/dbraw/zinc/63/03/56/889630356.db2.gz DBZUUPGELNIDBR-CGTJXYLNSA-N 0 0 380.448 3.656 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1NC(=O)c1ccccc1 ZINC000245764291 889667673 /nfs/dbraw/zinc/66/76/73/889667673.db2.gz FRMOXYHVLSNBQH-CEWLAPEOSA-N 0 0 390.483 3.935 10 0 GHAERN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)N[C@H](C)c2nc(C)cs2)C1 ZINC000245927686 890030430 /nfs/dbraw/zinc/03/04/30/890030430.db2.gz IFJXTCRDSQUJCK-HYVNUMGLSA-N 0 0 387.505 3.501 10 0 GHAERN CC(=O)Nc1ccc(C=CC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000065818060 890189436 /nfs/dbraw/zinc/18/94/36/890189436.db2.gz OIVKEFVOCVTNKV-RMKNXTFCSA-N 0 0 388.471 3.941 10 0 GHAERN COC[C@H](NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1ccc(F)c(F)c1 ZINC000246019481 890189700 /nfs/dbraw/zinc/18/97/00/890189700.db2.gz LFQOHLYADUSTJP-FHLIZLRMSA-N 0 0 394.418 3.543 10 0 GHAERN CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000246083670 890324750 /nfs/dbraw/zinc/32/47/50/890324750.db2.gz HWTZEPGQWIKWKQ-ZYSHUDEJSA-N 0 0 399.491 3.928 10 0 GHAERN Cc1nn(C)c(=O)c(-c2nc(CN3C[C@@H](C)[C@H]3c3ccccc3)cs2)c1C ZINC000246126815 890428207 /nfs/dbraw/zinc/42/82/07/890428207.db2.gz DWLHJFBYHIMWNK-YJYMSZOUSA-N 0 0 380.517 3.714 10 0 GHAERN CC[S@](=O)c1ccccc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246365189 891073543 /nfs/dbraw/zinc/07/35/43/891073543.db2.gz GXIQUXYPANBGHX-NTFQWFPTSA-N 0 0 389.492 3.682 10 0 GHAERN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000068489822 891182074 /nfs/dbraw/zinc/18/20/74/891182074.db2.gz BZKFEZMYDVJVFD-INIZCTEOSA-N 0 0 379.460 3.981 10 0 GHAERN c1c(CN2CCS[C@H]3COCC[C@H]32)c(-c2ccncc2)nn1-c1ccccc1 ZINC000246817708 891310586 /nfs/dbraw/zinc/31/05/86/891310586.db2.gz RFYAUTCOFHZSNE-RTWAWAEBSA-N 0 0 392.528 3.641 10 0 GHAERN O=C(Cc1c[nH]c2cc(Br)ccc12)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247078438 891343574 /nfs/dbraw/zinc/34/35/74/891343574.db2.gz QQDIPKNUBJUQNE-ZMSDIMECSA-N 0 0 377.282 3.547 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1sccc1Br ZINC000247218514 891356128 /nfs/dbraw/zinc/35/61/28/891356128.db2.gz MWZMOEJIWVBRNF-IUODEOHRSA-N 0 0 394.338 3.546 10 0 GHAERN CC1CCN(C(=O)c2ccc(NC(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)cc2)CC1 ZINC000247386228 891373205 /nfs/dbraw/zinc/37/32/05/891373205.db2.gz LJEOWLLHTYLWEL-ZCNNSNEGSA-N 0 0 385.508 3.638 10 0 GHAERN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000247737014 891394357 /nfs/dbraw/zinc/39/43/57/891394357.db2.gz LORXDFTWIRGLAC-MRXNPFEDSA-N 0 0 398.470 3.875 10 0 GHAERN Cc1ccc(N2CCC[C@H](NC(=O)Nc3ccccc3C[S@@](C)=O)C2)cc1 ZINC000248391218 891422408 /nfs/dbraw/zinc/42/24/08/891422408.db2.gz CXMBTKKKBUAJMX-XRHLQHRESA-N 0 0 385.533 3.664 10 0 GHAERN Cc1ccc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cc1N1CCCS1(=O)=O ZINC000248540776 891425812 /nfs/dbraw/zinc/42/58/12/891425812.db2.gz BNKYTTQXZKCLNT-JXFKEZNVSA-N 0 0 399.516 3.760 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)CCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000248617534 891446250 /nfs/dbraw/zinc/44/62/50/891446250.db2.gz JNPMPOSXYZNLMD-AVYPCKFXSA-N 0 0 375.488 3.839 10 0 GHAERN Cc1cnc([C@H](C)CNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)s1 ZINC000248625957 891446375 /nfs/dbraw/zinc/44/63/75/891446375.db2.gz OBQKXTJLYGTZCO-BPLDGKMQSA-N 0 0 379.551 3.914 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2C)c2ccc(F)cc2C1 ZINC000248642141 891450346 /nfs/dbraw/zinc/45/03/46/891450346.db2.gz MWDPDTJETHHCIG-FKBYEOEOSA-N 0 0 380.463 3.847 10 0 GHAERN Cc1nc([C@H](NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c2ccccc2F)no1 ZINC000248651295 891451527 /nfs/dbraw/zinc/45/15/27/891451527.db2.gz UYHKDGCVOIOJDD-ZNZDAUKMSA-N 0 0 395.438 3.794 10 0 GHAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)C[C@@H](C)C1 ZINC000163032507 893362462 /nfs/dbraw/zinc/36/24/62/893362462.db2.gz GDMFZFHWRLCSSA-IXDOHACOSA-N 0 0 375.488 3.964 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1 ZINC000102379232 898007555 /nfs/dbraw/zinc/00/75/55/898007555.db2.gz NGYSHKOHUNVGEQ-UHFFFAOYSA-N 0 0 377.444 3.840 10 0 GHAERN COc1cccc(N2CC[C@H](CNC(=O)NCc3cccc4cccnc43)C2)c1 ZINC000102451244 898010289 /nfs/dbraw/zinc/01/02/89/898010289.db2.gz GOBIFZHCRLHVDC-QGZVFWFLSA-N 0 0 390.487 3.569 10 0 GHAERN C[C@@H](NC(=O)C[S@@](=O)Cc1csc(Br)c1)c1cccs1 ZINC000103224378 898072555 /nfs/dbraw/zinc/07/25/55/898072555.db2.gz BDEMJESHYAGPAH-GSDQLPOLSA-N 0 0 392.365 3.698 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000105195198 898201232 /nfs/dbraw/zinc/20/12/32/898201232.db2.gz XEFNKTZSPHXPQB-KRWDZBQOSA-N 0 0 396.491 3.764 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000121089513 899949927 /nfs/dbraw/zinc/94/99/27/899949927.db2.gz AFTMOIVZWWVYHT-IFBFIDGASA-N 0 0 392.368 3.903 10 0 GHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000282982038 902031923 /nfs/dbraw/zinc/03/19/23/902031923.db2.gz BRXHKBLRZHVHEI-QFBILLFUSA-N 0 0 384.524 3.697 10 0 GHAERN Cc1noc([C@@H]2CC[C@H](CNC(=O)N3CCC[C@@H]3c3cccc(Cl)c3)O2)n1 ZINC000333725105 902294570 /nfs/dbraw/zinc/29/45/70/902294570.db2.gz OPAISOGGRFXPHY-ZACQAIPSSA-N 0 0 390.871 3.798 10 0 GHAERN O=C1CC2(CCCCC2)N(Cc2cc3c(cc2Br)OCCCO3)N1 ZINC000333814735 902344336 /nfs/dbraw/zinc/34/43/36/902344336.db2.gz HQDWQSHAJVIBGE-UHFFFAOYSA-N 0 0 395.297 3.550 10 0 GHAERN C[C@@H]1CC[C@H](NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)c2ccccc21 ZINC000334016039 902503245 /nfs/dbraw/zinc/50/32/45/902503245.db2.gz YXGUVPYBNCMNAC-YZLZLFLDSA-N 0 0 377.488 3.616 10 0 GHAERN O=C(N[C@@H]1CCc2c1cccc2F)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000334047330 902524677 /nfs/dbraw/zinc/52/46/77/902524677.db2.gz QNHGPSZXZOHTPB-GCJKJVERSA-N 0 0 380.419 3.633 10 0 GHAERN Cc1nc2ccccc2n1CCCOC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000103688052 905431907 /nfs/dbraw/zinc/43/19/07/905431907.db2.gz HSLVSHFKOYIMGV-QGZVFWFLSA-N 0 0 385.508 3.563 10 0 GHAERN CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ccc(Br)cc1)C2 ZINC000182862207 907279184 /nfs/dbraw/zinc/27/91/84/907279184.db2.gz KPNCLXJVMKINJN-UHFFFAOYSA-N 0 0 377.286 3.896 10 0 GHAERN CCOc1ccc(Br)cc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183079794 907323415 /nfs/dbraw/zinc/32/34/15/907323415.db2.gz KBIBSVWCDAPVMC-ZDUSSCGKSA-N 0 0 394.273 3.725 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)cs1 ZINC000187125620 908042958 /nfs/dbraw/zinc/04/29/58/908042958.db2.gz JACIMTINMDPOEG-HNNXBMFYSA-N 0 0 390.896 3.612 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccccc2CN2CCOCC2)cs1 ZINC000188660339 908237062 /nfs/dbraw/zinc/23/70/62/908237062.db2.gz ACOOIXXOJSJPPS-IBGZPJMESA-N 0 0 386.521 3.653 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2sc3ccc(F)cc3c2C)C1 ZINC000189110114 908285384 /nfs/dbraw/zinc/28/53/84/908285384.db2.gz HRKPLMMBHFJTRV-GXTWGEPZSA-N 0 0 375.425 3.642 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(Sc3ccccc3)CCCC2)C1 ZINC000190053921 908414822 /nfs/dbraw/zinc/41/48/22/908414822.db2.gz MLIOBTCNHKKROU-NVXWUHKLSA-N 0 0 387.505 3.772 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Cc2cc3c(ccc4ccccc34)o2)C1 ZINC000190069012 908419121 /nfs/dbraw/zinc/41/91/21/908419121.db2.gz IPMVSWGPHSWAEJ-LPHOPBHVSA-N 0 0 391.427 3.809 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccccc2OC2CCCC2)C1 ZINC000190120800 908431132 /nfs/dbraw/zinc/43/11/32/908431132.db2.gz CURDTUUCHBQTIM-WBVHZDCISA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Br)c(Cl)s2)C1 ZINC000191546119 908640244 /nfs/dbraw/zinc/64/02/44/908640244.db2.gz LEWYCKPRNHBTFH-KCJUWKMLSA-N 0 0 392.706 3.817 10 0 GHAERN CCCC(=O)N1CCC[C@H](C(=O)O[C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000103809593 911080502 /nfs/dbraw/zinc/08/05/02/911080502.db2.gz XTZFRJNTYTZIMA-UWJYYQICSA-N 0 0 384.451 3.892 10 0 GHAERN O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000368398826 922649153 /nfs/dbraw/zinc/64/91/53/922649153.db2.gz FYGBMXIKNBDDKU-MRXNPFEDSA-N 0 0 375.476 3.705 10 0 GHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184028906 1014571100 /nfs/dbraw/zinc/57/11/00/1014571100.db2.gz RZLWTICFVFWICX-LEWJYISDSA-N 0 0 398.482 3.807 10 0 GHAERN CCc1nnc(NC(=O)CSc2nc(C)nc3c2[C@@H](CC)[C@H](C)S3)s1 ZINC000215967122 222574823 /nfs/dbraw/zinc/57/48/23/222574823.db2.gz FBGRYXJEDFBDDW-WPRPVWTQSA-N 0 0 395.579 3.918 10 0 GHAERN COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2c(OC)c1OC)COC3=O ZINC000001859389 291133264 /nfs/dbraw/zinc/13/32/64/291133264.db2.gz GVORHOLLLQETHK-UHFFFAOYSA-N 0 0 394.379 3.932 10 0 biogenic,in-vitro GHAERN Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1 ZINC000001381609 212241926 /nfs/dbraw/zinc/24/19/26/212241926.db2.gz FBJOCXIPDFEVNV-UHFFFAOYSA-N 0 0 398.513 3.507 10 0 GHAERN CC(=O)c1ccc(S(=O)(=O)N(c2ccccc2C)C2=NCCCS2)cc1 ZINC000001327876 212235780 /nfs/dbraw/zinc/23/57/80/212235780.db2.gz LDLURCAHQFXEQO-UHFFFAOYSA-N 0 0 388.514 3.886 10 0 GHAERN CCOC(=O)COc1ccc(/C=C2/SC(c3ccc(C)cc3)=NC2=O)cc1 ZINC000001060127 212210908 /nfs/dbraw/zinc/21/09/08/212210908.db2.gz OTAQWQRIJDKLEF-LDADJPATSA-N 0 0 381.453 3.998 10 0 GHAERN NC(=O)c1cccc(-c2ccnc3[nH]cc(C(=O)c4cc(F)ccc4F)c32)c1 ZINC000090557959 212152274 /nfs/dbraw/zinc/15/22/74/212152274.db2.gz HZYZFMYAQKAGIZ-UHFFFAOYSA-N 0 0 377.350 3.838 10 0 GHAERN Nc1nc(N)c2cc(CN(C=O)c3ccc4cc(Cl)ccc4c3)ccc2n1 ZINC000001565348 212144875 /nfs/dbraw/zinc/14/48/75/212144875.db2.gz BJJHXYFBMCWSPM-UHFFFAOYSA-N 0 0 377.835 3.764 10 0 GHAERN O=c1ccc(-c2c3ccccn3nc2-c2ccccc2)nn1[C@H]1CCCCC1=O ZINC000000601052 212142060 /nfs/dbraw/zinc/14/20/60/212142060.db2.gz BBYOAANJEGZXDC-SFHVURJKSA-N 0 0 384.439 3.909 10 0 GHAERN CCSCn1c(Nc2ccc(C)cc2)nnc(COc2ccccc2)c1=O ZINC000334163185 212108027 /nfs/dbraw/zinc/10/80/27/212108027.db2.gz WDELSQDWRARDJK-UHFFFAOYSA-N 0 0 382.489 3.980 10 0 GHAERN OC1CCC(N2C=Nc3c(Br)cc(Br)cc3C2)CC1 ZINC000334160307 212108429 /nfs/dbraw/zinc/10/84/29/212108429.db2.gz ARMLBUAMNBQDHJ-UHFFFAOYSA-N 0 0 388.103 3.991 10 0 GHAERN CCOc1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(CC)cc1 ZINC000005033767 220816356 /nfs/dbraw/zinc/81/63/56/220816356.db2.gz LKEVGLHQBBXXOS-AWEZNQCLSA-N 0 0 397.504 3.743 10 0 GHAERN CCOC(=O)C(CC(=O)c1cccc2c1CCc1ccccc1-2)C(=O)OCC ZINC000005325059 220856996 /nfs/dbraw/zinc/85/69/96/220856996.db2.gz QIODMYXGSOVRLQ-UHFFFAOYSA-N 0 0 380.440 3.767 10 0 GHAERN CCOc1c(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc(Br)cc1OC ZINC000010475224 221104397 /nfs/dbraw/zinc/10/43/97/221104397.db2.gz UZSICJPFTBZTIX-UHFFFAOYSA-N 0 0 394.265 3.844 10 0 GHAERN COc1cccc(-c2cc(-c3cc(OC)ccc3OC)c3c(N)ncnc3n2)c1 ZINC000009694614 221090531 /nfs/dbraw/zinc/09/05/31/221090531.db2.gz ZKOGTEBQSNSXSE-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN COc1ccc(OC)c(NC(=O)N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 ZINC000011873317 221133195 /nfs/dbraw/zinc/13/31/95/221133195.db2.gz LXBKYMQVUGHELZ-HNNXBMFYSA-N 0 0 398.459 3.839 10 0 GHAERN CC(C)[C@H](O)c1ccc2c(c1)CN(C(=O)c1ccccc1-n1cccn1)CCO2 ZINC000012048655 221145249 /nfs/dbraw/zinc/14/52/49/221145249.db2.gz MERRULUFLWCOIV-QFIPXVFZSA-N 0 0 391.471 3.597 10 0 GHAERN Cc1cc2cc(CNC(=O)[C@H]3CCC(=O)N(CC4CCCCC4)C3)ccc2[nH]1 ZINC000012717565 221220758 /nfs/dbraw/zinc/22/07/58/221220758.db2.gz VMUMGQLHBIEVNN-IBGZPJMESA-N 0 0 381.520 3.911 10 0 GHAERN Cc1ncccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 ZINC000013812814 221291088 /nfs/dbraw/zinc/29/10/88/221291088.db2.gz MWWZLHGYBXZQLA-UHFFFAOYSA-N 0 0 381.379 3.665 10 0 GHAERN Cc1c2cc(C)cc(CNC(=O)C[C@@H]3CCC(=O)N3)c2[nH]c1-c1ccccc1 ZINC000014974582 221323286 /nfs/dbraw/zinc/32/32/86/221323286.db2.gz ALQKITJCENUGFJ-SFHVURJKSA-N 0 0 375.472 3.737 10 0 GHAERN COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@@H](C(=O)OC)c1ccccc1 ZINC000503990674 533370245 /nfs/dbraw/zinc/37/02/45/533370245.db2.gz OMTBLFCKFVDJFM-PWRODBHTSA-N 0 0 381.472 3.712 10 0 GHAERN O=C(c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)N1CCCc2ccccc21 ZINC000100812417 136189313 /nfs/dbraw/zinc/18/93/13/136189313.db2.gz IAMCJURGBBJNLV-WOJBJXKFSA-N 0 0 386.451 3.735 10 0 GHAERN CC(=O)O[C@@H](C(=O)N1CCC(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022624888 221565950 /nfs/dbraw/zinc/56/59/50/221565950.db2.gz RTVKGPGGBTUBBS-JOCHJYFZSA-N 0 0 395.455 3.501 10 0 GHAERN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)ccc21 ZINC000065026849 222094677 /nfs/dbraw/zinc/09/46/77/222094677.db2.gz TUMPAPGXRYLSCJ-FQEVSTJZSA-N 0 0 378.472 3.562 10 0 GHAERN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc2c(c1)OCCO2 ZINC000064438561 222070575 /nfs/dbraw/zinc/07/05/75/222070575.db2.gz NTFMZBJVDIEDQF-UHFFFAOYSA-N 0 0 379.416 3.938 10 0 GHAERN O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)s1 ZINC000064892423 222086897 /nfs/dbraw/zinc/08/68/97/222086897.db2.gz ZIULPQMYKHHXPF-UHFFFAOYSA-N 0 0 382.482 3.704 10 0 GHAERN CS(=O)(=O)c1ccc(CN2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065403499 222127467 /nfs/dbraw/zinc/12/74/67/222127467.db2.gz IRAFCDYBBAJILE-FQEVSTJZSA-N 0 0 393.512 3.537 10 0 GHAERN CC(=O)c1nc2cccnc2n1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082730 222328477 /nfs/dbraw/zinc/32/84/77/222328477.db2.gz QUFJBIGQTVQIEP-QGZVFWFLSA-N 0 0 378.432 3.608 10 0 GHAERN CC(C)(C)OC(=O)NCC1CCN(Cc2cnc(Cl)nc2Cl)CC1 ZINC000095087912 222330376 /nfs/dbraw/zinc/33/03/76/222330376.db2.gz MYQMKUZCMNYMCC-UHFFFAOYSA-N 0 0 375.300 3.520 10 0 GHAERN CN(C(=O)OC(C)(C)C)[C@@H](C[C@H]1CCCOC1)NC(=O)OCc1ccccc1 ZINC000095912909 222361149 /nfs/dbraw/zinc/36/11/49/222361149.db2.gz FVDZZYVEJZKLNE-MSOLQXFVSA-N 0 0 392.496 3.923 10 0 GHAERN O=C1[C@@H]2C[C@@H](CN2Cc2ccccn2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111787 222382202 /nfs/dbraw/zinc/38/22/02/222382202.db2.gz NEKVRZOBUHKGTI-UNMCSNQZSA-N 0 0 385.467 3.650 10 0 biogenic GHAERN CCOc1nc2ccccc2nc1N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000095091799 535572317 /nfs/dbraw/zinc/57/23/17/535572317.db2.gz RQILZLKBWMUYIL-HNNXBMFYSA-N 0 0 386.496 3.912 10 0 GHAERN CC[C@H](C)NC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000034708715 570302632 /nfs/dbraw/zinc/30/26/32/570302632.db2.gz BVRKMJKFGFKCKD-DZFGPLHGSA-N 0 0 394.515 3.856 10 0 GHAERN CCCNC(=O)NC[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1 ZINC000034857333 570341828 /nfs/dbraw/zinc/34/18/28/570341828.db2.gz PSGVWKRCNMBKJX-FQEVSTJZSA-N 0 0 397.519 3.512 10 0 GHAERN CCN(C[C@H]1CCCCO1)C(=O)c1cc(-c2cncnc2)nc2ccccc21 ZINC000023478866 570363626 /nfs/dbraw/zinc/36/36/26/570363626.db2.gz ZBDUJZUQWUYEGU-QGZVFWFLSA-N 0 0 376.460 3.723 10 0 GHAERN CC(C)Sc1nn2c(nc(CSc3nc4ccccc4[nH]3)cc2=O)s1 ZINC000006738846 570381694 /nfs/dbraw/zinc/38/16/94/570381694.db2.gz VRTQAHMJFLPJBD-UHFFFAOYSA-N 0 0 389.531 3.820 10 0 GHAERN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)NCC1CC1 ZINC000036052368 570523106 /nfs/dbraw/zinc/52/31/06/570523106.db2.gz JSQHTNBLUGQDSV-LEWJYISDSA-N 0 0 380.463 3.516 10 0 GHAERN COc1cccc([C@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060382 570525027 /nfs/dbraw/zinc/52/50/27/570525027.db2.gz VQDVNEWLHHALHS-YADHBBJMSA-N 0 0 394.515 3.552 10 0 GHAERN COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CC[C@H](C)C[C@@H]23)cc1OC ZINC000006738620 570560322 /nfs/dbraw/zinc/56/03/22/570560322.db2.gz CUYNIOKCFPJHJQ-DHUIEDIVSA-N 0 0 394.471 3.680 10 0 GHAERN CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc21 ZINC000006779498 570586471 /nfs/dbraw/zinc/58/64/71/570586471.db2.gz VQHIRZQTZBABQG-CQSZACIVSA-N 0 0 390.530 3.951 10 0 GHAERN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(-n4cccc4)s3)C2)cc1 ZINC000006805988 570606495 /nfs/dbraw/zinc/60/64/95/570606495.db2.gz BLOJIOOKESLJQO-OAHLLOKOSA-N 0 0 397.504 3.583 10 0 GHAERN CC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000169793547 570701887 /nfs/dbraw/zinc/70/18/87/570701887.db2.gz BVRKMJKFGFKCKD-IOMROCGXSA-N 0 0 394.515 3.856 10 0 GHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000044416198 570879140 /nfs/dbraw/zinc/87/91/40/570879140.db2.gz MYOHYPGQYZVOMJ-OGHNNQOOSA-N 0 0 381.303 3.714 10 0 GHAERN Cc1cccc(-c2noc(C[S@](=O)CC(=O)N(c3ccccc3)C(C)C)n2)c1 ZINC000105689729 837582147 /nfs/dbraw/zinc/58/21/47/837582147.db2.gz AWFDWGFCEPIEMN-MUUNZHRXSA-N 0 0 397.500 3.735 10 0 GHAERN COc1cccc(C2(C(=O)N3CCC[C@@H](Cn4nc(C)nc4C)C3)CCCC2)c1 ZINC000116775471 834450827 /nfs/dbraw/zinc/45/08/27/834450827.db2.gz PAWPPJJQDJBVHO-LJQANCHMSA-N 0 0 396.535 3.654 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000156621998 834476569 /nfs/dbraw/zinc/47/65/69/834476569.db2.gz ZWTMAYNKWHADIX-LOQUGQBGSA-N 0 0 378.472 3.701 10 0 GHAERN Cc1ccccc1-n1cnnc1S(=O)(=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000156875036 834614346 /nfs/dbraw/zinc/61/43/46/834614346.db2.gz JBAOFQFBYWIQIX-OAHLLOKOSA-N 0 0 394.456 3.766 10 0 GHAERN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCc4cncnc4C3)c12 ZINC000329257096 834647058 /nfs/dbraw/zinc/64/70/58/834647058.db2.gz XYZKADDQBAHRHR-UHFFFAOYSA-N 0 0 392.507 3.607 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 ZINC000157171578 834784244 /nfs/dbraw/zinc/78/42/44/834784244.db2.gz PQVZSMBUQXETME-UHFFFAOYSA-N 0 0 395.276 3.808 10 0 GHAERN C[C@H](NC(=O)/C=C\c1ccnc(Cl)c1)C1CCN(CC(F)(F)F)CC1 ZINC000588612766 834875188 /nfs/dbraw/zinc/87/51/88/834875188.db2.gz XGYFPVQRCAHNDY-DLGQBQFBSA-N 0 0 375.822 3.527 10 0 GHAERN O=C1[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000329391759 834959109 /nfs/dbraw/zinc/95/91/09/834959109.db2.gz VNJPTJJFDOISCC-BMFZPTHFSA-N 0 0 390.867 3.597 10 0 GHAERN O=C([C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)N1CCCC[C@H]1c1nccs1 ZINC000329473016 835101534 /nfs/dbraw/zinc/10/15/34/835101534.db2.gz SLEORBRHNCSFSV-LRDDRELGSA-N 0 0 391.443 3.528 10 0 GHAERN Cc1ccc(N2CCC(NC(=O)CSc3ccc(F)c(F)c3)CC2)nc1 ZINC000157867381 835130491 /nfs/dbraw/zinc/13/04/91/835130491.db2.gz GDARFKYIHLVDMO-UHFFFAOYSA-N 0 0 377.460 3.546 10 0 GHAERN O=C(NCc1nnc(-c2ccccc2)s1)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000158337586 835332578 /nfs/dbraw/zinc/33/25/78/835332578.db2.gz FWYNKVCSZMYGRI-PKOBYXMFSA-N 0 0 379.485 3.989 10 0 GHAERN O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000158467324 835385582 /nfs/dbraw/zinc/38/55/82/835385582.db2.gz RXSZQENGIXLJQQ-KRWDZBQOSA-N 0 0 386.839 3.783 10 0 GHAERN O=S(=O)(c1sccc1Br)N1CCC[C@@H](O)c2ccccc21 ZINC000168558624 835430875 /nfs/dbraw/zinc/43/08/75/835430875.db2.gz BCVNMDMOGOUBIO-CYBMUJFWSA-N 0 0 388.308 3.533 10 0 GHAERN C[C@@H]1CCc2c(sc3nc(CN4CC[C@@]5(O)CCCC[C@@H]5C4)nc(N)c23)C1 ZINC000245542271 844080465 /nfs/dbraw/zinc/08/04/65/844080465.db2.gz RESGSHDMCVBQNQ-LKBUQDJMSA-N 0 0 386.565 3.525 10 0 GHAERN O=C(Nc1ccccc1OCCn1ccnc1)N1CCC[C@@H](c2nccs2)C1 ZINC000159213476 835764081 /nfs/dbraw/zinc/76/40/81/835764081.db2.gz FKZXARBVZMLVEP-MRXNPFEDSA-N 0 0 397.504 3.830 10 0 GHAERN Cc1csc([C@@H]2CCCN(C(=O)CSc3nccn3C(C)(C)C)C2)n1 ZINC000329729939 835797365 /nfs/dbraw/zinc/79/73/65/835797365.db2.gz HTLZYHOEYBLYOV-CQSZACIVSA-N 0 0 378.567 3.901 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000246166380 835972011 /nfs/dbraw/zinc/97/20/11/835972011.db2.gz BRHSHHWGXPZFRS-HZSPNIEDSA-N 0 0 393.318 3.943 10 0 GHAERN O=C(C(=O)N1CCCC[C@H]1c1nccs1)N1CC2(CCC2)c2c1cccc2F ZINC000408412446 844166275 /nfs/dbraw/zinc/16/62/75/844166275.db2.gz QBYINHUHIMUSGF-INIZCTEOSA-N 0 0 399.491 3.804 10 0 GHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)c2ccccc21 ZINC000246455634 844167176 /nfs/dbraw/zinc/16/71/76/844167176.db2.gz DCDKDNVHBINLPY-FUHIMQAGSA-N 0 0 379.508 3.725 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000332715649 836478187 /nfs/dbraw/zinc/47/81/87/836478187.db2.gz HCPUUDRIJASKOE-RTWAWAEBSA-N 0 0 389.499 3.697 10 0 GHAERN Cn1ccnc1[C@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332756080 836557238 /nfs/dbraw/zinc/55/72/38/836557238.db2.gz BMBRXYRIGDKLIG-WMZOPIPTSA-N 0 0 380.492 3.756 10 0 GHAERN CCc1csc([C@@H]2CCCN(C(=O)c3cnc(-c4cnn(C)c4)s3)C2)n1 ZINC000113203157 836608203 /nfs/dbraw/zinc/60/82/03/836608203.db2.gz VPEAKOGTCNJLHH-GFCCVEGCSA-N 0 0 387.534 3.582 10 0 GHAERN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C[C@@H](c2ccccc2)O1 ZINC000332807453 836669336 /nfs/dbraw/zinc/66/93/36/836669336.db2.gz DWSKFINURXCBCD-NEWSRXKRSA-N 0 0 396.535 3.667 10 0 GHAERN CCCN(C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)[C@H]1CCc2ccccc21 ZINC000332856228 836777012 /nfs/dbraw/zinc/77/70/12/836777012.db2.gz HDLBPOHEQDUVBE-HKUYNNGSSA-N 0 0 381.524 3.825 10 0 GHAERN CC(C)n1ncc2cc(C=CC(=O)N3CCC4(CCCCC4)CC3)c(=O)[nH]c21 ZINC000102379524 836878013 /nfs/dbraw/zinc/87/80/13/836878013.db2.gz GBFZIEQVNJSWCX-VOTSOKGWSA-N 0 0 382.508 3.892 10 0 GHAERN CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@H]2CC[C@H](C)c3ccccc32)no1 ZINC000332903776 836964320 /nfs/dbraw/zinc/96/43/20/836964320.db2.gz ZDKZLVQUCQGSIU-WBAXXEDZSA-N 0 0 384.480 3.915 10 0 GHAERN CNC(=O)c1ccc(NC(=O)N2CCC(Cc3ccccc3OC)CC2)cc1 ZINC000102526010 837056975 /nfs/dbraw/zinc/05/69/75/837056975.db2.gz LXRPRZIUVIKWBL-UHFFFAOYSA-N 0 0 381.476 3.541 10 0 GHAERN CC(C)c1nnc([C@H]2CN(C(=O)c3csc4c3CC[C@@H](C)C4)CCO2)o1 ZINC000275483567 837117194 /nfs/dbraw/zinc/11/71/94/837117194.db2.gz VSMAKBYRDSGSSZ-IUODEOHRSA-N 0 0 375.494 3.593 10 0 GHAERN O=C(NCc1cnn(Cc2ccccc2)c1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103180172 837273108 /nfs/dbraw/zinc/27/31/08/837273108.db2.gz ZEUPFYIIEIKWQM-HSZRJFAPSA-N 0 0 397.482 3.915 10 0 GHAERN Cc1cccc(NC(=O)C[S@](=O)Cc2coc(-c3ccc(F)c(F)c3)n2)c1 ZINC000103224522 837277449 /nfs/dbraw/zinc/27/74/49/837277449.db2.gz XVFLAGJPQAHABD-MHZLTWQESA-N 0 0 390.411 3.816 10 0 GHAERN COc1cc(Br)cc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000408047323 837888507 /nfs/dbraw/zinc/88/85/07/837888507.db2.gz GGMGFBFZPYAECQ-SJCJKPOMSA-N 0 0 383.286 3.617 10 0 GHAERN COCCCOc1cccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000177141754 837931875 /nfs/dbraw/zinc/93/18/75/837931875.db2.gz RAKNAXCYJZKMSJ-HNNXBMFYSA-N 0 0 375.494 3.970 10 0 GHAERN CC(=O)N(C[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F)C1CC1 ZINC000333208085 844280313 /nfs/dbraw/zinc/28/03/13/844280313.db2.gz AZTGMNRCZNEFPF-BHYGNILZSA-N 0 0 389.462 3.540 10 0 GHAERN O=S(=O)(c1ccc(Br)s1)N1CCC[C@H](c2nccs2)C1 ZINC000114742020 838292580 /nfs/dbraw/zinc/29/25/80/838292580.db2.gz LFBFYUQQHGZWPE-VIFPVBQESA-N 0 0 393.353 3.535 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N[C@@H]3CCC(=O)NC34CCC4)sc2C1 ZINC000407986198 838400791 /nfs/dbraw/zinc/40/07/91/838400791.db2.gz SCJLRXFTYUXYID-IUODEOHRSA-N 0 0 390.553 3.617 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000407998116 838491309 /nfs/dbraw/zinc/49/13/09/838491309.db2.gz MBXVUJQPDHMXLM-UHFFFAOYSA-N 0 0 389.462 3.542 10 0 GHAERN CC[C@@H](c1nnc(NC(=O)N2CCC(n3cncn3)CC2)s1)c1ccccc1 ZINC000106952739 838659750 /nfs/dbraw/zinc/65/97/50/838659750.db2.gz CPVMEJPYZZNKID-MRXNPFEDSA-N 0 0 397.508 3.541 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000181172793 838734560 /nfs/dbraw/zinc/73/45/60/838734560.db2.gz SVTGMCIWISDCTC-MGPQQGTHSA-N 0 0 380.370 3.561 10 0 GHAERN O=C(NC[C@@H]1CCc2ccccc21)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000171883345 838948745 /nfs/dbraw/zinc/94/87/45/838948745.db2.gz JSHZPNCPZJNYKM-IBGZPJMESA-N 0 0 380.463 3.524 10 0 GHAERN O=C(C=Cc1ccc2ccc(Cl)cc2n1)N[C@H]1COc2ccccc2C1=O ZINC000588384847 839960748 /nfs/dbraw/zinc/96/07/48/839960748.db2.gz PIJCPCXQLWSEJC-LPADLIQXSA-N 0 0 378.815 3.662 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1csc(-c2ccccc2)n1 ZINC000010894128 840233733 /nfs/dbraw/zinc/23/37/33/840233733.db2.gz YAVHITWCAQYESO-KRWDZBQOSA-N 0 0 395.509 3.929 10 0 GHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000106031870 840583763 /nfs/dbraw/zinc/58/37/63/840583763.db2.gz XPGUIGUURYESOZ-UHFFFAOYSA-N 0 0 388.471 3.586 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000106207721 840759893 /nfs/dbraw/zinc/75/98/93/840759893.db2.gz HMRPLUZIQJRENF-IEBWSBKVSA-N 0 0 397.523 3.527 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000332838866 844588589 /nfs/dbraw/zinc/58/85/89/844588589.db2.gz AWUIVINCWIDQEE-IACUBPJLSA-N 0 0 378.826 3.862 10 0 GHAERN Cc1csc([C@H]2CCCN(S(=O)(=O)c3c(Cl)ccc(F)c3F)C2)n1 ZINC000408115398 840960764 /nfs/dbraw/zinc/96/07/64/840960764.db2.gz NHFGRFOQXSBCGH-JTQLQIEISA-N 0 0 392.880 3.951 10 0 GHAERN CC(=O)N1CCCc2cc(NC(=O)[C@@H]3C[C@]34CCOc3ccccc34)ccc21 ZINC000277062458 844597319 /nfs/dbraw/zinc/59/73/19/844597319.db2.gz BXFKIEXYZRCSNZ-CVDCTZTESA-N 0 0 376.456 3.665 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc2)c(C)c1Cl ZINC000119371526 841055228 /nfs/dbraw/zinc/05/52/28/841055228.db2.gz HKSHMMVIUZTECD-LAUBAEHRSA-N 0 0 387.911 3.910 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000408149357 841176113 /nfs/dbraw/zinc/17/61/13/841176113.db2.gz LDKFBJYGBMYTNA-NRXISQOPSA-N 0 0 399.461 3.972 10 0 GHAERN Cc1csc([C@H]2CCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)n1 ZINC000328775402 841326435 /nfs/dbraw/zinc/32/64/35/841326435.db2.gz SIPVWMHXMSUPIQ-CQSZACIVSA-N 0 0 384.461 3.957 10 0 GHAERN Cc1cc(N2C(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3C2=O)nn1-c1ccccc1Cl ZINC000329260552 861216909 /nfs/dbraw/zinc/21/69/09/861216909.db2.gz DSQSBLWIKKBEEG-UNEWFSDZSA-N 0 0 384.867 3.934 10 0 GHAERN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000408186973 842040778 /nfs/dbraw/zinc/04/07/78/842040778.db2.gz KDOUHMCZYIKYNC-UAKXVISKSA-N 0 0 383.300 3.960 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(-n2ccnc2)c1 ZINC000246566381 842051503 /nfs/dbraw/zinc/05/15/03/842051503.db2.gz LUMAQJNZZBIMIZ-OBZTUIKSSA-N 0 0 380.492 3.580 10 0 GHAERN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408190574 842170919 /nfs/dbraw/zinc/17/09/19/842170919.db2.gz AMLNFUIZZJNCTQ-MDNKFWRPSA-N 0 0 391.943 3.644 10 0 GHAERN O=C(/C=C\c1ccc2ccc(Cl)cc2n1)N1CCOCC2(CCOCC2)C1 ZINC000588428361 842230167 /nfs/dbraw/zinc/23/01/67/842230167.db2.gz XCXZRQHZWVQIJP-WAYWQWQTSA-N 0 0 386.879 3.557 10 0 GHAERN CC(C)c1nc([C@H]2CCCN([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330243 861293378 /nfs/dbraw/zinc/29/33/78/861293378.db2.gz LPAYOEUXIXVPSJ-YJBOKZPZSA-N 0 0 386.471 3.707 10 0 GHAERN COc1ccc2cccc(CC(=O)NC/C=C\CNC(=O)OC(C)(C)C)c2c1 ZINC000588434511 842500319 /nfs/dbraw/zinc/50/03/19/842500319.db2.gz MMPXKSFYDDFFGO-WAYWQWQTSA-N 0 0 384.476 3.588 10 0 GHAERN COc1ccc(/C=C(/C)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1F ZINC000588435988 842562197 /nfs/dbraw/zinc/56/21/97/842562197.db2.gz GOQVMYPHRMRQIN-BAAYTWLHSA-N 0 0 380.423 3.696 10 0 GHAERN O=C(/C=C\c1ccncn1)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000588436175 842563083 /nfs/dbraw/zinc/56/30/83/842563083.db2.gz CTXNIRVDBBUTFU-KHPPLWFESA-N 0 0 399.429 3.798 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)no1 ZINC000329373049 861340603 /nfs/dbraw/zinc/34/06/03/861340603.db2.gz KMZNEPZUQPFSDX-GXTWGEPZSA-N 0 0 392.868 3.848 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1C(=O)c1csc([C@@H]3CCCO3)n1)CCCC2 ZINC000279202612 842703654 /nfs/dbraw/zinc/70/36/54/842703654.db2.gz MVZDENXTXIYNFL-SJORKVTESA-N 0 0 386.521 3.584 10 0 GHAERN C[C@@H]1N(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CCC12CCOCC2 ZINC000408209060 842841499 /nfs/dbraw/zinc/84/14/99/842841499.db2.gz BHLZKGTVNDANFF-NSHDSACASA-N 0 0 395.855 3.521 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1Br ZINC000408210304 842855319 /nfs/dbraw/zinc/85/53/19/842855319.db2.gz ZSLMXCWQQGCRIE-BRWVUGGUSA-N 0 0 395.341 3.983 10 0 GHAERN Cc1cccc(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1Br ZINC000408210301 842855967 /nfs/dbraw/zinc/85/59/67/842855967.db2.gz ZSLMXCWQQGCRIE-BBWFWOEESA-N 0 0 395.341 3.983 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)n1 ZINC000408368706 842899036 /nfs/dbraw/zinc/89/90/36/842899036.db2.gz MFUXIFZHNRSDGA-GUYCJALGSA-N 0 0 384.505 3.596 10 0 GHAERN O=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CCC12CCC2 ZINC000408369576 842908890 /nfs/dbraw/zinc/90/88/90/842908890.db2.gz ZEEARHHALZBNPN-UHFFFAOYSA-N 0 0 382.551 3.518 10 0 GHAERN COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000328945195 843060278 /nfs/dbraw/zinc/06/02/78/843060278.db2.gz JNCDLAUGTOFGTR-SJLPKXTDSA-N 0 0 383.492 3.678 10 0 GHAERN Cc1nnc([C@H](NC(=O)CSc2nccc3ccccc32)c2ccccc2)[nH]1 ZINC000162055726 843194406 /nfs/dbraw/zinc/19/44/06/843194406.db2.gz RZYWNCRNXHUILP-LJQANCHMSA-N 0 0 389.484 3.659 10 0 GHAERN Cc1nc([C@H](NC2CCC3(CC2)c2ccccc2NC3=O)c2ccccc2)n[nH]1 ZINC000162624618 843278116 /nfs/dbraw/zinc/27/81/16/843278116.db2.gz MATSGAJISAFKGX-WEQDKIBNSA-N 0 0 387.487 3.625 10 0 GHAERN Cc1nc([C@@H](NC2CCC3(CC2)c2ccccc2NC3=O)c2ccccc2)n[nH]1 ZINC000162624760 843278695 /nfs/dbraw/zinc/27/86/95/843278695.db2.gz MATSGAJISAFKGX-GTPZEUEISA-N 0 0 387.487 3.625 10 0 GHAERN O=C(NCc1ccc(F)c(Cl)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112390538 843349043 /nfs/dbraw/zinc/34/90/43/843349043.db2.gz YNACHDMJEFTPSD-UHFFFAOYSA-N 0 0 395.887 3.598 10 0 GHAERN CCOc1ccc2cc(C(=O)N3CCCN(C(=O)c4cccs4)CC3)[nH]c2c1 ZINC000112306845 843351260 /nfs/dbraw/zinc/35/12/60/843351260.db2.gz LCQSZPALBUGDNR-UHFFFAOYSA-N 0 0 397.500 3.616 10 0 GHAERN O=S(=O)(/C=C\c1ccc(Br)cc1)NCCC[C@@H]1CCCCO1 ZINC000588457070 843371930 /nfs/dbraw/zinc/37/19/30/843371930.db2.gz HZSMSZLINTUNGY-DDKJEQMHSA-N 0 0 388.327 3.689 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000123446055 843404174 /nfs/dbraw/zinc/40/41/74/843404174.db2.gz YYJCDJMXOJMVEK-FQEVSTJZSA-N 0 0 383.536 3.744 10 0 GHAERN O=C(c1cc2c(cccc2Br)[nH]1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000121764352 843484837 /nfs/dbraw/zinc/48/48/37/843484837.db2.gz LQTPXHWEMBNCSW-KZULUSFZSA-N 0 0 377.282 3.698 10 0 GHAERN Cc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1NC(=O)NC(C)(C)C ZINC000121781080 843486472 /nfs/dbraw/zinc/48/64/72/843486472.db2.gz QFEAAJILRSQLER-JTSKRJEESA-N 0 0 387.524 3.682 10 0 GHAERN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1 ZINC000330297377 843569220 /nfs/dbraw/zinc/56/92/20/843569220.db2.gz GVNYGJZSSOITGZ-UZLBHIALSA-N 0 0 384.501 3.810 10 0 GHAERN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408249029 843586415 /nfs/dbraw/zinc/58/64/15/843586415.db2.gz YFXQKDZPJNHPMX-LJQANCHMSA-N 0 0 389.908 3.514 10 0 GHAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3CCC[C@H]32)c1)c1ccccc1 ZINC000330300588 843604658 /nfs/dbraw/zinc/60/46/58/843604658.db2.gz IOBRMWUYDQDRDN-YRISNDGFSA-N 0 0 398.528 3.741 10 0 GHAERN Cc1cc(=O)c(C(=O)N2CC[C@H]3CCC[C@@H]32)nn1-c1cccc(C(F)(F)F)c1 ZINC000330308327 843647478 /nfs/dbraw/zinc/64/74/78/843647478.db2.gz MGKQFACRQZDKTC-CJNGLKHVSA-N 0 0 391.393 3.574 10 0 GHAERN O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330316470 843668067 /nfs/dbraw/zinc/66/80/67/843668067.db2.gz PYQQUPNDBUDGSH-GXTWGEPZSA-N 0 0 385.514 3.588 10 0 GHAERN O=C(/C=C\c1cnc2ccccc2n1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000588479757 844877691 /nfs/dbraw/zinc/87/76/91/844877691.db2.gz KTXSBRFXXDHYNX-GWQNQTGSSA-N 0 0 379.847 3.897 10 0 GHAERN CSc1ccc(O[C@H](C)C(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000151571218 845251813 /nfs/dbraw/zinc/25/18/13/845251813.db2.gz RDMRFOPRLVNJIE-ACJLOTCBSA-N 0 0 382.489 3.508 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3nnc(C(F)(F)F)s3)C2)cc1 ZINC000151639691 845370440 /nfs/dbraw/zinc/37/04/40/845370440.db2.gz URENOVWBZPXEHP-GXSJLCMTSA-N 0 0 386.399 3.975 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)c3csc(-c4ccc5c(c4)OCO5)n3)CCO2)o1 ZINC000151674780 845466391 /nfs/dbraw/zinc/46/63/91/845466391.db2.gz ZJXBOMJOLXYYTI-SFHVURJKSA-N 0 0 398.440 3.654 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)C1 ZINC000248984532 845486249 /nfs/dbraw/zinc/48/62/49/845486249.db2.gz UTKHHXHMCIAFGE-NORZTCDRSA-N 0 0 397.397 3.879 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cnn(CC(F)(F)F)c3)C2)cc1 ZINC000151889801 845954058 /nfs/dbraw/zinc/95/40/58/845954058.db2.gz LGZYEFCVIZLFJC-TZMCWYRMSA-N 0 0 382.386 3.864 10 0 GHAERN COc1ccc(N=c2scc(-c3c(C)noc3C)n2[C@H]2CCCOC2)cn1 ZINC000588497111 846153220 /nfs/dbraw/zinc/15/32/20/846153220.db2.gz OUXYGHUMUGMMBW-HNNXBMFYSA-N 0 0 386.477 3.809 10 0 GHAERN C[C@H](c1ncc(-c2ccccc2)o1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000152274201 846525124 /nfs/dbraw/zinc/52/51/24/846525124.db2.gz DQVYORRISSBTKJ-MRXNPFEDSA-N 0 0 393.491 3.871 10 0 GHAERN CN(C(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000152344995 846725999 /nfs/dbraw/zinc/72/59/99/846725999.db2.gz CECCWGPBFNEXCP-CRAIPNDOSA-N 0 0 387.553 3.936 10 0 GHAERN O=C(Nc1ccc(Br)c(C2CC2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333615559 847010813 /nfs/dbraw/zinc/01/08/13/847010813.db2.gz FNWHJMAAYFIXFT-UGSOOPFHSA-N 0 0 394.313 3.880 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c2ccccc21 ZINC000329610777 861772360 /nfs/dbraw/zinc/77/23/60/861772360.db2.gz JKUIOIIWSCSLKZ-WIYYLYMNSA-N 0 0 394.519 3.631 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)NCC1CCN(CC(F)(F)F)CC1 ZINC000588537635 848010213 /nfs/dbraw/zinc/01/02/13/848010213.db2.gz LWUVREVRKYUGTB-WAYWQWQTSA-N 0 0 377.410 3.639 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000588540150 848034851 /nfs/dbraw/zinc/03/48/51/848034851.db2.gz HXUAVKZKXNDXOP-KWICBIGISA-N 0 0 378.394 3.848 10 0 GHAERN Cc1c(C)n(C[C@H]2CCCO2)c2ncnc(NC(=O)/C=C\c3ncccc3C)c12 ZINC000588544958 848182505 /nfs/dbraw/zinc/18/25/05/848182505.db2.gz GKBZAVQRBIMKFN-XZVRFQMRSA-N 0 0 391.475 3.582 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccccc3N3C[C@@H](C)O[C@H](C)C3)CCO2)o1 ZINC000153569732 848679536 /nfs/dbraw/zinc/67/95/36/848679536.db2.gz NSVVTWFFLAJNRX-LZJOCLMNSA-N 0 0 399.491 3.807 10 0 GHAERN CCc1oc2ccccc2c1/C=C/C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000154804143 849373715 /nfs/dbraw/zinc/37/37/15/849373715.db2.gz CQANQSHYYMDADC-HYGBKTPJSA-N 0 0 393.487 3.714 10 0 GHAERN CCn1nccc1/C=C/C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000155154676 849464988 /nfs/dbraw/zinc/46/49/88/849464988.db2.gz FVOULDWGUUQECM-BTDICHCPSA-N 0 0 384.427 3.798 10 0 GHAERN C[C@@H](O)C[C@H](CNC(=O)N1CCC(Nc2ccccc2F)CC1)c1ccccc1 ZINC000155440805 849529481 /nfs/dbraw/zinc/52/94/81/849529481.db2.gz BHRALMYSDVYFAN-IEBWSBKVSA-N 0 0 399.510 3.966 10 0 GHAERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333659092 851400806 /nfs/dbraw/zinc/40/08/06/851400806.db2.gz WDDGHWQKIPUIRR-LUKYLMHMSA-N 0 0 376.463 3.938 10 0 GHAERN COc1cc(NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)ccc1N1CCCC1=O ZINC000333863938 851581309 /nfs/dbraw/zinc/58/13/09/851581309.db2.gz SHSCCIWIQHXAMR-XCLVFQIOSA-N 0 0 383.492 3.722 10 0 GHAERN Cc1noc(CCNC(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 ZINC000101613721 851753035 /nfs/dbraw/zinc/75/30/35/851753035.db2.gz XELWMTMXLBHQOA-UHFFFAOYSA-N 0 0 376.888 3.775 10 0 GHAERN CCOc1ccccc1[C@H](CC)NC(=O)NC1CCN(c2ccccn2)CC1 ZINC000101617137 851756161 /nfs/dbraw/zinc/75/61/61/851756161.db2.gz MTTXXXRBADMKHT-IBGZPJMESA-N 0 0 382.508 3.900 10 0 GHAERN Cc1ccc(I)c(C(=O)N(C)Cc2ccc(O)cc2)c1 ZINC000101642384 851775645 /nfs/dbraw/zinc/77/56/45/851775645.db2.gz RDUPZYUIDYUCHH-UHFFFAOYSA-N 0 0 381.213 3.577 10 0 GHAERN CC(=O)N(CCC(=O)Nc1nc(-c2ccccn2)cs1)Cc1ccccc1 ZINC000101808135 851924303 /nfs/dbraw/zinc/92/43/03/851924303.db2.gz SZMNNBSNFLHWLT-UHFFFAOYSA-N 0 0 380.473 3.582 10 0 GHAERN CCOc1cccc([C@H](C)NC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000102008654 852086716 /nfs/dbraw/zinc/08/67/16/852086716.db2.gz PSBUQBKJVIJGIC-SJORKVTESA-N 0 0 389.540 3.729 10 0 GHAERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@H]2CCO[C@H](c3cccs3)C2)n1 ZINC000334072900 853903777 /nfs/dbraw/zinc/90/37/77/853903777.db2.gz IDPDIUMPMCPXGZ-KKUMJFAQSA-N 0 0 376.482 3.596 10 0 GHAERN CCn1nccc1[C@@H]1OCC[C@H]1CNc1ncnc2sc3c(c21)CCCC3 ZINC000330052267 862535761 /nfs/dbraw/zinc/53/57/61/862535761.db2.gz OUUOAJUPPYKDSX-SCLBCKFNSA-N 0 0 383.521 3.976 10 0 GHAERN Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)[nH]1 ZINC000328744638 854525284 /nfs/dbraw/zinc/52/52/84/854525284.db2.gz OXEHTWUEQJJUNI-OAGGEKHMSA-N 0 0 389.297 3.733 10 0 GHAERN Cc1nnc2c3ccccc3c(N3CCC[C@H]3c3nc4c(n3C)CCCC4)nn12 ZINC000328846081 854573105 /nfs/dbraw/zinc/57/31/05/854573105.db2.gz XOKXFXNYTCHWSZ-IBGZPJMESA-N 0 0 387.491 3.540 10 0 GHAERN Cc1nc(C[C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3Cl)C2)no1 ZINC000328893511 854599637 /nfs/dbraw/zinc/59/96/37/854599637.db2.gz AGUYUXDLANWKPV-NSHDSACASA-N 0 0 376.819 3.747 10 0 GHAERN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000328985896 854641528 /nfs/dbraw/zinc/64/15/28/854641528.db2.gz UANZDYJZYATEKG-NDGTYSDOSA-N 0 0 378.398 3.538 10 0 GHAERN C[C@@H]1CCC[C@H](CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000330121317 862592896 /nfs/dbraw/zinc/59/28/96/862592896.db2.gz GVNWRLUBZVRDCN-MPWIWIEXSA-N 0 0 395.507 3.623 10 0 GHAERN O=[S@](Cc1csc(-c2cccs2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105666272 855130340 /nfs/dbraw/zinc/13/03/40/855130340.db2.gz UWBOPNKFYHUWIG-DEOSSOPVSA-N 0 0 377.472 3.964 10 0 GHAERN O=[S@@](Cc1coc(-c2ccc(F)c(F)c2)n1)Cc1nc(-c2ccoc2)no1 ZINC000105700180 855133874 /nfs/dbraw/zinc/13/38/74/855133874.db2.gz BPUXUOGODJAKCC-HHHXNRCGSA-N 0 0 391.355 3.712 10 0 GHAERN CC(C)c1cccc2c1CCN(C(=O)N[C@@H]1CCS(=O)(=O)c3ccccc31)C2 ZINC000189903861 855228151 /nfs/dbraw/zinc/22/81/51/855228151.db2.gz LHRHBXNOPCGTNH-HXUWFJFHSA-N 0 0 398.528 3.796 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000190024709 855407585 /nfs/dbraw/zinc/40/75/85/855407585.db2.gz NZRLRZOBIYTZCU-NVXWUHKLSA-N 0 0 395.484 3.807 10 0 GHAERN Cc1cccn2c(=O)c(C(=O)N[C@H]3CC4(CCCC4)Oc4ccccc43)cnc12 ZINC000180404184 855454212 /nfs/dbraw/zinc/45/42/12/855454212.db2.gz VQXBDOANETVJKE-SFHVURJKSA-N 0 0 389.455 3.569 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(OC3CCCCC3)cc2)C[C@H]1C ZINC000190456851 855466078 /nfs/dbraw/zinc/46/60/78/855466078.db2.gz AMYRAORZFSVKIU-OXQOHEQNSA-N 0 0 388.508 3.739 10 0 GHAERN COC(=O)[C@@H]1CCN(C(=O)NC[C@@H](C)c2c(Cl)cccc2Cl)C[C@H]1C ZINC000190471971 855466762 /nfs/dbraw/zinc/46/67/62/855466762.db2.gz KGFDEJHIRVNAPA-JHJVBQTASA-N 0 0 387.307 3.938 10 0 GHAERN COc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1Br ZINC000268916907 856285009 /nfs/dbraw/zinc/28/50/09/856285009.db2.gz OFQCSBYBPHCZDC-PXAZEXFGSA-N 0 0 383.286 3.617 10 0 GHAERN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000158735936 858073840 /nfs/dbraw/zinc/07/38/40/858073840.db2.gz XJVDRGNGZNNPJA-RTWAWAEBSA-N 0 0 397.563 3.603 10 0 GHAERN Cc1cccnc1CNC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113616962 858588064 /nfs/dbraw/zinc/58/80/64/858588064.db2.gz IGBSEJBZYNCLPZ-SFHVURJKSA-N 0 0 375.476 3.869 10 0 GHAERN CC(C)C[C@H]1CCCCN1C(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000132643195 858788895 /nfs/dbraw/zinc/78/88/95/858788895.db2.gz MMXWWZLRZILZSI-CTWPCTMYSA-N 0 0 395.613 3.731 10 0 GHAERN O=C(c1cc(Br)sc1Br)N1CCC[C@]12CCOC2 ZINC000367512731 858966632 /nfs/dbraw/zinc/96/66/32/858966632.db2.gz GCNBZZRZQWHSDP-GFCCVEGCSA-N 0 0 395.116 3.668 10 0 GHAERN Cc1sc2nc(SCC(=O)Nc3cc(F)cc(F)c3)n(C)c(=O)c2c1C ZINC000105351295 859819952 /nfs/dbraw/zinc/81/99/52/859819952.db2.gz JBQUYUYJDTVEAV-UHFFFAOYSA-N 0 0 395.456 3.621 10 0 GHAERN O=C(N[C@@H]1CCCn2ncnc21)N1CCC(c2cccc3ccccc32)CC1 ZINC000267766164 860408546 /nfs/dbraw/zinc/40/85/46/860408546.db2.gz RUBOXVKUXQGTKE-HXUWFJFHSA-N 0 0 375.476 3.855 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1)CC2 ZINC000172520340 860434065 /nfs/dbraw/zinc/43/40/65/860434065.db2.gz JMPAOSXAQCNSKE-FUHWJXTLSA-N 0 0 387.915 3.820 10 0 GHAERN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(F)cc1Cl ZINC000102928974 860904219 /nfs/dbraw/zinc/90/42/19/860904219.db2.gz BMBACACZLSNHGM-MRXNPFEDSA-N 0 0 376.815 3.983 10 0 GHAERN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cn1 ZINC000102940951 860911435 /nfs/dbraw/zinc/91/14/35/860911435.db2.gz NQJAZMDGUCTRHT-GOSISDBHSA-N 0 0 396.491 3.703 10 0 GHAERN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(c2ccc3ccc(Cl)c(Cl)c3n2)C1 ZINC000329006383 860942667 /nfs/dbraw/zinc/94/26/67/860942667.db2.gz XSZBDHXWHBWYME-YPMHNXCESA-N 0 0 378.263 3.935 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000329020978 860952328 /nfs/dbraw/zinc/95/23/28/860952328.db2.gz HWAGLQAPMUMJJZ-WWGRRREGSA-N 0 0 377.847 3.523 10 0 GHAERN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000329046600 860974895 /nfs/dbraw/zinc/97/48/95/860974895.db2.gz QBMNYFRDSBWCOS-ZOBUZTSGSA-N 0 0 393.409 3.749 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)CC2 ZINC000155494157 861016384 /nfs/dbraw/zinc/01/63/84/861016384.db2.gz QUGVNTYFRZCNES-KXBFYZLASA-N 0 0 381.524 3.656 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000329112164 861031534 /nfs/dbraw/zinc/03/15/34/861031534.db2.gz HAELTGSMCZSZDU-OQIJWPOYSA-N 0 0 377.529 3.594 10 0 GHAERN CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCO[C@H]2c2ccnn2C(C)C)C1(C)C ZINC000329112165 861031786 /nfs/dbraw/zinc/03/17/86/861031786.db2.gz HAELTGSMCZSZDU-QXCFHYIPSA-N 0 0 377.529 3.594 10 0 GHAERN COc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cccc(C=O)c1)c1ccccn1 ZINC000159910345 863142856 /nfs/dbraw/zinc/14/28/56/863142856.db2.gz LUOSWBYCSMGTSP-ZHRRBRCNSA-N 0 0 390.439 3.576 10 0 GHAERN Cc1ccc(C(C)(C)CNC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000103105642 863871121 /nfs/dbraw/zinc/87/11/21/863871121.db2.gz AKUQGWLDSONMFE-UHFFFAOYSA-N 0 0 379.909 3.516 10 0 GHAERN CC(C)[C@H](C)NC(=O)C1CCN(Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000103227555 863914682 /nfs/dbraw/zinc/91/46/82/863914682.db2.gz GITOEVPDBKOEBA-AWEZNQCLSA-N 0 0 391.462 3.993 10 0 GHAERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC000103273351 863937114 /nfs/dbraw/zinc/93/71/14/863937114.db2.gz PAWMBPJEJKWPBJ-DJJJIMSYSA-N 0 0 388.427 3.696 10 0 GHAERN Cc1ccc(C(C)(C)CNC(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000103316479 863956451 /nfs/dbraw/zinc/95/64/51/863956451.db2.gz PKXPQEXLZJZALC-GOSISDBHSA-N 0 0 387.568 3.855 10 0 GHAERN COc1ccccc1CCN(C)C(=O)NCc1ccc(OC)c(OC(F)F)c1 ZINC000103854299 864070271 /nfs/dbraw/zinc/07/02/71/864070271.db2.gz AWZNERHKKKGPQM-UHFFFAOYSA-N 0 0 394.418 3.689 10 0 GHAERN CC(C)Oc1cccc([C@H](C)NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 ZINC000103759337 864083947 /nfs/dbraw/zinc/08/39/47/864083947.db2.gz UJZPWIVQDSJAHZ-ZDUSSCGKSA-N 0 0 385.855 3.594 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N1CCCCC[C@@H]1c1ccncc1 ZINC000153753817 864105609 /nfs/dbraw/zinc/10/56/09/864105609.db2.gz IDOVCZIVUZIZIB-ZWKOTPCHSA-N 0 0 382.512 3.958 10 0 GHAERN C[C@H](NC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248408331 864832515 /nfs/dbraw/zinc/83/25/15/864832515.db2.gz CBOJHQYJXMFTGW-GZIXRCOHSA-N 0 0 382.501 3.510 10 0 GHAERN Cc1ccc(Cc2nnc(NC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)s2)cc1 ZINC000178392306 864886832 /nfs/dbraw/zinc/88/68/32/864886832.db2.gz HTJFANDXRKBNBG-JXFKEZNVSA-N 0 0 386.521 3.596 10 0 GHAERN O=C(NCc1cscn1)NCc1cc(Br)ccc1OC(F)F ZINC000102012802 866597572 /nfs/dbraw/zinc/59/75/72/866597572.db2.gz FILPGMUWSJVPOL-UHFFFAOYSA-N 0 0 392.225 3.506 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)CCO2)c1 ZINC000112107529 866716729 /nfs/dbraw/zinc/71/67/29/866716729.db2.gz OYPUPALWDAWVDM-YLJYHZDGSA-N 0 0 384.524 3.661 10 0 GHAERN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114741689 866770011 /nfs/dbraw/zinc/77/00/11/866770011.db2.gz KPKXTLIUSYSJGM-CYBMUJFWSA-N 0 0 390.452 3.871 10 0 GHAERN O=C(c1ccco1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000169844818 882030504 /nfs/dbraw/zinc/03/05/04/882030504.db2.gz ZXEXYOPPMWPWOL-UHFFFAOYSA-N 0 0 388.467 3.786 10 0 GHAERN Cc1nc(-c2cc3c(s2)CCN(C(=O)N[C@@H](C)[C@@H]2CCCO2)C3)cs1 ZINC000180297190 867062945 /nfs/dbraw/zinc/06/29/45/867062945.db2.gz HRNKAYYODBXZPU-NHYWBVRUSA-N 0 0 377.535 3.815 10 0 GHAERN COc1ccccc1[C@@H]1CCCN1C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000170837473 882059618 /nfs/dbraw/zinc/05/96/18/882059618.db2.gz FQAHESLASUWAMF-LPHOPBHVSA-N 0 0 379.460 3.668 10 0 GHAERN O=C(NCC[C@H]1C(=O)Nc2ccccc21)N(Cc1ccc(F)cc1F)C1CC1 ZINC000170884451 882063536 /nfs/dbraw/zinc/06/35/36/882063536.db2.gz YPTMPJVILAUQOT-QGZVFWFLSA-N 0 0 385.414 3.765 10 0 GHAERN Cc1cccc(NC(=O)CSCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000170891045 882067433 /nfs/dbraw/zinc/06/74/33/882067433.db2.gz JFDCKAVCPFZZJO-HNNXBMFYSA-N 0 0 389.546 3.529 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000171616217 882116966 /nfs/dbraw/zinc/11/69/66/882116966.db2.gz ZAVLLGOSDCATSP-IERDGZPVSA-N 0 0 377.488 3.771 10 0 GHAERN COc1ccc(-c2noc(CCC(=O)N3CCC[C@H](c4nccs4)C3)n2)cc1 ZINC000171643425 882120035 /nfs/dbraw/zinc/12/00/35/882120035.db2.gz DFXDTNFTGOWDBN-HNNXBMFYSA-N 0 0 398.488 3.541 10 0 GHAERN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCC[C@@H](c2nccs2)C1 ZINC000171647368 882121885 /nfs/dbraw/zinc/12/18/85/882121885.db2.gz GDRWCFVTQKYAAV-OAHLLOKOSA-N 0 0 391.924 3.713 10 0 GHAERN CCSc1ccc(Cl)cc1NC(=O)NCc1cccnc1-n1cncn1 ZINC000171558566 882141288 /nfs/dbraw/zinc/14/12/88/882141288.db2.gz RAJDSQFIESLPRM-UHFFFAOYSA-N 0 0 388.884 3.749 10 0 GHAERN O=C(N[C@H](c1ccccc1)C1CC1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000171849084 882164482 /nfs/dbraw/zinc/16/44/82/882164482.db2.gz JNQXKCSNVMCPBU-LJQANCHMSA-N 0 0 383.517 3.757 10 0 GHAERN CNC(=O)c1ccc(C)c(NC(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)c1 ZINC000172457184 882277668 /nfs/dbraw/zinc/27/76/68/882277668.db2.gz KFGPSBMFFXTRPD-CRAIPNDOSA-N 0 0 381.476 3.773 10 0 GHAERN O=C(Nc1cccc(COCc2ccco2)c1)N[C@@H]1Cc2ccccc2[C@@H]1O ZINC000172466309 882279080 /nfs/dbraw/zinc/27/90/80/882279080.db2.gz JTSXZTSPLKFCOB-RTWAWAEBSA-N 0 0 378.428 3.776 10 0 GHAERN COc1ccccc1C[C@@H]1CCCN1C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000172638316 882281174 /nfs/dbraw/zinc/28/11/74/882281174.db2.gz KWLBZVBVBWPHEW-RTWAWAEBSA-N 0 0 382.504 3.578 10 0 GHAERN O=C(NC[C@H](CCO)c1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000172639209 882281545 /nfs/dbraw/zinc/28/15/45/882281545.db2.gz NUHAOHHYWIOKMK-INIZCTEOSA-N 0 0 381.451 3.541 10 0 GHAERN O=C(NCc1nc(C(F)(F)F)cs1)N1CCC(Cc2ccccn2)CC1 ZINC000172630833 882281659 /nfs/dbraw/zinc/28/16/59/882281659.db2.gz XEEMVBNWAVMTTF-UHFFFAOYSA-N 0 0 384.427 3.721 10 0 GHAERN CC(C)c1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccccn3)CC2)cc1 ZINC000172685364 882284779 /nfs/dbraw/zinc/28/47/79/882284779.db2.gz XLGHRFOKHUQYAM-QGZVFWFLSA-N 0 0 379.504 3.935 10 0 GHAERN CSc1ccc(Cl)cc1NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000172476279 882287531 /nfs/dbraw/zinc/28/75/31/882287531.db2.gz JDLYAKFRCVGWSM-UHFFFAOYSA-N 0 0 394.928 3.662 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1cccs1 ZINC000172523426 882293041 /nfs/dbraw/zinc/29/30/41/882293041.db2.gz MPOSSBZIDHNLGH-HNNXBMFYSA-N 0 0 384.461 3.640 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N[C@H](c1ccccc1)c1cccnc1 ZINC000172621279 882299585 /nfs/dbraw/zinc/29/95/85/882299585.db2.gz VHKHRHJVXIDSBY-IFMALSPDSA-N 0 0 375.472 3.636 10 0 GHAERN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000114570565 869469486 /nfs/dbraw/zinc/46/94/86/869469486.db2.gz GOGLXUGSRPFOLZ-YFPIXMDGSA-N 0 0 396.491 3.982 10 0 GHAERN CC[C@@H](NC(=O)C1CCN(C(=O)c2ccccn2)CC1)c1cccc(Cl)c1 ZINC000172751265 882305533 /nfs/dbraw/zinc/30/55/33/882305533.db2.gz VHQSUHPKZDZXED-GOSISDBHSA-N 0 0 385.895 3.855 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC1CC1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000173163579 882337101 /nfs/dbraw/zinc/33/71/01/882337101.db2.gz OJHVYZMWFBPYPB-LJQANCHMSA-N 0 0 397.450 3.643 10 0 GHAERN CC(C)c1csc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000173948012 869834448 /nfs/dbraw/zinc/83/44/48/869834448.db2.gz FGIOLTQDWMRAAF-INIZCTEOSA-N 0 0 386.517 3.986 10 0 GHAERN CC(C)Cc1ccc([C@H](C)NC(=O)NC2CCC(S(C)(=O)=O)CC2)cc1 ZINC000173348150 882355021 /nfs/dbraw/zinc/35/50/21/882355021.db2.gz QYMPBWQMWNMDQZ-MNNVXMFVSA-N 0 0 380.554 3.601 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000173489607 882365059 /nfs/dbraw/zinc/36/50/59/882365059.db2.gz YTVPDQXYYSWJGQ-WMZHIEFXSA-N 0 0 394.540 3.717 10 0 GHAERN CC(=O)Nc1cccc(CNC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000173711911 882368385 /nfs/dbraw/zinc/36/83/85/882368385.db2.gz ORDRYNASGJWVKZ-UHFFFAOYSA-N 0 0 384.455 3.570 10 0 GHAERN COc1ccccc1O[C@H](C)CNC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000173511981 882374603 /nfs/dbraw/zinc/37/46/03/882374603.db2.gz HZPVCOFUHVKPKC-CABCVRRESA-N 0 0 375.494 3.508 10 0 GHAERN Cc1cc(C)n(-c2ccc(NC(=O)N3CCC[C@H](c4nccs4)C3)cn2)n1 ZINC000114777545 870173557 /nfs/dbraw/zinc/17/35/57/870173557.db2.gz CPYUTKFDITUCNR-HNNXBMFYSA-N 0 0 382.493 3.752 10 0 GHAERN C[C@@H]1CN(c2ccnc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)c2)C[C@@H](C)O1 ZINC000188529530 870275235 /nfs/dbraw/zinc/27/52/35/870275235.db2.gz AHDKDERAUGGSDV-APIJFGDWSA-N 0 0 385.430 3.546 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2cccn2)c1 ZINC000173704489 882394918 /nfs/dbraw/zinc/39/49/18/882394918.db2.gz FIXWEMRUJWDIRQ-NVXWUHKLSA-N 0 0 381.505 3.979 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174071306 882421027 /nfs/dbraw/zinc/42/10/27/882421027.db2.gz GLQWLBCUIPWRGG-UHFFFAOYSA-N 0 0 384.451 3.900 10 0 GHAERN CC(C)(CNC(=O)N[C@H]1CCOc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000058586640 870592804 /nfs/dbraw/zinc/59/28/04/870592804.db2.gz IDMRPDMLBUQHPW-KRWDZBQOSA-N 0 0 382.460 3.558 10 0 GHAERN Cn1c(SCc2nc3c4ccccc4oc3c(=O)[nH]2)nnc1-c1cccs1 ZINC000105364187 870612277 /nfs/dbraw/zinc/61/22/77/870612277.db2.gz FXQJYNQWOWFWOL-UHFFFAOYSA-N 0 0 395.469 3.819 10 0 GHAERN COc1cc(C2(C(=O)N3CCC(Nc4cccnn4)CC3)CCCC2)ccc1C ZINC000108278409 870642952 /nfs/dbraw/zinc/64/29/52/870642952.db2.gz CWMAIKGCVHKNHA-UHFFFAOYSA-N 0 0 394.519 3.709 10 0 GHAERN O=C(Cc1ccc(OC(F)(F)F)cc1)Oc1ccc(C(=O)N2CCCC2)cc1 ZINC000103044971 871135779 /nfs/dbraw/zinc/13/57/79/871135779.db2.gz DUERCZQZIJZKMI-UHFFFAOYSA-N 0 0 393.361 3.969 10 0 GHAERN Cc1nc(-c2ccccc2)oc1C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000174937876 882508005 /nfs/dbraw/zinc/50/80/05/882508005.db2.gz SAZPRWFQBVDPBG-UHFFFAOYSA-N 0 0 376.460 3.752 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)c3coc(Br)c3)C2)c1 ZINC000175415520 882553406 /nfs/dbraw/zinc/55/34/06/882553406.db2.gz JSBOZPWFOBPNCL-LLVKDONJSA-N 0 0 380.238 3.689 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3coc(Br)c3)C2)c1 ZINC000175415539 882553520 /nfs/dbraw/zinc/55/35/20/882553520.db2.gz JSBOZPWFOBPNCL-NSHDSACASA-N 0 0 380.238 3.689 10 0 GHAERN C[C@@]1(C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)CC1(Cl)Cl ZINC000175429253 882579005 /nfs/dbraw/zinc/57/90/05/882579005.db2.gz SANUBPCQKXQTEZ-ACJLOTCBSA-N 0 0 381.303 3.713 10 0 GHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)N[C@@H](C)c3ncc(C)s3)C2)c1 ZINC000175464113 882582981 /nfs/dbraw/zinc/58/29/81/882582981.db2.gz DBJYMKUERSUXDD-UONOGXRCSA-N 0 0 375.494 3.729 10 0 GHAERN O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000175511511 882591727 /nfs/dbraw/zinc/59/17/27/882591727.db2.gz IDFSQHCSEHDSDJ-MOTZXUDYSA-N 0 0 383.410 3.905 10 0 GHAERN CCSCC[C@H](C)N(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000175595647 882600645 /nfs/dbraw/zinc/60/06/45/882600645.db2.gz RPYQMHFWBKVRTA-HNNXBMFYSA-N 0 0 380.529 3.668 10 0 GHAERN CN1C(=O)CC[C@H](C(=O)N2CCC(OCC3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000175616802 882605395 /nfs/dbraw/zinc/60/53/95/882605395.db2.gz AOUQXHNASZFMBB-JTHBVZDNSA-N 0 0 398.547 3.794 10 0 GHAERN O=C(c1cccs1)N1CCC[C@H]1C(=O)N1CCC(OCC2CCCC2)CC1 ZINC000175619129 882605746 /nfs/dbraw/zinc/60/57/46/882605746.db2.gz LOFYYAOELIIODQ-SFHVURJKSA-N 0 0 390.549 3.551 10 0 GHAERN Cc1csc([C@H](NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)C2CC2)n1 ZINC000175826250 882635933 /nfs/dbraw/zinc/63/59/33/882635933.db2.gz QGFZRMWRYQBRBH-DOTOQJQBSA-N 0 0 396.520 3.535 10 0 GHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1C(=O)NC(C)C ZINC000175847993 882640960 /nfs/dbraw/zinc/64/09/60/882640960.db2.gz ZKHZLVDQKNAKLQ-RBUKOAKNSA-N 0 0 383.496 3.635 10 0 GHAERN O=C(Nc1cccc(NS(=O)(=O)c2cccc3ncccc32)c1)c1ccoc1 ZINC000102320196 872933239 /nfs/dbraw/zinc/93/32/39/872933239.db2.gz LVEIYYFOMOPDLL-UHFFFAOYSA-N 0 0 393.424 3.881 10 0 GHAERN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127656105 873104513 /nfs/dbraw/zinc/10/45/13/873104513.db2.gz KSHRKWKSDHAMNR-HOTGVXAUSA-N 0 0 389.569 3.823 10 0 GHAERN C[C@H]1CN(c2ccc(NC(=O)CCn3cccn3)cc2C(F)(F)F)C[C@H](C)O1 ZINC000102763356 873569325 /nfs/dbraw/zinc/56/93/25/873569325.db2.gz GGNBNCAHAJJHFG-KBPBESRZSA-N 0 0 396.413 3.544 10 0 GHAERN Cc1c(C(=O)NC2CCN(c3cccc(C)n3)CC2)cnn1-c1ccccc1C ZINC000116666856 873614415 /nfs/dbraw/zinc/61/44/15/873614415.db2.gz KOXVUDIOYZLKCZ-UHFFFAOYSA-N 0 0 389.503 3.591 10 0 GHAERN Cc1cccc(-c2nnc(COC(=O)c3cccc(NC(=O)[C@H]4C[C@@H]4C)c3)o2)c1 ZINC000102841485 873710420 /nfs/dbraw/zinc/71/04/20/873710420.db2.gz YGGAGBVZPFRUBL-KSSFIOAISA-N 0 0 391.427 3.997 10 0 GHAERN Cc1nc(COc2ccccc2C(=O)N2CC=C(c3cccs3)CC2)no1 ZINC000117723641 874149186 /nfs/dbraw/zinc/14/91/86/874149186.db2.gz AHVSATMIWRVRCW-UHFFFAOYSA-N 0 0 381.457 3.948 10 0 GHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000117758604 874155958 /nfs/dbraw/zinc/15/59/58/874155958.db2.gz FCKKVNQPVIXOQP-VLIAUNLRSA-N 0 0 397.450 3.503 10 0 GHAERN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177506186 882808470 /nfs/dbraw/zinc/80/84/70/882808470.db2.gz VCDNIFZUQCACAA-NSHDSACASA-N 0 0 383.395 3.507 10 0 GHAERN CCO[C@@H](CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCC1 ZINC000177352331 882821963 /nfs/dbraw/zinc/82/19/63/882821963.db2.gz YUMCZPGJVHDHHF-SFHVURJKSA-N 0 0 392.565 3.702 10 0 GHAERN O=S(=O)(Oc1ccc(-c2noc(C3CC3)n2)cc1)c1cccc2ncccc21 ZINC000104745921 874700948 /nfs/dbraw/zinc/70/09/48/874700948.db2.gz YXSKGDWOTZHOAA-UHFFFAOYSA-N 0 0 393.424 3.930 10 0 GHAERN Cc1cc(C(=O)NC[C@@H](O)Cc2ccccc2)cc(C)c1OCc1cccnc1 ZINC000104915550 874849366 /nfs/dbraw/zinc/84/93/66/874849366.db2.gz QZJYHZBAKAEQLK-QFIPXVFZSA-N 0 0 390.483 3.611 10 0 GHAERN Cc1nc(COC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)no1 ZINC000105545157 875325839 /nfs/dbraw/zinc/32/58/39/875325839.db2.gz VZRIIJVVKXKGMQ-UHFFFAOYSA-N 0 0 392.337 3.817 10 0 GHAERN CC(C)(C)OC(=O)NCCCNc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000105604928 875347488 /nfs/dbraw/zinc/34/74/88/875347488.db2.gz XEKLXTAHGQZUJG-UHFFFAOYSA-N 0 0 396.919 3.688 10 0 GHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000178673474 882931355 /nfs/dbraw/zinc/93/13/55/882931355.db2.gz ICIKSWISKNKKBK-NEPJUHHUSA-N 0 0 384.427 3.642 10 0 GHAERN C[C@@H](NC(=O)N1CCc2ccc(Cl)cc2C1)c1ccc(S(C)(=O)=O)cc1 ZINC000179200424 882979896 /nfs/dbraw/zinc/97/98/96/882979896.db2.gz WSEJYYJZVNYBHA-CYBMUJFWSA-N 0 0 392.908 3.572 10 0 GHAERN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCC(n2cncn2)CC1 ZINC000120430130 876029489 /nfs/dbraw/zinc/02/94/89/876029489.db2.gz GCIDJGFGJLTPGJ-DHZHZOJOSA-N 0 0 388.471 3.734 10 0 GHAERN COc1ccccc1COC1CCN(C(=O)N[C@H](C)c2nccs2)CC1 ZINC000179454837 883000561 /nfs/dbraw/zinc/00/05/61/883000561.db2.gz SBPIQMSMTZDXCP-CQSZACIVSA-N 0 0 375.494 3.604 10 0 GHAERN COc1ccc([C@@H](C)Nc2ccc(I)cn2)cc1OC ZINC000450262251 876181518 /nfs/dbraw/zinc/18/15/18/876181518.db2.gz RPQZDSKVTXNAER-SNVBAGLBSA-N 0 0 384.217 3.877 10 0 GHAERN O=C(CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccc(Cl)cc1 ZINC000179531885 883006212 /nfs/dbraw/zinc/00/62/12/883006212.db2.gz JVOSSGRULQPSJX-UHFFFAOYSA-N 0 0 397.862 3.697 10 0 GHAERN COCc1nnc(-c2cccc(C(=O)N3CC=C(c4cccs4)CC3)c2)o1 ZINC000179631832 883015761 /nfs/dbraw/zinc/01/57/61/883015761.db2.gz TYECYSZZULQVTO-UHFFFAOYSA-N 0 0 381.457 3.874 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CCO2)o1 ZINC000120833156 876314252 /nfs/dbraw/zinc/31/42/52/876314252.db2.gz IDXUVNCIPNMHIW-JXFKEZNVSA-N 0 0 380.448 3.618 10 0 GHAERN CCOc1ccc(-c2nc(C(=O)N3CC(=O)Nc4c(C)ccnc43)cs2)cc1 ZINC000179692117 883018812 /nfs/dbraw/zinc/01/88/12/883018812.db2.gz YUZFCDKGHLZTSR-UHFFFAOYSA-N 0 0 394.456 3.511 10 0 GHAERN COc1ccccc1-c1nnc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000179639947 883016917 /nfs/dbraw/zinc/01/69/17/883016917.db2.gz GWXMWTQBJFXHHN-INIZCTEOSA-N 0 0 396.466 3.763 10 0 GHAERN C[C@H](Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000179812992 883030413 /nfs/dbraw/zinc/03/04/13/883030413.db2.gz RYZBAUZHFQDVFX-LBPRGKRZSA-N 0 0 376.453 3.677 10 0 GHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000180214407 883067088 /nfs/dbraw/zinc/06/70/88/883067088.db2.gz NSHWJSAINGRAIQ-UONOGXRCSA-N 0 0 384.423 3.992 10 0 GHAERN CC[C@@H](C(=O)N1CCCN(C(=O)c2cccs2)CC1)c1ccc(OC)cc1 ZINC000180695319 883093961 /nfs/dbraw/zinc/09/39/61/883093961.db2.gz UXMZBBZTXUTHGW-GOSISDBHSA-N 0 0 386.517 3.625 10 0 GHAERN Cc1nc([C@@H](NC(=O)NC2(c3ccccc3)CCC2)c2ccccc2F)no1 ZINC000121482625 877108504 /nfs/dbraw/zinc/10/85/04/877108504.db2.gz PHDUNACRTAPTLI-SFHVURJKSA-N 0 0 380.423 3.985 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CCc3nc(-c4cccs4)no3)CC2)nc1 ZINC000180848793 883103082 /nfs/dbraw/zinc/10/30/82/883103082.db2.gz UYNJFFOKEBOILE-UHFFFAOYSA-N 0 0 398.488 3.504 10 0 GHAERN C[C@@H]1N(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCC12CCOCC2 ZINC000368814224 877624316 /nfs/dbraw/zinc/62/43/16/877624316.db2.gz PTFMWNYIXSDLIC-LRDDRELGSA-N 0 0 394.924 3.561 10 0 GHAERN COC(=O)[C@@H](c1cccnc1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716457 877678916 /nfs/dbraw/zinc/67/89/16/877678916.db2.gz MADRXKNYGJYUDB-AZUAARDMSA-N 0 0 376.460 3.565 10 0 GHAERN COCc1ccsc1C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000182332006 883214715 /nfs/dbraw/zinc/21/47/15/883214715.db2.gz SGAMTRGCWCZLJF-OAHLLOKOSA-N 0 0 384.501 3.651 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000182406268 883218813 /nfs/dbraw/zinc/21/88/13/883218813.db2.gz YCJVCXHOELQCQH-GJZGRUSLSA-N 0 0 392.912 3.587 10 0 GHAERN O=C(Nc1ccc(-c2ncco2)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000182553969 883226670 /nfs/dbraw/zinc/22/66/70/883226670.db2.gz PSTVBGYFBOEPTQ-MRXNPFEDSA-N 0 0 388.431 3.796 10 0 GHAERN COC(=O)Nc1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)cc1F ZINC000182588073 883228328 /nfs/dbraw/zinc/22/83/28/883228328.db2.gz UQDNYQFBUREFFS-JKSUJKDBSA-N 0 0 375.404 3.506 10 0 GHAERN O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000183077454 883259220 /nfs/dbraw/zinc/25/92/20/883259220.db2.gz QCQAPMOFNBFQIH-SFHVURJKSA-N 0 0 390.447 3.816 10 0 GHAERN Cc1nnc([C@H](NC(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000183520360 883268157 /nfs/dbraw/zinc/26/81/57/883268157.db2.gz MFTMKFHJLKCPPR-BFUOFWGJSA-N 0 0 396.878 3.881 10 0 GHAERN CC(C)c1nnc(/C=C/C(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)o1 ZINC000183795840 883287653 /nfs/dbraw/zinc/28/76/53/883287653.db2.gz YBDPFZVZWSWLQO-KIUWMYQTSA-N 0 0 395.381 3.825 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NCC2(CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000184018905 883299421 /nfs/dbraw/zinc/29/94/21/883299421.db2.gz TXPDSQJQIBPLMX-IBGZPJMESA-N 0 0 375.488 3.745 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C)cc2)c2ccc(F)cc2C1 ZINC000184038488 883302502 /nfs/dbraw/zinc/30/25/02/883302502.db2.gz GEUXPYLFYVIXPP-BTYIYWSLSA-N 0 0 383.467 3.988 10 0 GHAERN COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000184060402 883332115 /nfs/dbraw/zinc/33/21/15/883332115.db2.gz UGRWRJVNMLRQCS-LRDDRELGSA-N 0 0 390.871 3.747 10 0 GHAERN CC(=O)N1CC[C@@H](N[C@H](C)c2nc3ccccc3n2C)c2ccc(F)cc2C1 ZINC000184513648 883349494 /nfs/dbraw/zinc/34/94/94/883349494.db2.gz LBPANQWHYVOCHD-AUUYWEPGSA-N 0 0 380.467 3.857 10 0 GHAERN C[C@@H](NC(=O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)c1ccncc1 ZINC000184710356 883379342 /nfs/dbraw/zinc/37/93/42/883379342.db2.gz RFUYWULOJIRDFU-QAPCUYQASA-N 0 0 376.464 3.517 10 0 GHAERN CCOc1ccccc1NC(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184833250 883384562 /nfs/dbraw/zinc/38/45/62/883384562.db2.gz KXIQNYCNSUQPAJ-GOSISDBHSA-N 0 0 385.439 3.839 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Nc2ccc3oc(C)nc3c2)c2ccc(F)cc2C1 ZINC000185448376 883457806 /nfs/dbraw/zinc/45/78/06/883457806.db2.gz VKIWOJPPDSCLAR-GOSISDBHSA-N 0 0 396.422 3.890 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2cc(F)cc(F)c2)c2ccc(F)cc2C1 ZINC000185532744 883551129 /nfs/dbraw/zinc/55/11/29/883551129.db2.gz BWBWDSAQDVVOAJ-SFHVURJKSA-N 0 0 377.366 3.719 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)/C=C/SCc2ccco2)c2ccc(F)cc2C1 ZINC000185567463 883558273 /nfs/dbraw/zinc/55/82/73/883558273.db2.gz NWVCQSPGFZWBTF-VQFGERMISA-N 0 0 388.464 3.775 10 0 GHAERN O=C(NCc1ccc(C(F)F)cc1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000185688341 883573067 /nfs/dbraw/zinc/57/30/67/883573067.db2.gz QEHAODQZPSIMMI-INIZCTEOSA-N 0 0 385.418 3.756 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)NC2(Cc3ccccc3)CC2)c2ccc(F)cc2C1 ZINC000185818932 883576199 /nfs/dbraw/zinc/57/61/99/883576199.db2.gz HGGDVRNSFOEAAM-NRFANRHFSA-N 0 0 395.478 3.694 10 0 GHAERN COc1cccc(N2CC[C@@H](CNC(=O)N(Cc3ccccc3)C3CC3)C2)c1 ZINC000102578208 883629256 /nfs/dbraw/zinc/62/92/56/883629256.db2.gz IGEMILBXPJWDQV-IBGZPJMESA-N 0 0 379.504 3.896 10 0 GHAERN C[C@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1ccc(OC(F)F)cc1 ZINC000186318367 883633058 /nfs/dbraw/zinc/63/30/58/883633058.db2.gz WEEKLWFJGGRTRN-HNNXBMFYSA-N 0 0 390.434 3.666 10 0 GHAERN CC(C)Oc1ccc(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000186280187 883636356 /nfs/dbraw/zinc/63/63/56/883636356.db2.gz ZZESOTGQAZVCML-UHFFFAOYSA-N 0 0 386.536 3.658 10 0 GHAERN C[C@@H](NC(=O)N1CCCN(c2ccccn2)CC1)c1cccc(OC(F)F)c1 ZINC000186347885 883651148 /nfs/dbraw/zinc/65/11/48/883651148.db2.gz DXYZCIVWELYKOP-OAHLLOKOSA-N 0 0 390.434 3.666 10 0 GHAERN O=C(CCc1cccc(Br)c1)N1CCCN(c2ccccn2)CC1 ZINC000186373936 883652160 /nfs/dbraw/zinc/65/21/60/883652160.db2.gz HRKLATONTOIAKT-UHFFFAOYSA-N 0 0 388.309 3.516 10 0 GHAERN CC[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000186384543 883652305 /nfs/dbraw/zinc/65/23/05/883652305.db2.gz QPRVWXQATIWBJI-LJQANCHMSA-N 0 0 382.529 3.964 10 0 GHAERN CN1Cc2cc(NC(=O)NCCCn3ccc4ccccc43)ccc2NC1=O ZINC000186604872 883673185 /nfs/dbraw/zinc/67/31/85/883673185.db2.gz UZZVHEDDMLALNQ-UHFFFAOYSA-N 0 0 377.448 3.830 10 0 GHAERN C[C@@H](COc1ccc(F)cc1F)NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186644391 883680712 /nfs/dbraw/zinc/68/07/12/883680712.db2.gz DXTBHTBRQOBWAG-NSHDSACASA-N 0 0 390.390 3.531 10 0 GHAERN CN1Cc2cc(NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)ccc2NC1=O ZINC000186702669 883693382 /nfs/dbraw/zinc/69/33/82/883693382.db2.gz AJTBWVIIRMBZNI-MGPUTAFESA-N 0 0 394.475 3.953 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CC[C@@]3(C2)OCc2ccccc23)n1 ZINC000186971415 883739633 /nfs/dbraw/zinc/73/96/33/883739633.db2.gz DLRJHHJMSHHHHV-FQEVSTJZSA-N 0 0 375.419 3.748 10 0 GHAERN CCS[C@@H](C)c1noc(C[S@@](=O)Cc2nc(-c3ccccc3F)no2)n1 ZINC000187080730 883753630 /nfs/dbraw/zinc/75/36/30/883753630.db2.gz BSFJRTGJMJTALP-RSNKEIGGSA-N 0 0 396.469 3.522 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)NCCc2nnc(-c3ccccc3)o2)cs1 ZINC000187662416 883806300 /nfs/dbraw/zinc/80/63/00/883806300.db2.gz ULNCGVWSCYGARS-INIZCTEOSA-N 0 0 383.477 3.591 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)Nc2ccnn2[C@@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000187716678 883816122 /nfs/dbraw/zinc/81/61/22/883816122.db2.gz FOPXSSMAROCZAD-DJJJIMSYSA-N 0 0 399.470 3.608 10 0 GHAERN COc1ccnc(NC2CCN(C(=O)Nc3cc(C)ccc3Cl)CC2)n1 ZINC000188082262 883821952 /nfs/dbraw/zinc/82/19/52/883821952.db2.gz WGXIDIMBCOOPHP-UHFFFAOYSA-N 0 0 375.860 3.555 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)cs1 ZINC000188121699 883827452 /nfs/dbraw/zinc/82/74/52/883827452.db2.gz TZHDGPOSLKIPFP-HOCLYGCPSA-N 0 0 379.526 3.905 10 0 GHAERN Cc1ccc(OC2CCN(C(=O)CC3CCC4(CC3)OCCO4)CC2)cc1C ZINC000188264195 883841585 /nfs/dbraw/zinc/84/15/85/883841585.db2.gz WBHAAASPPLECCS-UHFFFAOYSA-N 0 0 387.520 3.997 10 0 GHAERN COc1ccc2nc(NC(=O)N3CCC(Nc4nccs4)CC3)sc2c1 ZINC000188295517 883842570 /nfs/dbraw/zinc/84/25/70/883842570.db2.gz INSROTBVDRADOG-UHFFFAOYSA-N 0 0 389.506 3.870 10 0 GHAERN Cc1cccc2nc(C3CCN(C(=O)[C@H]4CC(=O)Nc5ccccc54)CC3)oc21 ZINC000188520946 883855439 /nfs/dbraw/zinc/85/54/39/883855439.db2.gz OTPUMLAGSFYBCA-KRWDZBQOSA-N 0 0 389.455 3.968 10 0 GHAERN COc1ccc(OC(F)F)c(NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000188557537 883858272 /nfs/dbraw/zinc/85/82/72/883858272.db2.gz QUESLKHOWZQSDU-UHFFFAOYSA-N 0 0 398.435 3.862 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000188693360 883871099 /nfs/dbraw/zinc/87/10/99/883871099.db2.gz DBZCHISYLOJJIL-FQEVSTJZSA-N 0 0 394.471 3.500 10 0 GHAERN C[C@@H](O)C[C@@H](CNC(=O)N1CC2(CCOCC2)c2ccccc21)c1ccccc1 ZINC000189563159 883963280 /nfs/dbraw/zinc/96/32/80/883963280.db2.gz RLIOARBOGCZBJZ-QUCCMNQESA-N 0 0 394.515 3.819 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000189638056 883974610 /nfs/dbraw/zinc/97/46/10/883974610.db2.gz MNZZJVWFKCHKPI-HNNXBMFYSA-N 0 0 378.908 3.912 10 0 GHAERN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189793455 883994944 /nfs/dbraw/zinc/99/49/44/883994944.db2.gz CGGUYNOMPFTXDX-VQIMIIECSA-N 0 0 390.483 3.990 10 0 GHAERN Cc1nn(C)cc1NC(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000189732542 884002187 /nfs/dbraw/zinc/00/21/87/884002187.db2.gz YMKJOTVUJZGBHC-OAHLLOKOSA-N 0 0 381.249 3.999 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1 ZINC000190022301 884043296 /nfs/dbraw/zinc/04/32/96/884043296.db2.gz JPQBZTCJPPULGP-BBRMVZONSA-N 0 0 398.290 3.996 10 0 GHAERN COc1ccc(OC)c([C@H](C)NC(=O)N2CCC(Nc3nccs3)CC2)c1 ZINC000190038630 884045619 /nfs/dbraw/zinc/04/56/19/884045619.db2.gz LMZJJQXGBIDVNO-ZDUSSCGKSA-N 0 0 390.509 3.507 10 0 GHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCC(Nc2nccs2)CC1 ZINC000190116070 884046252 /nfs/dbraw/zinc/04/62/52/884046252.db2.gz UWVPFKFSOVEXKU-YPMHNXCESA-N 0 0 376.448 3.850 10 0 GHAERN CSCc1noc(CCC(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)n1 ZINC000190288623 884064049 /nfs/dbraw/zinc/06/40/49/884064049.db2.gz VJLMLWFPHOKMIK-LBPRGKRZSA-N 0 0 381.448 3.550 10 0 GHAERN CC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](c4cc(F)ccc4F)C3)ccc21 ZINC000190286719 884064245 /nfs/dbraw/zinc/06/42/45/884064245.db2.gz YNAAYSWGVGPVBD-QGZVFWFLSA-N 0 0 384.426 3.894 10 0 GHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190281153 884064262 /nfs/dbraw/zinc/06/42/62/884064262.db2.gz UCVVPJTVMMWMKX-XJKSGUPXSA-N 0 0 375.463 3.900 10 0 GHAERN C[C@@H](CC(=O)N1CCC(Nc2nccs2)CC1)C(=O)c1cccc(F)c1 ZINC000190421379 884078814 /nfs/dbraw/zinc/07/88/14/884078814.db2.gz LDEHZQWFVRNPHY-ZDUSSCGKSA-N 0 0 375.469 3.594 10 0 GHAERN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000190629823 884103711 /nfs/dbraw/zinc/10/37/11/884103711.db2.gz ZWHQDZYDXLZLFV-UYAOXDASSA-N 0 0 395.507 3.637 10 0 GHAERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000190648041 884105716 /nfs/dbraw/zinc/10/57/16/884105716.db2.gz DXSYJFSVNXBRAZ-FQEVSTJZSA-N 0 0 380.488 3.863 10 0 GHAERN Cc1csc(C2CCN(C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000191796535 884211727 /nfs/dbraw/zinc/21/17/27/884211727.db2.gz IJTHNROIQLRAEY-ZIAGYGMSSA-N 0 0 381.542 3.707 10 0 GHAERN Cn1cc([C@@H]2CSCCN2C(=O)c2csc(-c3ccsc3)n2)cn1 ZINC000192010051 884230536 /nfs/dbraw/zinc/23/05/36/884230536.db2.gz HHMGCUROWCKVQM-AWEZNQCLSA-N 0 0 376.532 3.535 10 0 GHAERN O=C(Nc1c(F)cc(F)cc1Br)N[C@H]1Cc2ccccc2[C@H]1O ZINC000192284264 884248877 /nfs/dbraw/zinc/24/88/77/884248877.db2.gz CWKOVGGQEBJJND-DZGCQCFKSA-N 0 0 383.192 3.507 10 0 GHAERN COc1cc(SC)ccc1NC(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000192651823 884274316 /nfs/dbraw/zinc/27/43/16/884274316.db2.gz QPMFQVMUVMSQFE-UHFFFAOYSA-N 0 0 386.521 3.911 10 0 GHAERN COCc1ccc(NC(=O)N[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000192547309 884279977 /nfs/dbraw/zinc/27/99/77/884279977.db2.gz ZSJWFLZEIZIGRY-HXUWFJFHSA-N 0 0 385.439 3.587 10 0 GHAERN O=C(c1c(O)cnc2ccccc21)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192998502 884318378 /nfs/dbraw/zinc/31/83/78/884318378.db2.gz ZMTPHUAADTWSNK-UHFFFAOYSA-N 0 0 382.847 3.718 10 0 GHAERN CCCNc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000193033154 884322227 /nfs/dbraw/zinc/32/22/27/884322227.db2.gz JGGXTVBPQAGTOU-UHFFFAOYSA-N 0 0 397.494 3.816 10 0 GHAERN CN(C)C(=O)c1cccc(C[S@@](=O)Cc2csc(Br)c2)c1 ZINC000105517507 884796334 /nfs/dbraw/zinc/79/63/34/884796334.db2.gz NSHKGGWPXDMVQR-NRFANRHFSA-N 0 0 386.336 3.661 10 0 GHAERN O=C(c1ccc(-n2cccc2)c(F)c1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000104354156 885390394 /nfs/dbraw/zinc/39/03/94/885390394.db2.gz QDKLRRHTZGRDBR-IBGZPJMESA-N 0 0 379.435 3.833 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccccc1Br ZINC000151687695 885736553 /nfs/dbraw/zinc/73/65/53/885736553.db2.gz CVBMCHZCKJUIRF-KEYYUXOJSA-N 0 0 391.313 3.999 10 0 GHAERN Cc1nc(-c2ccco2)ccc1C(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000101852537 885958948 /nfs/dbraw/zinc/95/89/48/885958948.db2.gz IYHQTGBHUFBYDN-UHFFFAOYSA-N 0 0 387.443 3.713 10 0 GHAERN CCOCc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 ZINC000102536957 885971663 /nfs/dbraw/zinc/97/16/63/885971663.db2.gz PEXLENPVIOJTMR-SFHVURJKSA-N 0 0 396.491 3.809 10 0 GHAERN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCc1c[nH]c2cccc(C)c12 ZINC000103129442 885984723 /nfs/dbraw/zinc/98/47/23/885984723.db2.gz IHISDRRTLQVVHF-JOCHJYFZSA-N 0 0 389.499 3.671 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000109336054 886117929 /nfs/dbraw/zinc/11/79/29/886117929.db2.gz IBIDUKJMBDQCHS-JLHYYAGUSA-N 0 0 384.520 3.786 10 0 GHAERN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000112351589 886258665 /nfs/dbraw/zinc/25/86/65/886258665.db2.gz PEBIHJSGTZSZAJ-QGZVFWFLSA-N 0 0 385.533 3.540 10 0 GHAERN CC(C)Oc1ccccc1NC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112419236 886262925 /nfs/dbraw/zinc/26/29/25/886262925.db2.gz SIBFMTQJLCAZQG-UHFFFAOYSA-N 0 0 387.505 3.915 10 0 GHAERN CCC(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000113218159 886287108 /nfs/dbraw/zinc/28/71/08/886287108.db2.gz KWTPQXHNHGBBEZ-ICSRJNTNSA-N 0 0 394.519 3.574 10 0 GHAERN Cc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(C)c(Cl)c3)CC2)no1 ZINC000032473746 886322592 /nfs/dbraw/zinc/32/25/92/886322592.db2.gz FLOIKOLQGZKHCK-AATRIKPKSA-N 0 0 387.867 3.835 10 0 GHAERN CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114777786 886325730 /nfs/dbraw/zinc/32/57/30/886325730.db2.gz XQJOXWCLQLXDDS-MRXNPFEDSA-N 0 0 386.521 3.827 10 0 GHAERN CC(C)C(=O)Nc1ccc(CNC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114777783 886325939 /nfs/dbraw/zinc/32/59/39/886325939.db2.gz XQJOXWCLQLXDDS-INIZCTEOSA-N 0 0 386.521 3.827 10 0 GHAERN Cc1cc(F)cc2[nH]c(C(=O)N3CCCN(C(=O)c4cccs4)CC3)cc21 ZINC000116761213 886372380 /nfs/dbraw/zinc/37/23/80/886372380.db2.gz LYFGODGRUOKFNF-UHFFFAOYSA-N 0 0 385.464 3.665 10 0 GHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000117625145 886388840 /nfs/dbraw/zinc/38/88/40/886388840.db2.gz PPRMWQMZSGZVEJ-BTYIYWSLSA-N 0 0 387.439 3.515 10 0 GHAERN O=C(CCC(=O)N1CC=C(c2cccs2)CC1)N1CCC(c2ccccc2)=N1 ZINC000117723572 886392340 /nfs/dbraw/zinc/39/23/40/886392340.db2.gz MFPDPDGWVIWHEE-UHFFFAOYSA-N 0 0 393.512 3.781 10 0 GHAERN CCc1ncc(NC(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000118942684 886417359 /nfs/dbraw/zinc/41/73/59/886417359.db2.gz RZBVDKUDRYLLPM-INIZCTEOSA-N 0 0 376.464 3.841 10 0 GHAERN C[C@H](NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1nc(C2CCCCC2)no1 ZINC000119658171 886471518 /nfs/dbraw/zinc/47/15/18/886471518.db2.gz KSNSWJFXZVDQEE-NBQZKYEYSA-N 0 0 376.501 3.515 10 0 GHAERN O=C([C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)N1CCC[C@H](Nc2ccccc2)C1 ZINC000119664280 886472082 /nfs/dbraw/zinc/47/20/82/886472082.db2.gz ZARHFJVNLSFGRG-HIFRSBDPSA-N 0 0 392.425 3.637 10 0 GHAERN C[C@H](CNC(=O)N1CCC[C@H](c2nccs2)C1)c1nc(-c2ccccc2)no1 ZINC000119830394 886481128 /nfs/dbraw/zinc/48/11/28/886481128.db2.gz VCSJLROIYDZLJW-ZBFHGGJFSA-N 0 0 397.504 3.886 10 0 GHAERN Cc1nc([C@H]2CCCOC2)sc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000333008689 886566982 /nfs/dbraw/zinc/56/69/82/886566982.db2.gz MIHUTNWTDPBSBW-WFASDCNBSA-N 0 0 388.489 3.608 10 0 GHAERN CCOc1cc(C=CC(=O)N2CCC(c3cc[nH]n3)CC2)cc(Cl)c1OC ZINC000125169680 886835798 /nfs/dbraw/zinc/83/57/98/886835798.db2.gz UCWDKEDHBODIDY-SNAWJCMRSA-N 0 0 389.883 3.890 10 0 GHAERN O=C(NCc1ccc(O)c(Br)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000126222940 886947193 /nfs/dbraw/zinc/94/71/93/886947193.db2.gz UUMNGMMOWYDXTQ-GFCCVEGCSA-N 0 0 396.310 3.700 10 0 GHAERN Cn1ccnc1[C@@H](O)C1CCN(C(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000126500037 886973874 /nfs/dbraw/zinc/97/38/74/886973874.db2.gz RKZZHIOBNFKDQV-IRXDYDNUSA-N 0 0 390.553 3.724 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000128926579 887242267 /nfs/dbraw/zinc/24/22/67/887242267.db2.gz WDCNUYJSGONCLF-OAHLLOKOSA-N 0 0 398.482 3.688 10 0 GHAERN Cc1oncc1C(=O)Nc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c(O)c1 ZINC000129554219 887318925 /nfs/dbraw/zinc/31/89/25/887318925.db2.gz QANAGGJGMAKUDL-QFIPXVFZSA-N 0 0 395.459 3.903 10 0 GHAERN Cc1ccc(NC(=O)C2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3C)CC2)nc1 ZINC000129598982 887321828 /nfs/dbraw/zinc/32/18/28/887321828.db2.gz QHVBVFHEFUSEDD-PMACEKPBSA-N 0 0 377.488 3.679 10 0 GHAERN CCc1nc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)sc1C ZINC000047424250 887323398 /nfs/dbraw/zinc/32/33/98/887323398.db2.gz MWMHHODOGBBCMV-UHFFFAOYSA-N 0 0 375.469 3.644 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCn4nc(C(C)C)nc43)C2)cc1 ZINC000130565947 887448240 /nfs/dbraw/zinc/44/82/40/887448240.db2.gz GQSLJDJIUNTXCJ-IEBWSBKVSA-N 0 0 396.539 3.513 10 0 GHAERN CC(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1C ZINC000048887808 887500320 /nfs/dbraw/zinc/50/03/20/887500320.db2.gz MZYSDLWCBGOCNL-UHFFFAOYSA-N 0 0 385.489 3.506 10 0 GHAERN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000131442172 887543701 /nfs/dbraw/zinc/54/37/01/887543701.db2.gz SKISJZBHXLUKFH-OALUTQOASA-N 0 0 398.528 3.637 10 0 GHAERN CCN(CC)C(=O)c1ccccc1NC(=O)N[C@H]1CCCn2nc(C(C)C)nc21 ZINC000132481878 887662376 /nfs/dbraw/zinc/66/23/76/887662376.db2.gz IUMQBSXYEVEFEM-KRWDZBQOSA-N 0 0 398.511 3.540 10 0 GHAERN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000134092493 887833400 /nfs/dbraw/zinc/83/34/00/887833400.db2.gz XMCOIMWRJMAXJC-QZTJIDSGSA-N 0 0 399.539 3.567 10 0 GHAERN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)NC1CCN(c2cccs2)CC1 ZINC000134104607 887835205 /nfs/dbraw/zinc/83/52/05/887835205.db2.gz NZTOGZKYZRUJNP-GOSISDBHSA-N 0 0 387.505 3.706 10 0 GHAERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000134333780 887860941 /nfs/dbraw/zinc/86/09/41/887860941.db2.gz YKMSMERWCGTFHH-UKRRQHHQSA-N 0 0 399.438 3.618 10 0 GHAERN CCC(=O)c1cccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000134651586 887896090 /nfs/dbraw/zinc/89/60/90/887896090.db2.gz ZYINQJVUTSDTEF-GOSISDBHSA-N 0 0 396.491 3.702 10 0 GHAERN O=C(c1cccnc1Br)N1CCC(Nc2ccccc2F)CC1 ZINC000135873572 888264749 /nfs/dbraw/zinc/26/47/49/888264749.db2.gz GQFLOZQEQQHOOB-UHFFFAOYSA-N 0 0 378.245 3.700 10 0 GHAERN O=C(c1ccccn1)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000055603523 888325512 /nfs/dbraw/zinc/32/55/12/888325512.db2.gz QSRVCMLLHUSPGB-UHFFFAOYSA-N 0 0 399.494 3.588 10 0 GHAERN O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000137142213 888336013 /nfs/dbraw/zinc/33/60/13/888336013.db2.gz HKJQDNRZNHEDFI-INIZCTEOSA-N 0 0 388.418 3.645 10 0 GHAERN CCCC(=O)Nc1cccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)c1C ZINC000137216446 888344358 /nfs/dbraw/zinc/34/43/58/888344358.db2.gz IDYYXGRQVVYTAP-QGZVFWFLSA-N 0 0 382.464 3.814 10 0 GHAERN CC(C)c1noc(-c2ccc(NC(=O)N3CC[C@@H](Oc4cccnc4)C3)cc2)n1 ZINC000137315606 888348607 /nfs/dbraw/zinc/34/86/07/888348607.db2.gz YKEGNGLDKYHRII-GOSISDBHSA-N 0 0 393.447 3.940 10 0 GHAERN Cc1nnc([C@H](NC(=O)c2cccc(OCc3cccnc3)c2)c2ccccc2)[nH]1 ZINC000057890737 888417741 /nfs/dbraw/zinc/41/77/41/888417741.db2.gz MBFCPXCPMOUNRG-OAQYLSRUSA-N 0 0 399.454 3.607 10 0 GHAERN Cc1ccc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)cc1C(=O)N(C)C(C)C ZINC000193738483 888519734 /nfs/dbraw/zinc/51/97/34/888519734.db2.gz XPOXMESVWCZRNB-LJQANCHMSA-N 0 0 396.491 3.556 10 0 GHAERN COc1ccc(Br)cc1NC(=O)[C@@H]1CCCN1c1nccs1 ZINC000193787115 888523594 /nfs/dbraw/zinc/52/35/94/888523594.db2.gz GJDLDLUPDMAARQ-LBPRGKRZSA-N 0 0 382.283 3.522 10 0 GHAERN CC(C)(C)N(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000193869739 888531838 /nfs/dbraw/zinc/53/18/38/888531838.db2.gz CHSGOFCWSKBPDN-FQEVSTJZSA-N 0 0 379.504 3.761 10 0 GHAERN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2csc(-c3ccccn3)n2)C1 ZINC000195011076 888635923 /nfs/dbraw/zinc/63/59/23/888635923.db2.gz HBGUFDSUMQNHRB-HNNXBMFYSA-N 0 0 392.484 3.696 10 0 GHAERN Cc1ccc(-c2nc(CN3CCC(c4ccnn4CCO)CC3)cs2)cc1 ZINC000195508908 888683106 /nfs/dbraw/zinc/68/31/06/888683106.db2.gz DIBCOTAFALZYRZ-UHFFFAOYSA-N 0 0 382.533 3.687 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1)c1ccncc1 ZINC000245392845 888743902 /nfs/dbraw/zinc/74/39/02/888743902.db2.gz BTFYSNZDEHLBPE-DVWBAYGPSA-N 0 0 377.488 3.732 10 0 GHAERN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245404950 888745501 /nfs/dbraw/zinc/74/55/01/888745501.db2.gz RENJOMVJFPLXHU-MQNAVGNWSA-N 0 0 390.483 3.939 10 0 GHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)C2)cc1 ZINC000245463868 888759962 /nfs/dbraw/zinc/75/99/62/888759962.db2.gz HKPLTXCISTUAHB-HUAKPZFZSA-N 0 0 390.480 3.982 10 0 GHAERN CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000245532825 888852217 /nfs/dbraw/zinc/85/22/17/888852217.db2.gz IIKTXDVHQSGCOG-MAODMQOUSA-N 0 0 396.535 3.759 10 0 GHAERN CS(=O)(=O)Nc1cccc2c1CCN(C(=O)[C@@H]1CC[C@H]3CCCC[C@H]3C1)C2 ZINC000245712045 889393938 /nfs/dbraw/zinc/39/39/38/889393938.db2.gz NOFUBSANOMPSFO-IXDOHACOSA-N 0 0 390.549 3.549 10 0 GHAERN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000245966516 890099140 /nfs/dbraw/zinc/09/91/40/890099140.db2.gz DZFGSAGYNDNOGX-SQGPQFPESA-N 0 0 395.551 3.621 10 0 GHAERN C[C@H](Sc1ccccc1Cl)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000246012673 890180882 /nfs/dbraw/zinc/18/08/82/890180882.db2.gz RVZZIPOJKOHMAL-GRDNDAEWSA-N 0 0 393.940 3.526 10 0 GHAERN CSc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246026352 890204582 /nfs/dbraw/zinc/20/45/82/890204582.db2.gz LXLPADQGKPSFEI-LSDHHAIUSA-N 0 0 385.537 3.542 10 0 GHAERN Brc1ccc(-c2nnc(CN3CCS[C@H]4CCCC[C@H]43)o2)o1 ZINC000246100636 890370454 /nfs/dbraw/zinc/37/04/54/890370454.db2.gz IJQRHYSNHKDAST-PWSUYJOCSA-N 0 0 384.299 3.952 10 0 GHAERN Brc1ccc(-c2cnc(CN3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000246827145 891312612 /nfs/dbraw/zinc/31/26/12/891312612.db2.gz JZVSCPSMZPZQMO-GDBMZVCRSA-N 0 0 395.322 3.810 10 0 GHAERN CCOCCOCc1cccc(NC(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1C ZINC000247330660 891368777 /nfs/dbraw/zinc/36/87/77/891368777.db2.gz JBIBJMVAOJOWCO-SXLOBPIMSA-N 0 0 376.497 3.627 10 0 GHAERN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247464705 891378813 /nfs/dbraw/zinc/37/88/13/891378813.db2.gz PUFORNXBIWPUDG-GVDBMIGSSA-N 0 0 389.883 3.787 10 0 GHAERN Cc1ccc(N2CCC[C@@H](NC(=O)Nc3ccccc3C[S@@](C)=O)C2)cc1 ZINC000248391216 891422448 /nfs/dbraw/zinc/42/24/48/891422448.db2.gz CXMBTKKKBUAJMX-DNOBIOAJSA-N 0 0 385.533 3.664 10 0 GHAERN Cc1nc([C@@H]2CCCN2CC(O)CN2CCC[C@H]2c2csc(C)n2)cs1 ZINC000248762898 891466616 /nfs/dbraw/zinc/46/66/16/891466616.db2.gz ZBLUDNUGIZRMQR-OALUTQOASA-N 0 0 392.594 3.551 10 0 GHAERN C[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000249119443 891496935 /nfs/dbraw/zinc/49/69/35/891496935.db2.gz BQVLNQHWQFQKRZ-SXXASDTRSA-N 0 0 388.508 3.572 10 0 GHAERN C[C@H](C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000249119441 891497287 /nfs/dbraw/zinc/49/72/87/891497287.db2.gz BQVLNQHWQFQKRZ-DZRGKWQISA-N 0 0 388.508 3.572 10 0 GHAERN Brc1ccccc1N1CC[C@H](N[C@@H](c2ncc[nH]2)c2ccncc2)C1 ZINC000249133316 891498439 /nfs/dbraw/zinc/49/84/39/891498439.db2.gz VCWHIYGWWODCDN-MAUKXSAKSA-N 0 0 398.308 3.525 10 0 GHAERN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000249703794 891517067 /nfs/dbraw/zinc/51/70/67/891517067.db2.gz KYAOJESRJZATSX-YHYVQYDKSA-N 0 0 390.487 3.955 10 0 GHAERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282067005 892604004 /nfs/dbraw/zinc/60/40/04/892604004.db2.gz BMMZZYZDGLQGGY-CEXWTWQISA-N 0 0 376.472 3.525 10 0 GHAERN Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000163024454 893075072 /nfs/dbraw/zinc/07/50/72/893075072.db2.gz WZILRFKHVGNCTF-NHYWBVRUSA-N 0 0 396.361 3.635 10 0 GHAERN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249124068 895127757 /nfs/dbraw/zinc/12/77/57/895127757.db2.gz ZDZOXRHROJWOQY-OHNRDTAOSA-N 0 0 381.563 3.783 10 0 GHAERN CCCC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000101996032 897987295 /nfs/dbraw/zinc/98/72/95/897987295.db2.gz LSRDORNNAOWPDH-RDTXWAMCSA-N 0 0 377.916 3.665 10 0 GHAERN C[C@H](NC(=O)N(C)C[C@H]1CCCO1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000102902821 898046778 /nfs/dbraw/zinc/04/67/78/898046778.db2.gz CUMMBGZPYRURMN-OXJNMPFZSA-N 0 0 381.476 3.820 10 0 GHAERN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(n2ccnc2)CC1 ZINC000103304128 898083197 /nfs/dbraw/zinc/08/31/97/898083197.db2.gz IKTODVQPYMAYDE-UHFFFAOYSA-N 0 0 395.438 3.756 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1 ZINC000105006999 898177032 /nfs/dbraw/zinc/17/70/32/898177032.db2.gz LBMYNEQBQGTQHD-UHFFFAOYSA-N 0 0 382.508 3.954 10 0 GHAERN Cn1cc([C@@H]2CCN(C(=O)N[C@@H]3CCSc4ccc(Cl)cc43)C2)cn1 ZINC000116524884 899281028 /nfs/dbraw/zinc/28/10/28/899281028.db2.gz NMJXDCFAQFCRGT-MLGOLLRUSA-N 0 0 376.913 3.810 10 0 GHAERN Cc1cccc(NC(=O)N2CCC(c3ccnn3C)CC2)c1Br ZINC000120775945 899878975 /nfs/dbraw/zinc/87/89/75/899878975.db2.gz QIUPGPBSDOMVDK-UHFFFAOYSA-N 0 0 377.286 3.903 10 0 GHAERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 ZINC000333207810 900037701 /nfs/dbraw/zinc/03/77/01/900037701.db2.gz CFAUJRBVNVQDAZ-AHJNKEMKSA-N 0 0 398.547 3.637 10 0 GHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000282982028 902031695 /nfs/dbraw/zinc/03/16/95/902031695.db2.gz BRXHKBLRZHVHEI-APWZRJJASA-N 0 0 384.524 3.697 10 0 GHAERN CC(C)(C)[C@@H]1CCc2nc(NC(=O)N3CCNC[C@H]3c3cccnc3)sc2C1 ZINC000333370536 902042878 /nfs/dbraw/zinc/04/28/78/902042878.db2.gz UZKPAWJAPJSVCD-WBVHZDCISA-N 0 0 399.564 3.868 10 0 GHAERN O=C(Nc1ccc2cc[nH]c(=O)c2c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000333406524 902068522 /nfs/dbraw/zinc/06/85/22/902068522.db2.gz OWELTSRQMBEPEL-QGZVFWFLSA-N 0 0 392.463 3.627 10 0 GHAERN CC(C)(C)OC(=O)NCCCNC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000103617191 903989037 /nfs/dbraw/zinc/98/90/37/903989037.db2.gz KBCJFRPUDMEWEI-KRWDZBQOSA-N 0 0 376.501 3.623 10 0 GHAERN C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000176074301 905747268 /nfs/dbraw/zinc/74/72/68/905747268.db2.gz LVOIKMCYGVSGSB-KBPBESRZSA-N 0 0 390.480 3.619 10 0 GHAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000179352788 906480438 /nfs/dbraw/zinc/48/04/38/906480438.db2.gz XJPCZKFLOPAHIU-GOSISDBHSA-N 0 0 398.898 3.557 10 0 GHAERN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000181026412 906902139 /nfs/dbraw/zinc/90/21/39/906902139.db2.gz ZUVOALPOIFEACL-GOEBONIOSA-N 0 0 393.896 3.793 10 0 GHAERN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183065704 907320562 /nfs/dbraw/zinc/32/05/62/907320562.db2.gz MCLSWDZQZLIWNV-HNNXBMFYSA-N 0 0 383.452 3.995 10 0 GHAERN COc1ccc(COCCCNC(=O)N2CCC[C@H]2c2csc(C)n2)cc1 ZINC000186537505 907938765 /nfs/dbraw/zinc/93/87/65/907938765.db2.gz LNSIJFGCHMTWDK-IBGZPJMESA-N 0 0 389.521 3.914 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cs1 ZINC000186999014 908017283 /nfs/dbraw/zinc/01/72/83/908017283.db2.gz MIUDBXCYGIIFKL-ZBFHGGJFSA-N 0 0 379.526 3.762 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2cccc(OCc3ccccc3)c2)C1 ZINC000189102039 908283647 /nfs/dbraw/zinc/28/36/47/908283647.db2.gz QNZAXMAJYMIDNO-VQTJNVASSA-N 0 0 393.443 3.559 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000189378936 908313705 /nfs/dbraw/zinc/31/37/05/908313705.db2.gz JZTHATBYYDCSDE-FXAWDEMLSA-N 0 0 390.443 3.943 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(C(F)(F)F)ccc2C)C1 ZINC000189442067 908323054 /nfs/dbraw/zinc/32/30/54/908323054.db2.gz ZUDMUKWTIXPWGG-GXTWGEPZSA-N 0 0 384.358 3.699 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C)c(C)c3ncccc23)cs1 ZINC000189457327 908327133 /nfs/dbraw/zinc/32/71/33/908327133.db2.gz YURGFKKMVCANMW-SFHVURJKSA-N 0 0 394.500 3.919 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000190029432 908408397 /nfs/dbraw/zinc/40/83/97/908408397.db2.gz HHNYLMOTVBCSHE-MFKMUULPSA-N 0 0 389.761 3.652 10 0 GHAERN CCCOc1ccc(Cl)cc1NC(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000190121046 908431166 /nfs/dbraw/zinc/43/11/66/908431166.db2.gz ZQDLISUACOADPF-HIFRSBDPSA-N 0 0 394.859 3.814 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)C1 ZINC000190126358 908432497 /nfs/dbraw/zinc/43/24/97/908432497.db2.gz CEZBFMSQKAINDF-BXUZGUMPSA-N 0 0 385.251 3.987 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)C1 ZINC000190134701 908435448 /nfs/dbraw/zinc/43/54/48/908435448.db2.gz CZFISJOQQIDEJF-WBVHZDCISA-N 0 0 397.435 3.644 10 0 GHAERN CSc1ccc(N2C[C@H](C(=O)OCc3sc(C)nc3C)CC2=O)cc1 ZINC000103822536 911381301 /nfs/dbraw/zinc/38/13/01/911381301.db2.gz UMGWYFOGAXVFAD-CYBMUJFWSA-N 0 0 376.503 3.578 10 0 GHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000375415709 928279892 /nfs/dbraw/zinc/27/98/92/928279892.db2.gz NBZSHNALORQCFX-KNXBSLHKSA-N 0 0 375.472 3.980 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1C ZINC000375538715 928414970 /nfs/dbraw/zinc/41/49/70/928414970.db2.gz DVHZPPQEPYXIJS-GOSISDBHSA-N 0 0 397.450 3.798 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)N(C)[C@H]2CCc3ccccc32)c2ccc(F)cc2C1 ZINC000185252321 1014577615 /nfs/dbraw/zinc/57/76/15/1014577615.db2.gz DKUOGMQQEFOPNW-YADHBBJMSA-N 0 0 395.478 3.948 10 0 GHAERN CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 ZINC000001927255 212260224 /nfs/dbraw/zinc/26/02/24/212260224.db2.gz DXEBKUZWZGLJBS-GFCCVEGCSA-N 0 0 377.462 3.902 10 0 GHAERN C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001466592 212247885 /nfs/dbraw/zinc/24/78/85/212247885.db2.gz YBDAJJHEMXCMCU-SECBINFHSA-N 0 0 396.752 3.982 10 0 GHAERN CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2C)c1 ZINC000001341873 212236425 /nfs/dbraw/zinc/23/64/25/212236425.db2.gz SZEOGUBNOIXRLP-LJQANCHMSA-N 0 0 380.448 3.588 10 0 GHAERN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccno1)c1cccnc1 ZINC000001353774 212236443 /nfs/dbraw/zinc/23/64/43/212236443.db2.gz QFIIDWDLLNVVIQ-HXUWFJFHSA-N 0 0 390.443 3.517 10 0 GHAERN Cc1c(C)n(Cc2cccc(Cl)c2)c(N)c1S(=O)(=O)c1ccccn1 ZINC000001047509 212209996 /nfs/dbraw/zinc/20/99/96/212209996.db2.gz NUBWAJYGADFYGA-UHFFFAOYSA-N 0 0 375.881 3.617 10 0 GHAERN COc1ccc(-c2cc(-c3ccc(OC)cc3OC)nc3ncnc(N)c32)cc1 ZINC000009694546 221090554 /nfs/dbraw/zinc/09/05/54/221090554.db2.gz YKJKTTIIBQZEQL-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN Cc1cc(C)n(CC(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)n1 ZINC000011667939 221120456 /nfs/dbraw/zinc/12/04/56/221120456.db2.gz GJGRCPUHNHJYCM-QHCPKHFHSA-N 0 0 385.471 3.551 10 0 GHAERN O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1F)c1[nH]nc2ccccc21 ZINC000012434045 221193455 /nfs/dbraw/zinc/19/34/55/221193455.db2.gz UATLNKOXURAFPQ-INIZCTEOSA-N 0 0 393.397 3.834 10 0 GHAERN Cc1ccc2c(c1)CCCN2C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000014423186 221309384 /nfs/dbraw/zinc/30/93/84/221309384.db2.gz XBLFNCKJMIPUGT-UHFFFAOYSA-N 0 0 380.463 3.966 10 0 GHAERN COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NC4CCCC4)CC3)[nH]c2c1 ZINC000015868596 221351434 /nfs/dbraw/zinc/35/14/34/221351434.db2.gz GETIEUFLQNELHB-OAHLLOKOSA-N 0 0 397.519 3.724 10 0 GHAERN Cc1cc(NC(=O)c2noc(C)c2COc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000017080523 221378774 /nfs/dbraw/zinc/37/87/74/221378774.db2.gz TXPKVYJPJURULM-UHFFFAOYSA-N 0 0 394.353 3.875 10 0 GHAERN CC[C@H](C)NC(=O)c1cnc(COc2ccc(OC)cc2)nc1-c1ccncc1 ZINC000033300954 221785147 /nfs/dbraw/zinc/78/51/47/221785147.db2.gz GWNIOMNJHLPNRJ-HNNXBMFYSA-N 0 0 392.459 3.655 10 0 GHAERN Cc1ccc(C(=O)NC2CCN(c3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000037524511 221873428 /nfs/dbraw/zinc/87/34/28/221873428.db2.gz LYZFVKZGDPJLOV-UHFFFAOYSA-N 0 0 391.515 3.630 10 0 GHAERN Cc1ccccc1C(=O)N[C@H](c1nnc(N2CCCCC2)o1)c1ccccc1 ZINC000065209631 222111205 /nfs/dbraw/zinc/11/12/05/222111205.db2.gz DSIRSCJXUNLZJW-IBGZPJMESA-N 0 0 376.460 3.888 10 0 GHAERN Cc1nc(-c2cn(C(C)C)c3ncccc23)sc1C(=O)NC[C@@H]1CCCO1 ZINC000065240919 222114303 /nfs/dbraw/zinc/11/43/03/222114303.db2.gz NMWMGZUVURWNCB-AWEZNQCLSA-N 0 0 384.505 3.958 10 0 GHAERN CC(C)(C)OC(=O)N1CCC([S@](=O)c2nc3ccccc3nc2Cl)CC1 ZINC000095083638 222328523 /nfs/dbraw/zinc/32/85/23/222328523.db2.gz UWQAQNULBDAJFN-AREMUKBSSA-N 0 0 395.912 3.790 10 0 GHAERN CC(C)CCC[C@H](C)NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 ZINC000094993065 222329279 /nfs/dbraw/zinc/32/92/79/222329279.db2.gz SFCNLHFNSUGWFK-VIQWUECVSA-N 0 0 398.551 3.929 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074908 222329337 /nfs/dbraw/zinc/32/93/37/222329337.db2.gz FCVDCLKLGJCYSM-LBPRGKRZSA-N 0 0 375.300 3.615 10 0 GHAERN CC(C)(C)OC(=O)N1[C@H](c2cc(F)c(F)c(F)c2)COC[C@@H]1CCCCO ZINC000095079937 222329529 /nfs/dbraw/zinc/32/95/29/222329529.db2.gz BKWPGCZQXAXUAQ-BBRMVZONSA-N 0 0 389.414 3.944 10 0 GHAERN CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075344 222329605 /nfs/dbraw/zinc/32/96/05/222329605.db2.gz CLXJBNSMJKKWJR-LBPRGKRZSA-N 0 0 375.300 3.615 10 0 GHAERN COc1ccc(-c2cc(=O)[nH]c(NCc3cccc(Br)c3)n2)cc1 ZINC000057341452 523090411 /nfs/dbraw/zinc/09/04/11/523090411.db2.gz YRHMAGTUNQYBQG-UHFFFAOYSA-N 0 0 386.249 3.820 10 0 GHAERN CC(C)(C)OC(=O)N1CCC2(CNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000091353180 526396015 /nfs/dbraw/zinc/39/60/15/526396015.db2.gz JNTNTUCDODHOSZ-OAHLLOKOSA-N 0 0 398.425 3.936 10 0 GHAERN COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[C@H]2C)cc(OC)c1OC ZINC000003627631 538555056 /nfs/dbraw/zinc/55/50/56/538555056.db2.gz GTSSTJMQLVKDPC-CQSZACIVSA-N 0 0 398.459 3.589 10 0 GHAERN COc1cc(/C=C/C(=O)NC(=S)Nc2ccc(C)cc2)cc(OC)c1OC ZINC000020353067 570252574 /nfs/dbraw/zinc/25/25/74/570252574.db2.gz NAGNUNHZUNHEQT-JXMROGBWSA-N 0 0 386.473 3.547 10 0 GHAERN COc1cccc([C@@H]2CN(C(=O)C(C)C)C[C@@H]2C(=O)N(C)Cc2ccccc2)c1 ZINC000036060383 570524689 /nfs/dbraw/zinc/52/46/89/570524689.db2.gz VQDVNEWLHHALHS-VXKWHMMOSA-N 0 0 394.515 3.552 10 0 GHAERN C[C@H]1CCCCN1C(=O)[C@@H](C1CCCC1)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000036250241 570585231 /nfs/dbraw/zinc/58/52/31/570585231.db2.gz SRVIETLJXKJGAO-GHTZIAJQSA-N 0 0 391.600 3.527 10 0 GHAERN COc1cccc(N2C(=O)CN(C(=O)c3ccc(-c4ccco4)cc3)C[C@@H]2C)c1 ZINC000012452182 570668264 /nfs/dbraw/zinc/66/82/64/570668264.db2.gz QYETXVQUVPFUAP-INIZCTEOSA-N 0 0 390.439 3.833 10 0 GHAERN CCc1nsc(N2CCC3(C[C@@H]3N(Cc3ccsc3)C(C)=O)CC2)n1 ZINC000275809284 570699805 /nfs/dbraw/zinc/69/98/05/570699805.db2.gz TZTDKBXCNLERDR-HNNXBMFYSA-N 0 0 376.551 3.570 10 0 GHAERN CCOC(=O)c1ccc(NCN2C(=O)S/C(=C/c3ccc(C)o3)C2=O)cc1 ZINC000004534624 570847215 /nfs/dbraw/zinc/84/72/15/570847215.db2.gz TUDRKUSVMLBYOE-MHWRWJLKSA-N 0 0 386.429 3.871 10 0 GHAERN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332836594 837445381 /nfs/dbraw/zinc/44/53/81/837445381.db2.gz JASJNHHAJXKXTF-ZXNXBHHTSA-N 0 0 382.504 3.888 10 0 GHAERN CC(C)[C@H]1CCCC[C@@H]1NC(=O)NC1CCC(C(=O)N2CCSCC2)CC1 ZINC000103313730 837732854 /nfs/dbraw/zinc/73/28/54/837732854.db2.gz YCQDMQWXWQHKAL-GMNCBBECSA-N 0 0 395.613 3.635 10 0 GHAERN CC(C)(C)[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)c1cccs1 ZINC000156992728 834678861 /nfs/dbraw/zinc/67/88/61/834678861.db2.gz QWTWRWIAPJIMPB-GOSISDBHSA-N 0 0 390.553 3.613 10 0 GHAERN Cc1nc([C@H]2CCCN2C(=O)NC2CCN(c3ccc(C)cn3)CC2)cs1 ZINC000186819214 834690937 /nfs/dbraw/zinc/69/09/37/834690937.db2.gz QTQDOXZGJHETOQ-GOSISDBHSA-N 0 0 385.537 3.670 10 0 GHAERN O=C(Nc1nc2ccccc2s1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000010203197 834706106 /nfs/dbraw/zinc/70/61/06/834706106.db2.gz ALHQRGWXWCIJHL-UHFFFAOYSA-N 0 0 386.521 3.943 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cnn(CC(C)C)c3C3CC3)CC2)n1 ZINC000157121679 834763357 /nfs/dbraw/zinc/76/33/57/834763357.db2.gz AWNOEDIJOAFYBK-UHFFFAOYSA-N 0 0 381.524 3.519 10 0 GHAERN O=C(c1noc2c1CCCCC2)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000278351553 834778348 /nfs/dbraw/zinc/77/83/48/834778348.db2.gz GOZHWXUDSONQGN-LLVKDONJSA-N 0 0 382.386 3.705 10 0 GHAERN O=C1[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)N1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000329391760 834958964 /nfs/dbraw/zinc/95/89/64/834958964.db2.gz VNJPTJJFDOISCC-BPUTZDHNSA-N 0 0 390.867 3.597 10 0 GHAERN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccccc1Br ZINC000049080528 834980209 /nfs/dbraw/zinc/98/02/09/834980209.db2.gz ZIBVPHUCWKQFCG-IUODEOHRSA-N 0 0 391.265 3.524 10 0 GHAERN CCC[C@@H](NC(=O)N1CCN([C@H](C)c2nc(C)no2)CC1)C1CCCCC1 ZINC000111854680 835003399 /nfs/dbraw/zinc/00/33/99/835003399.db2.gz ZZXPDPLRXYRSAZ-CRAIPNDOSA-N 0 0 377.533 3.515 10 0 GHAERN Cc1cnn(C[C@@H]2CN(C(=O)Nc3ccc4nc(C(C)C)sc4c3)CCO2)c1 ZINC000112126228 835051615 /nfs/dbraw/zinc/05/16/15/835051615.db2.gz YCPZJKVSXFNHBN-INIZCTEOSA-N 0 0 399.520 3.858 10 0 GHAERN CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000007690016 835109442 /nfs/dbraw/zinc/10/94/42/835109442.db2.gz VKCIRAZLMQPQKK-VQIMIIECSA-N 0 0 378.538 3.512 10 0 GHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC(c2ccnn2CCO)CC1 ZINC000157875198 835133401 /nfs/dbraw/zinc/13/34/01/835133401.db2.gz FYCBNIJBVDWNIR-GOSISDBHSA-N 0 0 398.551 3.521 10 0 GHAERN Cc1ccc(NC(=O)C(=O)Nc2cccc(-c3ncon3)c2)cc1C(F)(F)F ZINC000119987715 844025445 /nfs/dbraw/zinc/02/54/45/844025445.db2.gz UFGJNWDUOXTEDX-UHFFFAOYSA-N 0 0 390.321 3.641 10 0 GHAERN COCCN(Cc1sccc1Br)C(=O)/C=C\c1cncc(F)c1 ZINC000588586403 835231332 /nfs/dbraw/zinc/23/13/32/835231332.db2.gz ONEWZFLYHUFUKW-IHWYPQMZSA-N 0 0 399.285 3.733 10 0 GHAERN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2cccc(-c3ncon3)c2)cc1 ZINC000101524890 835302284 /nfs/dbraw/zinc/30/22/84/835302284.db2.gz VKQFKCWSIYWETC-OAHLLOKOSA-N 0 0 379.416 3.664 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3ccccc3CSc3nc[nH]n3)CC2)n1 ZINC000158291787 835307798 /nfs/dbraw/zinc/30/77/98/835307798.db2.gz RRKMFLSPPGDBPX-UHFFFAOYSA-N 0 0 399.545 3.882 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3csc(-c4nc[nH]n4)n3)C2)n1 ZINC000329643193 835511764 /nfs/dbraw/zinc/51/17/64/835511764.db2.gz IBRUPDZMUQVJJL-LLVKDONJSA-N 0 0 388.522 3.528 10 0 GHAERN O=C(Nc1ccc(OCc2ccccc2F)cc1)N1CCC(n2cncn2)CC1 ZINC000101751437 835551963 /nfs/dbraw/zinc/55/19/63/835551963.db2.gz IRGJXKNFSWNVFZ-UHFFFAOYSA-N 0 0 395.438 3.865 10 0 GHAERN Cc1ccccc1Cc1nnc(CN2CCO[C@]3(CCc4ccccc43)C2)o1 ZINC000159147655 835740680 /nfs/dbraw/zinc/74/06/80/835740680.db2.gz KGTWIHUALILYRM-HSZRJFAPSA-N 0 0 375.472 3.643 10 0 GHAERN O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159356747 835816686 /nfs/dbraw/zinc/81/66/86/835816686.db2.gz IZGRYFCNHNOTJL-NSHDSACASA-N 0 0 375.354 3.562 10 0 GHAERN Clc1ccc(-n2cc(-c3nc([C@@H]4CN5CCCC[C@H]5CO4)no3)cn2)cc1 ZINC000329742859 835845845 /nfs/dbraw/zinc/84/58/45/835845845.db2.gz WVLNXMWMUKULSI-IRXDYDNUSA-N 0 0 385.855 3.502 10 0 GHAERN C[C@@H](Oc1cccc2ccccc21)C(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588596771 835926725 /nfs/dbraw/zinc/92/67/25/835926725.db2.gz FXAZOESDMZXRHS-XITLMJRVSA-N 0 0 384.476 3.804 10 0 GHAERN CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 ZINC000246071796 835960887 /nfs/dbraw/zinc/96/08/87/835960887.db2.gz YDJSCYFARHPJDC-BZSNNMDCSA-N 0 0 379.456 3.980 10 0 GHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(Br)c1 ZINC000246151484 835970895 /nfs/dbraw/zinc/97/08/95/835970895.db2.gz QHKORWFVKRIQFX-AEAUEXCSSA-N 0 0 379.298 3.767 10 0 GHAERN C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000332728013 836490356 /nfs/dbraw/zinc/49/03/56/836490356.db2.gz WJKQAMPWCLYAGL-MEDUHNTESA-N 0 0 396.318 3.823 10 0 GHAERN O=C(N[C@H]1CCC(=O)NC12CCC2)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000332723363 836499508 /nfs/dbraw/zinc/49/95/08/836499508.db2.gz OUNYCVHNAKUBOX-RTWAWAEBSA-N 0 0 389.499 3.545 10 0 GHAERN CC(C)c1nc([C@H]2COCCN2C(=O)N[C@@H]2c3ccccc3CCC2(C)C)no1 ZINC000332874405 836833080 /nfs/dbraw/zinc/83/30/80/836833080.db2.gz JFZGOKXZZIFSDL-QZTJIDSGSA-N 0 0 398.507 3.990 10 0 GHAERN O=C(NCc1ccc(N2CCCC2)nc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000103178227 837273525 /nfs/dbraw/zinc/27/35/25/837273525.db2.gz AWQZIIXZMASIMN-JOCHJYFZSA-N 0 0 387.487 3.666 10 0 GHAERN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000142240285 844289806 /nfs/dbraw/zinc/28/98/06/844289806.db2.gz WNPMIGJMRJVXMR-UHFFFAOYSA-N 0 0 390.226 3.761 10 0 GHAERN O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408063458 838554045 /nfs/dbraw/zinc/55/40/45/838554045.db2.gz IWJSTIBUBZTXLY-APHBMKBZSA-N 0 0 397.302 3.867 10 0 GHAERN Cn1c2c(nc1[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1F)CCCC2 ZINC000408018086 838631677 /nfs/dbraw/zinc/63/16/77/838631677.db2.gz PKYUYVHRFVLOFO-MRXNPFEDSA-N 0 0 397.903 3.617 10 0 GHAERN O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(c2nnc3ccccn32)CC1 ZINC000408021338 838661270 /nfs/dbraw/zinc/66/12/70/838661270.db2.gz QGDFZIKAYMSKTD-CABCVRRESA-N 0 0 380.414 3.804 10 0 GHAERN Cn1cc([C@H]2CCN(C(=O)NCC3(c4c(F)cccc4F)CCCC3)C2)cn1 ZINC000116540893 839296300 /nfs/dbraw/zinc/29/63/00/839296300.db2.gz VJNJNVLZMWPZEM-HNNXBMFYSA-N 0 0 388.462 3.709 10 0 GHAERN CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc([C@H]3C[C@@H]3C)o2)CC12CCCCC2 ZINC000408044437 839445924 /nfs/dbraw/zinc/44/59/24/839445924.db2.gz UZKBXHUSRSOWMF-DSLXNQLJSA-N 0 0 384.520 3.900 10 0 GHAERN Cc1noc([C@@H](C)N2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)n1 ZINC000106132486 840646934 /nfs/dbraw/zinc/64/69/34/840646934.db2.gz SDVAMVPNSHYBNM-CQSZACIVSA-N 0 0 385.899 3.767 10 0 GHAERN CC[C@H]1OCCC[C@@H]1C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000277035728 844578818 /nfs/dbraw/zinc/57/88/18/844578818.db2.gz AIZFIDCSZXXMCF-ZWKOTPCHSA-N 0 0 393.915 3.611 10 0 GHAERN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1c1nc(-c2ccccn2)nc2c1CCC2 ZINC000408110557 840872203 /nfs/dbraw/zinc/87/22/03/840872203.db2.gz RQZXAEZIWLVQFY-NYDSKATKSA-N 0 0 378.520 3.937 10 0 GHAERN Cc1nn(-c2ccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc2)c(C)c1Cl ZINC000119371669 841055020 /nfs/dbraw/zinc/05/50/20/841055020.db2.gz HKSHMMVIUZTECD-UWJYYQICSA-N 0 0 387.911 3.910 10 0 GHAERN O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408127852 841075742 /nfs/dbraw/zinc/07/57/42/841075742.db2.gz HEUXECXVLLMTOT-AITUJVMLSA-N 0 0 376.472 3.765 10 0 GHAERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000332886978 844607260 /nfs/dbraw/zinc/60/72/60/844607260.db2.gz BJLPDGMWMCJETE-SJLPKXTDSA-N 0 0 397.523 3.668 10 0 GHAERN O=C(NCc1ccc(Br)c(F)c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408149416 841176679 /nfs/dbraw/zinc/17/66/79/841176679.db2.gz QGZLMKGTZKRFDD-IAOVAPTHSA-N 0 0 399.304 3.813 10 0 GHAERN CCS(=O)(=O)Nc1ccc(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1C ZINC000246446448 841367207 /nfs/dbraw/zinc/36/72/07/841367207.db2.gz MKMOWJODNRFRJG-RVKKMQEKSA-N 0 0 379.526 3.942 10 0 GHAERN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCS[C@H]3CCCC[C@H]32)c1 ZINC000120150877 841435476 /nfs/dbraw/zinc/43/54/76/841435476.db2.gz BOFOYBYRBSYAHN-CVEARBPZSA-N 0 0 381.929 3.934 10 0 GHAERN Cc1ccc(NC(=O)/C=C\c2ccnc(Cl)c2)cc1-c1nnnn1C1CC1 ZINC000588427979 842206702 /nfs/dbraw/zinc/20/67/02/842206702.db2.gz QLISGXPZAHVISM-CLTKARDFSA-N 0 0 380.839 3.684 10 0 GHAERN CC1([C@@H]2CCCN(C(=O)/C=C\c3ccc4ccc(Cl)cc4n3)C2)OCCO1 ZINC000588428548 842233937 /nfs/dbraw/zinc/23/39/37/842233937.db2.gz AJNXCVVOVQILPY-HLRDLLSLSA-N 0 0 386.879 3.903 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)n1 ZINC000328841145 842482234 /nfs/dbraw/zinc/48/22/34/842482234.db2.gz PHMCEXJUFTVWRC-YOEHRIQHSA-N 0 0 387.480 3.697 10 0 GHAERN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)C1 ZINC000408328640 842513299 /nfs/dbraw/zinc/51/32/99/842513299.db2.gz BOTKYRMNWICCOM-RBSFLKMASA-N 0 0 391.478 3.690 10 0 GHAERN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000588434686 842520003 /nfs/dbraw/zinc/52/00/03/842520003.db2.gz UBXGPMIRPADCJL-SREVYHEPSA-N 0 0 383.492 3.857 10 0 GHAERN O=C(/C=C\c1ccncn1)Nc1sc2c(c1C(=O)c1ccccc1)CCC2 ZINC000588441083 842751208 /nfs/dbraw/zinc/75/12/08/842751208.db2.gz RZOIKJANGUUKRU-KTKRTIGZSA-N 0 0 375.453 3.910 10 0 GHAERN Cc1ccc(Br)cc1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000408208796 842824247 /nfs/dbraw/zinc/82/42/47/842824247.db2.gz OZPJHABHFUWGOP-RCCFBDPRSA-N 0 0 395.341 3.983 10 0 GHAERN Cc1csc(C2CCN(C(=O)c3cc(N4CCCC4=O)ccc3F)CC2)n1 ZINC000163099188 842964235 /nfs/dbraw/zinc/96/42/35/842964235.db2.gz LPBPIXOITBTZAJ-UHFFFAOYSA-N 0 0 387.480 3.737 10 0 GHAERN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123874794 843230634 /nfs/dbraw/zinc/23/06/34/843230634.db2.gz XLZKACKJNFMBJM-INIZCTEOSA-N 0 0 394.523 3.947 10 0 GHAERN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)CC1=O ZINC000328979670 843285976 /nfs/dbraw/zinc/28/59/76/843285976.db2.gz CXZCJMKYXQLJBG-RQKICWOHSA-N 0 0 398.547 3.528 10 0 GHAERN Cc1cccnc1/C=C\C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000588452344 843308934 /nfs/dbraw/zinc/30/89/34/843308934.db2.gz KYPXZNDFVIRUMQ-KTKRTIGZSA-N 0 0 376.391 3.828 10 0 GHAERN O=C(c1cc(Cl)nc(N2CCCC2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000112634952 843356205 /nfs/dbraw/zinc/35/62/05/843356205.db2.gz JMOQIPSSPYMUMO-CYBMUJFWSA-N 0 0 376.913 3.812 10 0 GHAERN Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c12 ZINC000121588669 843464510 /nfs/dbraw/zinc/46/45/10/843464510.db2.gz WTSMFQWORRIXJU-HXOBKFHXSA-N 0 0 391.471 3.965 10 0 GHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000408265914 843671115 /nfs/dbraw/zinc/67/11/15/843671115.db2.gz VEARXCMCLBAEPD-SQWLQELKSA-N 0 0 389.462 3.588 10 0 GHAERN C[C@]1(Cc2ccccc2)CCCN1C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000588480074 844879959 /nfs/dbraw/zinc/87/99/59/844879959.db2.gz ZMUYXDFOICHUTJ-QOYCNBSOSA-N 0 0 398.528 3.695 10 0 GHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCOC2(CCCCC2)C1 ZINC000332978023 845220898 /nfs/dbraw/zinc/22/08/98/845220898.db2.gz JCHGYTCIDCFMRY-YSIASYRMSA-N 0 0 386.536 3.829 10 0 GHAERN CC[C@H](C(=O)N1C[C@H](OC)C[C@H]1c1nc(C)no1)c1cccc(C(F)(F)F)c1 ZINC000248826898 845450713 /nfs/dbraw/zinc/45/07/13/845450713.db2.gz GXPQNPYOKQNLMU-PMPSAXMXSA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)[C@H](C)Sc2ccccc2Cl)C1 ZINC000248968552 845482363 /nfs/dbraw/zinc/48/23/63/845482363.db2.gz OSOMKWXWHIOAHZ-SUHUHFCYSA-N 0 0 381.885 3.501 10 0 GHAERN Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)c2)n1 ZINC000151685642 845498102 /nfs/dbraw/zinc/49/81/02/845498102.db2.gz NSRWIBZOVZKAOW-OAQYLSRUSA-N 0 0 379.460 3.663 10 0 GHAERN Cc1c(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)nnn1-c1cccc2ncccc21 ZINC000333520195 845680108 /nfs/dbraw/zinc/68/01/08/845680108.db2.gz NSEXSRCUPCUMCN-UMYFYFFOSA-N 0 0 387.487 3.632 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000104980498 845920661 /nfs/dbraw/zinc/92/06/61/845920661.db2.gz MWXHXWMKFXJBBY-UHFFFAOYSA-N 0 0 397.447 3.565 10 0 GHAERN O=C(/C=C\c1ccnc2ccccc12)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000588494771 846091200 /nfs/dbraw/zinc/09/12/00/846091200.db2.gz LBZIAJPXNRTOBH-HJWRWDBZSA-N 0 0 390.458 3.983 10 0 GHAERN CC(=O)N(c1nc(/C=C/C(=O)N2CCOCC23CCC3)cs1)c1ccccc1 ZINC000152030816 846161903 /nfs/dbraw/zinc/16/19/03/846161903.db2.gz ZSYVNEXQGFXTAY-CMDGGOBGSA-N 0 0 397.500 3.622 10 0 GHAERN C[C@@]12CN(C(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333527265 846166876 /nfs/dbraw/zinc/16/68/76/846166876.db2.gz PGLAETWFOUPYLE-VAOGDNLBSA-N 0 0 398.475 3.928 10 0 GHAERN CN(C(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCCN(c2cccnn2)C1 ZINC000152345167 846726461 /nfs/dbraw/zinc/72/64/61/846726461.db2.gz CECCWGPBFNEXCP-MAUKXSAKSA-N 0 0 387.553 3.936 10 0 GHAERN CCn1c(N2CCC[C@@H]2c2noc(C)n2)nnc1C12CC3CC(CC(C3)C1)C2 ZINC000329610659 861772266 /nfs/dbraw/zinc/77/22/66/861772266.db2.gz NUOVPVJIQXDBSQ-JRQWYPPZSA-N 0 0 382.512 3.799 10 0 GHAERN C[C@H]1CN(C(=O)NC2CCN(c3cccs3)CC2)C[C@@H](c2ccsc2)O1 ZINC000152560993 847315403 /nfs/dbraw/zinc/31/54/03/847315403.db2.gz NXGLUEVQIJUGFS-YOEHRIQHSA-N 0 0 391.562 3.950 10 0 GHAERN Cn1cc([C@H](NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2)c2ccc(F)cc2)cn1 ZINC000333633381 847616074 /nfs/dbraw/zinc/61/60/74/847616074.db2.gz RGNKBWQBZGYDBE-LEQQURNDSA-N 0 0 382.483 3.726 10 0 GHAERN COc1cnccc1[C@H](C)NS(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000588544730 848169584 /nfs/dbraw/zinc/16/95/84/848169584.db2.gz UCMHJVNFSGIPKL-CUZBXDDWSA-N 0 0 397.294 3.504 10 0 GHAERN COc1cc(/C=C(\C(=O)N2CC[C@H](C)[C@@H](OC)C2)c2ccccc2)ccc1O ZINC000588552204 848487677 /nfs/dbraw/zinc/48/76/77/848487677.db2.gz JYKCAZABPKYTBH-HUBQLTNZSA-N 0 0 381.472 3.825 10 0 GHAERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(OC[C@H]4CCCO4)cc3)CCO2)o1 ZINC000153529350 848609197 /nfs/dbraw/zinc/60/91/97/848609197.db2.gz FDJOZOLRBJCLRV-QUCCMNQESA-N 0 0 386.448 3.751 10 0 GHAERN Cc1nc(COc2ccc(/C=C/C(=O)N3CC[C@@]4(CCOC4)C3)cc2)cs1 ZINC000153589819 848697858 /nfs/dbraw/zinc/69/78/58/848697858.db2.gz QNKTXIWARGDGAU-HXRGIAOBSA-N 0 0 384.501 3.683 10 0 GHAERN CCc1nnc(-c2ccc(NC(=O)N3CCO[C@H](c4ccc(C)o4)C3)cc2)o1 ZINC000154319420 849239544 /nfs/dbraw/zinc/23/95/44/849239544.db2.gz FDNQDTDPNCMEIG-KRWDZBQOSA-N 0 0 382.420 3.806 10 0 GHAERN Cc1csc([C@@H]2CCCCN2C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n1 ZINC000329126854 849323809 /nfs/dbraw/zinc/32/38/09/849323809.db2.gz YSHJPINAPSTXEK-IBGZPJMESA-N 0 0 395.532 3.945 10 0 GHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000155881779 849675625 /nfs/dbraw/zinc/67/56/25/849675625.db2.gz LCPOYNLULWNDGI-IBGZPJMESA-N 0 0 381.476 3.852 10 0 GHAERN O=C(Nc1ccc2c(n1)CCCC2=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000333685343 850495365 /nfs/dbraw/zinc/49/53/65/850495365.db2.gz PXMZYURKXPJLAY-OAQYLSRUSA-N 0 0 391.471 3.816 10 0 GHAERN CCCn1cc(CN2CCCN(C(=O)N[C@H]3CCCc4ccccc43)CC2)cn1 ZINC000119643567 851363663 /nfs/dbraw/zinc/36/36/63/851363663.db2.gz PPLRYTXLSGCYAP-QFIPXVFZSA-N 0 0 395.551 3.588 10 0 GHAERN CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1)CC2 ZINC000170811527 851367983 /nfs/dbraw/zinc/36/79/83/851367983.db2.gz BRHSHHWGXPZFRS-MGPQQGTHSA-N 0 0 393.318 3.943 10 0 GHAERN COc1ccccc1N1CC[C@H](CNC(=O)[C@@]2(C)CCCc3ccccc32)C1 ZINC000101517516 851634282 /nfs/dbraw/zinc/63/42/82/851634282.db2.gz VEJLRRXYCSMXQH-KOSHJBKYSA-N 0 0 378.516 3.932 10 0 GHAERN Cc1nn(C)c(C)c1CCNC(=O)N(C)CCCc1cc(-c2ccccc2)no1 ZINC000101606886 851726484 /nfs/dbraw/zinc/72/64/84/851726484.db2.gz PMPYSQNGIFGUIW-UHFFFAOYSA-N 0 0 395.507 3.509 10 0 GHAERN CCCCCc1nnc(NC(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)s1 ZINC000101739451 851859161 /nfs/dbraw/zinc/85/91/61/851859161.db2.gz DPGAJCRTXYRQDF-AWEZNQCLSA-N 0 0 395.573 3.675 10 0 GHAERN Cc1csc([C@H]2CCCN(CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982870 852526361 /nfs/dbraw/zinc/52/63/61/852526361.db2.gz ZJZGMPHLDSJPGQ-ZDUSSCGKSA-N 0 0 376.551 3.605 10 0 GHAERN CC(=O)N1C[C@@H](CCC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c2ccccc21 ZINC000329846871 862369370 /nfs/dbraw/zinc/36/93/70/862369370.db2.gz QXGBXKGEOFUHGI-XLIONFOSSA-N 0 0 380.492 3.621 10 0 GHAERN CC(C)[C@H]1N(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)CC12CCCC2 ZINC000333967208 853285721 /nfs/dbraw/zinc/28/57/21/853285721.db2.gz RSYMMUBOZZWHRG-FUHWJXTLSA-N 0 0 376.522 3.515 10 0 GHAERN C[C@]1(c2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)NC(=O)NC1=O ZINC000329962225 862462375 /nfs/dbraw/zinc/46/23/75/862462375.db2.gz PDRLLRPWWKRXAG-OPAMFIHVSA-N 0 0 393.443 3.818 10 0 GHAERN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nccs3)C2)C1 ZINC000171645255 853511333 /nfs/dbraw/zinc/51/13/33/853511333.db2.gz TUWFTEGPVUDICI-DLBZAZTESA-N 0 0 398.532 3.793 10 0 GHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000157580068 854273647 /nfs/dbraw/zinc/27/36/47/854273647.db2.gz DHPXYWGBGHGUJS-LJQANCHMSA-N 0 0 392.503 3.750 10 0 GHAERN O=C1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C2(CCC2)N1 ZINC000328743935 854525088 /nfs/dbraw/zinc/52/50/88/854525088.db2.gz NQDXFCYLMCPMSU-LBPRGKRZSA-N 0 0 396.818 3.679 10 0 GHAERN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000330113664 862583818 /nfs/dbraw/zinc/58/38/18/862583818.db2.gz DDYGECOSHHRZGA-BZUAXINKSA-N 0 0 393.516 3.870 10 0 GHAERN Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCCN(C)[C@H]4C3)cc2)cc1 ZINC000328957386 854615968 /nfs/dbraw/zinc/61/59/68/854615968.db2.gz NYFMKZIBPAIWOE-LEWJYISDSA-N 0 0 381.476 3.724 10 0 GHAERN CCc1nccn1[C@@H]1CCCN(c2ccnc(N[C@@H]3CCCO[C@H]3C(C)C)n2)C1 ZINC000330126024 862596092 /nfs/dbraw/zinc/59/60/92/862596092.db2.gz IPAWIQBCHWPIQZ-OPYAIIAOSA-N 0 0 398.555 3.693 10 0 GHAERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccccc2F)cc1 ZINC000105972964 855159703 /nfs/dbraw/zinc/15/97/03/855159703.db2.gz GKDMBPIDOXWOJE-KDOFPFPSSA-N 0 0 392.434 3.917 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cs1 ZINC000190004019 855404224 /nfs/dbraw/zinc/40/42/24/855404224.db2.gz NRKOAEVMJRVVAW-RDJZCZTQSA-N 0 0 389.908 3.822 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(OC3CCCCC3)cc2)C[C@H]1C ZINC000190456813 855466023 /nfs/dbraw/zinc/46/60/23/855466023.db2.gz AMYRAORZFSVKIU-UZLBHIALSA-N 0 0 388.508 3.739 10 0 GHAERN Cc1ccc(Cl)cc1CNC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000190526239 855478233 /nfs/dbraw/zinc/47/82/33/855478233.db2.gz MDQFMHUOPZPGRS-QAPCUYQASA-N 0 0 380.822 3.944 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCO[C@H](c2ccsc2)C1 ZINC000180995813 855516087 /nfs/dbraw/zinc/51/60/87/855516087.db2.gz NLXXOYLPWYFMFB-FGTMMUONSA-N 0 0 394.443 3.639 10 0 GHAERN Nc1cc2c(cc1NC(=O)CCc1ncc(-c3ccc(F)cc3F)o1)OCO2 ZINC000159440677 862691985 /nfs/dbraw/zinc/69/19/85/862691985.db2.gz WVEUBLWVVUSPRB-UHFFFAOYSA-N 0 0 387.342 3.502 10 0 GHAERN Cc1cc2cc(C(=O)N[C@@H](C)C(=O)N3CCCCC3)oc2c(Br)c1 ZINC000181395757 855559761 /nfs/dbraw/zinc/55/97/61/855559761.db2.gz KEHAZEBZEFGOFF-LBPRGKRZSA-N 0 0 393.281 3.635 10 0 GHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)CCO1 ZINC000183404304 855780598 /nfs/dbraw/zinc/78/05/98/855780598.db2.gz CIRZHQPIYLZHDI-UWWQBHOKSA-N 0 0 376.522 3.590 10 0 GHAERN O=C(Nc1ccccc1O)C1CCN(C(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000193232900 855876326 /nfs/dbraw/zinc/87/63/26/855876326.db2.gz DEXSMXBHKADJSP-UHFFFAOYSA-N 0 0 397.519 3.577 10 0 GHAERN O=C(Nc1ccc(Cl)cc1Cl)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000156344481 856013213 /nfs/dbraw/zinc/01/32/13/856013213.db2.gz UXWMRFLJNJOXGF-CQSZACIVSA-N 0 0 388.320 3.565 10 0 GHAERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)NC1CCC(c3ccccc3)CC1)CC2 ZINC000156168056 856082817 /nfs/dbraw/zinc/08/28/17/856082817.db2.gz FMPXUVCXBUCCME-ACBHZAAOSA-N 0 0 381.524 3.742 10 0 GHAERN CC(=O)N1CCC(C(=O)N(C)Cc2ccc(Cl)cc2)(c2ccccc2)CC1 ZINC000032982268 856266461 /nfs/dbraw/zinc/26/64/61/856266461.db2.gz LDKYWXQBKPVRGP-UHFFFAOYSA-N 0 0 384.907 3.879 10 0 GHAERN Cc1ccc(OCCN(C)CC(=O)N[C@H](c2nccs2)c2ccccc2)cc1 ZINC000104097085 856309632 /nfs/dbraw/zinc/30/96/32/856309632.db2.gz OMPOBYRBSWECCK-NRFANRHFSA-N 0 0 395.528 3.668 10 0 GHAERN Cc1ccc(C(=O)N2CCN(C(=O)NC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000045481584 856730626 /nfs/dbraw/zinc/73/06/26/856730626.db2.gz BIGYQEBJMGVPNW-UHFFFAOYSA-N 0 0 397.441 3.584 10 0 GHAERN Cc1ccn2c(c1)ncc(C(=O)N[C@H]1CC3(CCCC3)Oc3ccccc31)c2=O ZINC000129853922 858011253 /nfs/dbraw/zinc/01/12/53/858011253.db2.gz NALCSMQIILLTHP-SFHVURJKSA-N 0 0 389.455 3.569 10 0 GHAERN O=C(N[C@H]1CCCc2occc21)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000332998880 859043336 /nfs/dbraw/zinc/04/33/36/859043336.db2.gz GDOOPIUXEGQWNO-AEFFLSMTSA-N 0 0 396.491 3.515 10 0 GHAERN O=C(NC1CCC(C(F)(F)F)CC1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000162959289 859862168 /nfs/dbraw/zinc/86/21/68/859862168.db2.gz RWURZGISSWGXQT-HSBZDZAISA-N 0 0 385.434 3.692 10 0 GHAERN COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000015627161 860138564 /nfs/dbraw/zinc/13/85/64/860138564.db2.gz SJYZLIIRXQHWJS-MJGOQNOKSA-N 0 0 382.485 3.862 10 0 GHAERN Cc1cnn(C[C@H]2CN(C(=O)N[C@H](c3ccccc3)C3CCCC3)CCO2)c1 ZINC000171918876 860430053 /nfs/dbraw/zinc/43/00/53/860430053.db2.gz JAFDBRRLOUXMDI-NHCUHLMSSA-N 0 0 382.508 3.533 10 0 GHAERN CCC(CC)c1nnc(NC(=O)N2CCN(Cc3cnc(C)s3)CC2)s1 ZINC000171887374 860430117 /nfs/dbraw/zinc/43/01/17/860430117.db2.gz WWUPSCSKTAWUQM-UHFFFAOYSA-N 0 0 394.570 3.556 10 0 GHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000172435783 860432836 /nfs/dbraw/zinc/43/28/36/860432836.db2.gz QAVYADXZDFOLGS-FXAWDEMLSA-N 0 0 381.524 3.971 10 0 GHAERN COc1ccc(NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)c(OC)c1 ZINC000102567689 860778696 /nfs/dbraw/zinc/77/86/96/860778696.db2.gz MMNHZATZBNPRJA-UHFFFAOYSA-N 0 0 385.395 3.862 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000102718440 860830815 /nfs/dbraw/zinc/83/08/15/860830815.db2.gz VTDPIUDPNRQBHI-KRWDZBQOSA-N 0 0 390.530 3.601 10 0 GHAERN CCOc1ccc([C@@H](NC(=O)[C@@H]2CSCN2C(=O)CC)c2ccccc2)cc1 ZINC000102720590 860831795 /nfs/dbraw/zinc/83/17/95/860831795.db2.gz KYMNLWORFAKQJC-FPOVZHCZSA-N 0 0 398.528 3.602 10 0 GHAERN C[C@H](NS(=O)(=O)c1cccc(C(=O)N2CCCC2(C)C)c1)c1ccccc1 ZINC000102920119 860902330 /nfs/dbraw/zinc/90/23/30/860902330.db2.gz DGZUJXNUEXMHLR-INIZCTEOSA-N 0 0 386.517 3.741 10 0 GHAERN C[C@@H](NC(=O)C[S@](=O)Cc1coc(-c2ccc(F)cc2)n1)c1cccs1 ZINC000103224316 863912883 /nfs/dbraw/zinc/91/28/83/863912883.db2.gz UITFXTAFUDIDJM-RYZVSIALSA-N 0 0 392.477 3.668 10 0 GHAERN O=C(Cn1cnc2ccccc2c1=O)N[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000104462633 864326904 /nfs/dbraw/zinc/32/69/04/864326904.db2.gz VNANTMMVPTZRIC-FQEVSTJZSA-N 0 0 381.863 3.708 10 0 GHAERN CCCN(CCC)C(=O)CCC(=O)NCc1cc(F)cc(Br)c1 ZINC000104859093 864657727 /nfs/dbraw/zinc/65/77/27/864657727.db2.gz NIRQLIPQFVGTRC-UHFFFAOYSA-N 0 0 387.293 3.633 10 0 GHAERN O[C@]12CCCC[C@H]1CN(Cc1nc(-c3cc(Br)cs3)no1)CC2 ZINC000248217893 864963408 /nfs/dbraw/zinc/96/34/08/864963408.db2.gz ZZVFBINMDGZEFI-ZBEGNZNMSA-N 0 0 398.326 3.688 10 0 GHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)o1 ZINC000248412481 865015414 /nfs/dbraw/zinc/01/54/14/865015414.db2.gz JOROSTWQGLHSFA-PVAVHDDUSA-N 0 0 385.512 3.801 10 0 GHAERN CC(C)(C)n1ncc2c1nc(N1CCC[C@@H](COc3ccccc3)C1)[nH]c2=O ZINC000301275574 865259870 /nfs/dbraw/zinc/25/98/70/865259870.db2.gz IRASSQDXKZRQPW-OAHLLOKOSA-N 0 0 381.480 3.582 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000109668705 866600691 /nfs/dbraw/zinc/60/06/91/866600691.db2.gz BVMLRLGIQIQNQT-PMACEKPBSA-N 0 0 383.492 3.572 10 0 GHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000114569798 866768656 /nfs/dbraw/zinc/76/86/56/866768656.db2.gz WRXHQDQAQKCHGK-UXHICEINSA-N 0 0 398.507 3.964 10 0 GHAERN Cc1cc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)nn1-c1ccccc1Cl ZINC000180146238 866814572 /nfs/dbraw/zinc/81/45/72/866814572.db2.gz QMQGJMKHFQYAIV-FOIQADDNSA-N 0 0 388.899 3.993 10 0 GHAERN Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4nccs4)C3)c12 ZINC000170890219 882067400 /nfs/dbraw/zinc/06/74/00/882067400.db2.gz YERGAHJQWLLGIH-AWEZNQCLSA-N 0 0 381.505 3.630 10 0 GHAERN O=C(NCc1cccnc1-n1cncn1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000170891532 882069262 /nfs/dbraw/zinc/06/92/62/882069262.db2.gz HZLGTJHJRYHZNE-UHFFFAOYSA-N 0 0 396.882 3.584 10 0 GHAERN O=C(Cc1ccccc1C(F)(F)F)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000170918455 882080604 /nfs/dbraw/zinc/08/06/04/882080604.db2.gz RDQKVEPZOOQHGX-UHFFFAOYSA-N 0 0 396.453 3.889 10 0 GHAERN CC(C)c1cc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c2cnn(C(C)C)c2n1 ZINC000151410763 867446645 /nfs/dbraw/zinc/44/66/45/867446645.db2.gz WVXMHQULRGKJSP-AOMKIAJQSA-N 0 0 384.524 3.903 10 0 GHAERN Cc1csc(C2CCN(C(=O)C3CCN(c4ccc(C)cn4)CC3)CC2)n1 ZINC000171220727 882088810 /nfs/dbraw/zinc/08/88/10/882088810.db2.gz NFMDDBBZMPHZIZ-UHFFFAOYSA-N 0 0 384.549 3.778 10 0 GHAERN Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1F ZINC000151452307 867514573 /nfs/dbraw/zinc/51/45/73/867514573.db2.gz QDEGLQNNMLRNDV-RDJZCZTQSA-N 0 0 389.515 3.875 10 0 GHAERN O=C(CCc1nc(-c2ccsc2)no1)N1CCC(Cc2ccccn2)CC1 ZINC000171615477 882116491 /nfs/dbraw/zinc/11/64/91/882116491.db2.gz APNFDHMUJRKDDM-UHFFFAOYSA-N 0 0 382.489 3.607 10 0 GHAERN O=C(CCc1nnc(-c2ccsc2)o1)N1CCC(Cc2ccccn2)CC1 ZINC000171614150 882116772 /nfs/dbraw/zinc/11/67/72/882116772.db2.gz YIXOVKUPCCDCFM-UHFFFAOYSA-N 0 0 382.489 3.607 10 0 GHAERN COc1cc(/C=C/C(=O)N2CCC[C@@H](c3nccs3)C2)cc(OC)c1OC ZINC000171645816 882121652 /nfs/dbraw/zinc/12/16/52/882121652.db2.gz UNCMNUGOALGHDY-LQYUOIDQSA-N 0 0 388.489 3.588 10 0 GHAERN COc1ccc(CCC(=O)N2CCC(Cc3ccccn3)CC2)c(OC)c1OC ZINC000171610273 882146011 /nfs/dbraw/zinc/14/60/11/882146011.db2.gz IMOYPCMFSGFCFG-UHFFFAOYSA-N 0 0 398.503 3.521 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)NCC[C@H]1c3ccccc3NC1=O)CCC2 ZINC000171898448 882147187 /nfs/dbraw/zinc/14/71/87/882147187.db2.gz RAFCWZFAOAQWCE-YOEHRIQHSA-N 0 0 384.505 3.596 10 0 GHAERN C[C@@H](NC(=O)N1CC[C@H](Nc2ccccc2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000171779530 882160026 /nfs/dbraw/zinc/16/00/26/882160026.db2.gz KCAUYBVZGGHDOR-APWZRJJASA-N 0 0 394.475 3.600 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CCOC2(CCCCC2)C1 ZINC000180980653 868223394 /nfs/dbraw/zinc/22/33/94/868223394.db2.gz ISYKRNCATDYSLM-QZTJIDSGSA-N 0 0 380.435 3.540 10 0 GHAERN O=C(NCc1cccc(CN2CCCC2=O)c1)N1CC=C(c2cccs2)CC1 ZINC000172223757 882188735 /nfs/dbraw/zinc/18/87/35/882188735.db2.gz GXARDACOFNFVOP-UHFFFAOYSA-N 0 0 395.528 3.869 10 0 GHAERN Cc1ccc(C[C@@H](C)NC(=O)C2CCN(C(=O)c3cccs3)CC2)s1 ZINC000172462028 882278074 /nfs/dbraw/zinc/27/80/74/882278074.db2.gz QQQNCJGYQILJSH-CYBMUJFWSA-N 0 0 376.547 3.718 10 0 GHAERN O=C(NC[C@@H](CCO)c1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000172638618 882281560 /nfs/dbraw/zinc/28/15/60/882281560.db2.gz XLUZFSXBOHTXFC-RTBURBONSA-N 0 0 393.487 3.883 10 0 GHAERN CC(C)(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2ncon2)c1)c1ccc(F)cc1 ZINC000172523306 882293049 /nfs/dbraw/zinc/29/30/49/882293049.db2.gz BDWBRLLPDDWIQZ-KRWDZBQOSA-N 0 0 396.422 3.718 10 0 GHAERN CC(C)(CNC(=O)N1CCCN(C(=O)c2cccs2)CC1)c1cccs1 ZINC000114534426 869457684 /nfs/dbraw/zinc/45/76/84/869457684.db2.gz OVZQEGPLWKQMCC-UHFFFAOYSA-N 0 0 391.562 3.645 10 0 GHAERN O=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1nc2ccccc2s1 ZINC000172868460 882315553 /nfs/dbraw/zinc/31/55/53/882315553.db2.gz BAZAEEALDSWBKZ-UHFFFAOYSA-N 0 0 391.861 3.974 10 0 GHAERN Cc1csc([C@H]2CCCN(C(=O)/C=C/c3ccc(C(=O)NC4CC4)cc3)C2)n1 ZINC000173068144 882318752 /nfs/dbraw/zinc/31/87/52/882318752.db2.gz FZSBFGXNSZFGLW-QKIXSCASSA-N 0 0 395.528 3.763 10 0 GHAERN Cc1nc([C@@H](NC(=O)c2nc(Cl)ccc2Cl)c2ccccc2F)no1 ZINC000114650855 869704800 /nfs/dbraw/zinc/70/48/00/869704800.db2.gz KPZUPIZMTPFOEL-ZDUSSCGKSA-N 0 0 381.194 3.738 10 0 GHAERN O=C(Nc1ccc(CC(F)(F)F)cc1)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000173243229 882343698 /nfs/dbraw/zinc/34/36/98/882343698.db2.gz OPHDIQJBVIMPRR-QGZVFWFLSA-N 0 0 391.393 3.820 10 0 GHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H](C)OC[C@@H]3CCCCO3)C2)n1 ZINC000173946047 869854832 /nfs/dbraw/zinc/85/48/32/869854832.db2.gz XLIXYHWPJBGGCF-BBWFWOEESA-N 0 0 380.554 3.947 10 0 GHAERN COc1cccc(F)c1[C@@H](C)NC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173369337 882357166 /nfs/dbraw/zinc/35/71/66/882357166.db2.gz GUCQYIBIWLLIBL-OAHLLOKOSA-N 0 0 386.471 3.567 10 0 GHAERN CC(C)(C)OC(=O)CCCCCNC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000173444831 882361085 /nfs/dbraw/zinc/36/10/85/882361085.db2.gz PQTCPWVATAGSTM-OAHLLOKOSA-N 0 0 381.542 3.934 10 0 GHAERN C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000173730424 882369334 /nfs/dbraw/zinc/36/93/34/882369334.db2.gz KCZWKAWQXKEPAJ-QGZVFWFLSA-N 0 0 377.488 3.542 10 0 GHAERN Cc1ccc([C@H]2CCCCN2C(=O)NC2CCN(c3ncccn3)CC2)cc1 ZINC000173727880 882369528 /nfs/dbraw/zinc/36/95/28/882369528.db2.gz UKDJKIVMMNQFII-HXUWFJFHSA-N 0 0 379.508 3.691 10 0 GHAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)N1CCC(Nc2ccccc2F)CC1 ZINC000173748225 882372518 /nfs/dbraw/zinc/37/25/18/882372518.db2.gz DLSYPQSDWBLAFH-UHFFFAOYSA-N 0 0 382.439 3.819 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)c3cc4c(C(C)C)nn(C)c4s3)CC2)n1 ZINC000173532676 882375888 /nfs/dbraw/zinc/37/58/88/882375888.db2.gz DTBFLWRNWJQMND-UHFFFAOYSA-N 0 0 397.548 3.860 10 0 GHAERN C[C@H]1CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2ccc(F)cc2O1 ZINC000173521745 882376252 /nfs/dbraw/zinc/37/62/52/882376252.db2.gz UNVMTEPMJFSIMD-ZDUSSCGKSA-N 0 0 388.464 3.554 10 0 GHAERN C[C@H](NC(=O)Nc1ccccc1CN1CCNC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000183964721 870180248 /nfs/dbraw/zinc/18/02/48/870180248.db2.gz XEZYHTUXLJFANO-SCUMNGBJSA-N 0 0 396.535 3.938 10 0 GHAERN Cc1cc(C)cc(-c2nnc(NC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)s2)c1 ZINC000186067595 870224378 /nfs/dbraw/zinc/22/43/78/870224378.db2.gz GXSKYIDIETZMRM-OXQOHEQNSA-N 0 0 386.521 3.981 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)CSCc2noc(C(C)C)n2)cc1 ZINC000173816652 882406351 /nfs/dbraw/zinc/40/63/51/882406351.db2.gz IMYVTQFQXBKDJP-INIZCTEOSA-N 0 0 375.494 3.799 10 0 GHAERN Cc1ccc(N2CCC(C(=O)N3CCC(Nc4ccccc4F)CC3)CC2)nc1 ZINC000174065868 882419896 /nfs/dbraw/zinc/41/98/96/882419896.db2.gz BQJHAMQUBIECQL-UHFFFAOYSA-N 0 0 396.510 3.849 10 0 GHAERN CC(=O)CCc1ccc(OCC(=O)N2CCC(Nc3ccccc3F)CC2)cc1 ZINC000174069473 882421329 /nfs/dbraw/zinc/42/13/29/882421329.db2.gz UBGUUXGIUSVICP-UHFFFAOYSA-N 0 0 398.478 3.829 10 0 GHAERN O=C([C@H]1CCCN(CC(F)(F)F)C1)N1CCC(Nc2ccccc2F)CC1 ZINC000174083631 882422252 /nfs/dbraw/zinc/42/22/52/882422252.db2.gz DXZVCVZPPJGJEJ-AWEZNQCLSA-N 0 0 387.421 3.503 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC(Nc2ccccc2F)CC1 ZINC000174081420 882422754 /nfs/dbraw/zinc/42/27/54/882422754.db2.gz GTBQUKWKPQITJK-UHFFFAOYSA-N 0 0 399.491 3.977 10 0 GHAERN O=C(CCc1nc(-c2ccco2)no1)N1CCC(Nc2ccccc2F)CC1 ZINC000174091107 882425312 /nfs/dbraw/zinc/42/53/12/882425312.db2.gz AXOQHOGAWDTKPO-UHFFFAOYSA-N 0 0 384.411 3.504 10 0 GHAERN Cc1ccc(-n2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)c3c2CCC3)c(F)c1 ZINC000107248166 870623870 /nfs/dbraw/zinc/62/38/70/870623870.db2.gz LLTXCXAPBJZTTQ-SFHVURJKSA-N 0 0 393.466 3.519 10 0 GHAERN O=C(c1cccs1)N1CCCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 ZINC000174224703 882437320 /nfs/dbraw/zinc/43/73/20/882437320.db2.gz ONNFPGWKNFSOOO-UHFFFAOYSA-N 0 0 397.544 3.727 10 0 GHAERN CCOC(=O)c1cc2cc(C(=O)Nc3cccc(-c4nnc(C)o4)c3)ccc2[nH]1 ZINC000174356141 882457436 /nfs/dbraw/zinc/45/74/36/882457436.db2.gz RCSIPIBVGSHVQU-UHFFFAOYSA-N 0 0 390.399 3.955 10 0 GHAERN CCS[C@H]1CC[C@@H](N(C)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000174375872 882460228 /nfs/dbraw/zinc/46/02/28/882460228.db2.gz ZKBLRMYHLJBQJP-MOPGFXCFSA-N 0 0 392.540 3.811 10 0 GHAERN COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)Nc2ccc(F)c(C)c2)cc1OC ZINC000103099836 871272129 /nfs/dbraw/zinc/27/21/29/871272129.db2.gz LNAARGHYHBSERQ-RISCZKNCSA-N 0 0 386.423 3.998 10 0 GHAERN CC(=O)c1ccc(OCCC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000174758006 882501048 /nfs/dbraw/zinc/50/10/48/882501048.db2.gz KFHMWLCOYBONIN-ZDUSSCGKSA-N 0 0 397.406 3.725 10 0 GHAERN CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(C(=O)c3ccccn3)CC2)c1 ZINC000175074442 882521860 /nfs/dbraw/zinc/52/18/60/882521860.db2.gz RPYDFHXNSZSFSW-UHFFFAOYSA-N 0 0 381.476 3.576 10 0 GHAERN CCS[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000175272096 882562431 /nfs/dbraw/zinc/56/24/31/882562431.db2.gz CDVHTELDVWMULX-CVEARBPZSA-N 0 0 380.579 3.781 10 0 GHAERN COc1c(C)cc(CN(C)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1C ZINC000101566285 872105972 /nfs/dbraw/zinc/10/59/72/872105972.db2.gz WUKUCFYRZYVTPM-UHFFFAOYSA-N 0 0 383.460 3.940 10 0 GHAERN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cnccc2-c2cccc(F)c2)n[nH]1 ZINC000175518493 882593301 /nfs/dbraw/zinc/59/33/01/882593301.db2.gz YILFHXMUFLRGAW-UHFFFAOYSA-N 0 0 390.422 3.880 10 0 GHAERN O=C(c1csc(-c2ccsc2)n1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000175567253 882598587 /nfs/dbraw/zinc/59/85/87/882598587.db2.gz LPSZJYMFRMQVDB-UHFFFAOYSA-N 0 0 393.497 3.786 10 0 GHAERN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000102020563 872491959 /nfs/dbraw/zinc/49/19/59/872491959.db2.gz ANLGOWIASXHFPP-UHFFFAOYSA-N 0 0 395.290 3.867 10 0 GHAERN Cc1ccccc1[C@H](NC(=O)N1CCC(c2ccnn2CCO)CC1)C(C)(C)C ZINC000175759592 882622740 /nfs/dbraw/zinc/62/27/40/882622740.db2.gz MAOJKYWQUTYJAC-NRFANRHFSA-N 0 0 398.551 3.860 10 0 GHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(F)c(C(=O)N(C)C)c3)C2)cc1 ZINC000176054663 882662062 /nfs/dbraw/zinc/66/20/62/882662062.db2.gz MSPPKKFPUWGYSX-GDBMZVCRSA-N 0 0 399.466 3.946 10 0 GHAERN COc1ccc(/C(C)=C/C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000176421148 882691946 /nfs/dbraw/zinc/69/19/46/882691946.db2.gz PJMXBXWSGQCJTN-VVLLFNJHSA-N 0 0 380.492 3.780 10 0 GHAERN CCS[C@H]1CCC[C@H](NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000176736384 882708355 /nfs/dbraw/zinc/70/83/55/882708355.db2.gz CWWGOGHAQCWGRY-OALUTQOASA-N 0 0 392.540 3.858 10 0 GHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)c3c(C)c4ccccc4oc3=O)C2)c1 ZINC000176611840 882718969 /nfs/dbraw/zinc/71/89/69/882718969.db2.gz BQXOQSKWVOGLDR-HNNXBMFYSA-N 0 0 393.439 3.748 10 0 GHAERN O=C(NC[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(n2cncn2)CC1 ZINC000176659834 882723131 /nfs/dbraw/zinc/72/31/31/882723131.db2.gz SSAPWOGMUCQUTM-OAQYLSRUSA-N 0 0 389.503 3.651 10 0 GHAERN Cc1cc(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(C(F)(F)F)c2)n[nH]1 ZINC000102763332 873569268 /nfs/dbraw/zinc/56/92/68/873569268.db2.gz YPBDDUWKMQLAMJ-VXGBXAGGSA-N 0 0 382.386 3.603 10 0 GHAERN O=C(c1ccc(CS(=O)(=O)C(F)F)cc1)N1CC=C(c2cccs2)CC1 ZINC000176926454 882751954 /nfs/dbraw/zinc/75/19/54/882751954.db2.gz SCLJCXUCVGXGQF-UHFFFAOYSA-N 0 0 397.468 3.815 10 0 GHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC[C@H]2CCN(C)c3ccccc32)no1 ZINC000177436122 882797354 /nfs/dbraw/zinc/79/73/54/882797354.db2.gz SOPBAUVDTASHAK-QAPCUYQASA-N 0 0 383.496 3.663 10 0 GHAERN O=C(c1ccccc1)N1CCC[C@@H](C(=O)N2CC=C(c3cccs3)CC2)C1 ZINC000117724040 874149229 /nfs/dbraw/zinc/14/92/29/874149229.db2.gz SPRJCQZVSCTFOH-LJQANCHMSA-N 0 0 380.513 3.916 10 0 GHAERN CCSc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000177512275 882810839 /nfs/dbraw/zinc/81/08/39/882810839.db2.gz OPISGPNJCSLKOL-ZDUSSCGKSA-N 0 0 375.519 3.600 10 0 GHAERN C[C@H](NC(=O)NC1CCN(c2ncccn2)CC1)c1cccc(Cl)c1Cl ZINC000117969299 874284159 /nfs/dbraw/zinc/28/41/59/874284159.db2.gz IDHSSSGKQLFSOG-LBPRGKRZSA-N 0 0 394.306 3.813 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)cc1)c1cccs1 ZINC000177746041 882821618 /nfs/dbraw/zinc/82/16/18/882821618.db2.gz ROVRHBIOCRIBDX-QGZVFWFLSA-N 0 0 380.473 3.502 10 0 GHAERN CC[C@H]1CCc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000177654828 882840416 /nfs/dbraw/zinc/84/04/16/882840416.db2.gz UHBWMXGBHCDDFP-IBGZPJMESA-N 0 0 377.488 3.692 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C[C@H](O)c3ccccc3)nc21 ZINC000177655844 882841076 /nfs/dbraw/zinc/84/10/76/882841076.db2.gz HTZNMDPDGONBGW-ICSRJNTNSA-N 0 0 377.488 3.919 10 0 GHAERN CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H](CCO)c1ccccc1)CCC2 ZINC000177877539 882868810 /nfs/dbraw/zinc/86/88/10/882868810.db2.gz TZKPQRWXASRZJQ-FUHWJXTLSA-N 0 0 387.549 3.891 10 0 GHAERN Cc1ccc(N2C[C@@H](C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)CC2=O)cc1 ZINC000104919625 874849207 /nfs/dbraw/zinc/84/92/07/874849207.db2.gz FTMZYPKKUMSQMB-HKUYNNGSSA-N 0 0 398.528 3.617 10 0 GHAERN Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)cc1NC(=O)c1ccccc1 ZINC000178301657 882884413 /nfs/dbraw/zinc/88/44/13/882884413.db2.gz TVPBHBARCHREFJ-YADHBBJMSA-N 0 0 386.451 3.635 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@H](c3cccc(F)c3)C2)n1 ZINC000179417255 882970659 /nfs/dbraw/zinc/97/06/59/882970659.db2.gz AVVFNCKTIXLLDK-MRXNPFEDSA-N 0 0 381.398 3.830 10 0 GHAERN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000120406776 876021362 /nfs/dbraw/zinc/02/13/62/876021362.db2.gz WCALFZJQIJUCQS-WZONZLPQSA-N 0 0 396.450 3.895 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 ZINC000120668720 876194310 /nfs/dbraw/zinc/19/43/10/876194310.db2.gz YQMPLYKWDAHYRK-NRFANRHFSA-N 0 0 389.446 3.791 10 0 GHAERN CC[C@@H](C(=O)N1CCC(C(=O)N2CCCCCC2)CC1)c1ccc(OC)cc1 ZINC000179597427 883012926 /nfs/dbraw/zinc/01/29/26/883012926.db2.gz KCJISDPOPBIKJP-OAQYLSRUSA-N 0 0 386.536 3.830 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)CCO2)o1 ZINC000120833332 876314454 /nfs/dbraw/zinc/31/44/54/876314454.db2.gz IDXUVNCIPNMHIW-OXJNMPFZSA-N 0 0 380.448 3.618 10 0 GHAERN NC(=O)CSc1ccccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000120966538 876381199 /nfs/dbraw/zinc/38/11/99/876381199.db2.gz VNYDJSRYCAZUKU-UHFFFAOYSA-N 0 0 385.464 3.724 10 0 GHAERN C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000179982868 883042174 /nfs/dbraw/zinc/04/21/74/883042174.db2.gz PZCCEEARZOSFOR-LLVKDONJSA-N 0 0 384.386 3.750 10 0 GHAERN O=C(N[C@H](CC1CCC1)c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000180646019 883090280 /nfs/dbraw/zinc/09/02/80/883090280.db2.gz POOWSPHIOQVYDM-JOCHJYFZSA-N 0 0 391.515 3.982 10 0 GHAERN CC(C)Oc1cccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)c1 ZINC000097569908 883093417 /nfs/dbraw/zinc/09/34/17/883093417.db2.gz VQIBIQWEQSPUIA-SCOAYWHSSA-N 0 0 386.521 3.684 10 0 GHAERN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000181011860 883116633 /nfs/dbraw/zinc/11/66/33/883116633.db2.gz KRTCKOCDDVZIFX-VGTOOOLASA-N 0 0 381.398 3.804 10 0 GHAERN Cn1ccnc1CC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 ZINC000122046204 878241503 /nfs/dbraw/zinc/24/15/03/878241503.db2.gz CKTOIPFUSSCCJG-UHFFFAOYSA-N 0 0 387.483 3.746 10 0 GHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(-c4ccco4)[nH]c3=O)C2)cc1 ZINC000122199814 878429814 /nfs/dbraw/zinc/42/98/14/878429814.db2.gz AARBIHKWWVZFPD-HOCLYGCPSA-N 0 0 378.428 3.662 10 0 GHAERN Cc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1CCO[C@H]1CCCCO1 ZINC000122688840 879255465 /nfs/dbraw/zinc/25/54/65/879255465.db2.gz SBQYABPUIQSGOO-QFIPXVFZSA-N 0 0 395.503 3.664 10 0 GHAERN Cc1ccnc2c1NC(=O)CN2C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000181037689 883118444 /nfs/dbraw/zinc/11/84/44/883118444.db2.gz LHTWPLFLBFULOJ-UHFFFAOYSA-N 0 0 384.848 3.766 10 0 GHAERN Cc1nc([C@@H](NC(=O)[C@H](C)Oc2cccc(C=O)c2)c2ccc(Cl)cc2)no1 ZINC000181285631 883132587 /nfs/dbraw/zinc/13/25/87/883132587.db2.gz RFBIXHPJSJWFJM-SGTLLEGYSA-N 0 0 399.834 3.517 10 0 GHAERN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)CCCc2ccc3ccccc3c2)C1 ZINC000181454792 883154553 /nfs/dbraw/zinc/15/45/53/883154553.db2.gz UWEUENCUYRMROL-GGAORHGYSA-N 0 0 391.515 3.868 10 0 GHAERN Cc1cc(C)c(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c(Cl)n1 ZINC000181863866 883189021 /nfs/dbraw/zinc/18/90/21/883189021.db2.gz PCPJVYXIXFTRHJ-UHFFFAOYSA-N 0 0 377.916 3.653 10 0 GHAERN O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1CCC(c2ccnn2CCO)CC1 ZINC000181930957 883193745 /nfs/dbraw/zinc/19/37/45/883193745.db2.gz ABHMRMQPKWWGBB-FGZHOGPDSA-N 0 0 389.499 3.538 10 0 GHAERN CC[C@@]1(c2ccc(N[C@@H](C)c3nc4ccccc4n3C)cc2)CCC(=O)NC1=O ZINC000182739411 883233433 /nfs/dbraw/zinc/23/34/33/883233433.db2.gz BEJODLAOHSEESP-WNSKOXEYSA-N 0 0 390.487 3.831 10 0 GHAERN CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC[C@@H]1c1nc[nH]n1 ZINC000183075766 883259047 /nfs/dbraw/zinc/25/90/47/883259047.db2.gz NXRXEWCLZFGNJE-CYBMUJFWSA-N 0 0 383.374 3.981 10 0 GHAERN Cc1cccc2[nH]c(CCC(=O)N3CCC(O)(Cc4cccc(F)c4)CC3)nc21 ZINC000184023059 883300785 /nfs/dbraw/zinc/30/07/85/883300785.db2.gz IQJVCSQYVPMJHJ-UHFFFAOYSA-N 0 0 395.478 3.539 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)Cc2c[nH]c3cc(F)ccc23)c2ccc(F)cc2C1 ZINC000184112931 883320207 /nfs/dbraw/zinc/32/02/07/883320207.db2.gz LFBSLUVGZAZTOW-HXUWFJFHSA-N 0 0 397.425 3.598 10 0 GHAERN O=C(Nc1ccc(F)cc1OCC(F)F)N1CCCN(c2ccccn2)CC1 ZINC000184143265 883324431 /nfs/dbraw/zinc/32/44/31/883324431.db2.gz YDKNEUILGSWQGF-UHFFFAOYSA-N 0 0 394.397 3.609 10 0 GHAERN Cc1ccc(C(=O)CCCC(=O)NC2CCN(c3ccc(C)cn3)CC2)cc1 ZINC000184426710 883335658 /nfs/dbraw/zinc/33/56/58/883335658.db2.gz MIHGDJDAEJZPQW-UHFFFAOYSA-N 0 0 379.504 3.837 10 0 GHAERN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2ccccn2)CC1 ZINC000184227800 883337602 /nfs/dbraw/zinc/33/76/02/883337602.db2.gz SATMSRDBCMVJLL-QGZVFWFLSA-N 0 0 394.302 3.551 10 0 GHAERN CCCc1c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)cnn1-c1cccc(F)c1 ZINC000184324892 883344914 /nfs/dbraw/zinc/34/49/14/883344914.db2.gz RNWQXIUCEDNAQR-SFHVURJKSA-N 0 0 397.458 3.841 10 0 GHAERN CCc1nc(CCNC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC000102458378 883377833 /nfs/dbraw/zinc/37/78/33/883377833.db2.gz QOTBAQHOPHGLSI-INIZCTEOSA-N 0 0 379.913 3.685 10 0 GHAERN CC(=O)N1CC[C@@H](NCc2csc(-c3ccccn3)n2)c2ccc(F)cc2C1 ZINC000185356417 883439158 /nfs/dbraw/zinc/43/91/58/883439158.db2.gz CSFONBFFIOJACL-LJQANCHMSA-N 0 0 396.491 3.927 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)c2ccc(F)cc2C1 ZINC000185539885 883553048 /nfs/dbraw/zinc/55/30/48/883553048.db2.gz KMCXSVVKPCHZCJ-HXPMCKFVSA-N 0 0 390.405 3.817 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)c2cc3c(s2)CCCC3)c2ccc(F)cc2C1 ZINC000185548735 883554231 /nfs/dbraw/zinc/55/42/31/883554231.db2.gz WBUDQKJUERNEBO-GOSISDBHSA-N 0 0 386.492 3.989 10 0 GHAERN CS[C@@H](C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21)c1ccccc1 ZINC000185558422 883557018 /nfs/dbraw/zinc/55/70/18/883557018.db2.gz LRTZENRYRDHGBK-VQTJNVASSA-N 0 0 386.492 3.840 10 0 GHAERN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185559147 883557277 /nfs/dbraw/zinc/55/72/77/883557277.db2.gz CEYAVNORIIIAPT-FCHUYYIVSA-N 0 0 398.478 3.901 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)c2ccc(F)cc2C1 ZINC000185568255 883558086 /nfs/dbraw/zinc/55/80/86/883558086.db2.gz LOWIPDPQRZRUBK-YADHBBJMSA-N 0 0 380.463 3.929 10 0 GHAERN COc1ccc(CN(C)C(=O)NCCc2coc(-c3ccc(F)cc3)n2)cc1O ZINC000102567142 883577741 /nfs/dbraw/zinc/57/77/41/883577741.db2.gz WGZBHFIDKOWHJA-UHFFFAOYSA-N 0 0 399.422 3.579 10 0 GHAERN OC[C@@H]1CN(c2nnc(Cc3ccccc3F)s2)C[C@H]1c1ccsc1 ZINC000186157591 883615985 /nfs/dbraw/zinc/61/59/85/883615985.db2.gz FZMJALWMLPQBAF-GJZGRUSLSA-N 0 0 375.494 3.542 10 0 GHAERN O=C(c1ccc(C2SCCS2)cc1)N1CCCN(c2ccccn2)CC1 ZINC000186405130 883641247 /nfs/dbraw/zinc/64/12/47/883641247.db2.gz AJNKWBXVELDCTF-UHFFFAOYSA-N 0 0 385.558 3.913 10 0 GHAERN CN(CCOc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186586637 883665948 /nfs/dbraw/zinc/66/59/48/883665948.db2.gz SAHVHKIEASSSSX-UHFFFAOYSA-N 0 0 388.855 3.860 10 0 GHAERN Cc1nc2c(s1)[C@@H](N(C)C(=O)Nc1ccc3c(c1)CN(C)C(=O)N3)CCC2 ZINC000186614851 883675594 /nfs/dbraw/zinc/67/55/94/883675594.db2.gz KYBUXZBSGNUCMU-INIZCTEOSA-N 0 0 385.493 3.970 10 0 GHAERN COc1c(C)cc(CN(C)C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1C ZINC000186633802 883679284 /nfs/dbraw/zinc/67/92/84/883679284.db2.gz YWANKFBQNZWEQI-UHFFFAOYSA-N 0 0 382.464 3.953 10 0 GHAERN CN1Cc2cc(NC(=O)NCc3cccc(Br)c3)ccc2NC1=O ZINC000186644914 883680533 /nfs/dbraw/zinc/68/05/33/883680533.db2.gz BFHJIBUCSNGQKA-UHFFFAOYSA-N 0 0 389.253 3.748 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)n1 ZINC000186756076 883698561 /nfs/dbraw/zinc/69/85/61/883698561.db2.gz PGJJVZDXFRIENX-UHFFFAOYSA-N 0 0 384.411 3.555 10 0 GHAERN COC(=O)c1scc(C)c1NC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000186822568 883708504 /nfs/dbraw/zinc/70/85/04/883708504.db2.gz MUZWMWSWKFYJPD-CHWSQXEVSA-N 0 0 378.450 3.556 10 0 GHAERN CN(C)c1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)CC2)n1 ZINC000186770455 883711717 /nfs/dbraw/zinc/71/17/17/883711717.db2.gz FBRGGFOANVJOLS-VQTJNVASSA-N 0 0 390.487 3.799 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)CCCCCc2ccc(F)cc2)C1 ZINC000186955364 883737913 /nfs/dbraw/zinc/73/79/13/883737913.db2.gz XLOUEVODGGWHSK-GHTZIAJQSA-N 0 0 387.499 3.634 10 0 GHAERN CSCc1cccc(CNC(=O)N2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000187395859 883785679 /nfs/dbraw/zinc/78/56/79/883785679.db2.gz HGFCUDBRPJJIFF-GOSISDBHSA-N 0 0 395.532 3.682 10 0 GHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCC(Nc3nccs3)CC2)CCO1 ZINC000187776879 883807797 /nfs/dbraw/zinc/80/77/97/883807797.db2.gz RJGFVYHGQNLINT-IRXDYDNUSA-N 0 0 380.558 3.713 10 0 GHAERN Cc1ccc(Br)nc1C(=O)NC1CCN(c2cccs2)CC1 ZINC000188001493 883819549 /nfs/dbraw/zinc/81/95/49/883819549.db2.gz NTFZGSPWNCGCMZ-UHFFFAOYSA-N 0 0 380.311 3.613 10 0 GHAERN CCOc1ccc(/C=C/C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1OCC ZINC000188817218 883885295 /nfs/dbraw/zinc/88/52/95/883885295.db2.gz RIICZHQXKHBCFG-SOGBHIHOSA-N 0 0 398.507 3.816 10 0 GHAERN O=C(c1ccc2c(c1)NC(=O)C2)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000188953531 883905551 /nfs/dbraw/zinc/90/55/51/883905551.db2.gz UXBWPJINNNREBK-LBPRGKRZSA-N 0 0 395.406 3.676 10 0 GHAERN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189838334 884015687 /nfs/dbraw/zinc/01/56/87/884015687.db2.gz DIWSLSMIQSYLOG-LJQANCHMSA-N 0 0 384.520 3.509 10 0 GHAERN CSc1nc(C)c(CCC(=O)N2CC3(CCOCC3)c3ccccc32)c(C)n1 ZINC000189845401 884015766 /nfs/dbraw/zinc/01/57/66/884015766.db2.gz UHDMQBIHJQKFSC-UHFFFAOYSA-N 0 0 397.544 3.843 10 0 GHAERN O=C(c1cccc(N2CCCC2=O)c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189853661 884017048 /nfs/dbraw/zinc/01/70/48/884017048.db2.gz ZCNSOLVYPJXXPG-UHFFFAOYSA-N 0 0 376.456 3.522 10 0 GHAERN COC(=O)[C@H]1CCN(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)C[C@H]1C ZINC000189868857 884019258 /nfs/dbraw/zinc/01/92/58/884019258.db2.gz OMHUEQUIHYYDFJ-YPMHNXCESA-N 0 0 384.423 3.805 10 0 GHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190221412 884056757 /nfs/dbraw/zinc/05/67/57/884056757.db2.gz IVOVBFPMHJSEJL-BJLQDIEVSA-N 0 0 388.508 3.670 10 0 GHAERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190281117 884064762 /nfs/dbraw/zinc/06/47/62/884064762.db2.gz UCVVPJTVMMWMKX-BBRMVZONSA-N 0 0 375.463 3.900 10 0 GHAERN C[S@](=O)Cc1cccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000190291251 884065529 /nfs/dbraw/zinc/06/55/29/884065529.db2.gz BZQHIGOIUFVQTQ-QMTYFTJSSA-N 0 0 377.456 3.863 10 0 GHAERN O=C(CCC(=O)N1CCC(Nc2nccs2)CC1)c1ccc2c(c1)CCC2 ZINC000190386192 884075571 /nfs/dbraw/zinc/07/55/71/884075571.db2.gz VMFVPZNVBLPRBS-UHFFFAOYSA-N 0 0 383.517 3.698 10 0 GHAERN Cc1noc2nc(C3CC3)cc(C(=O)N3CCC(Nc4nccs4)CC3)c12 ZINC000190427407 884079946 /nfs/dbraw/zinc/07/99/46/884079946.db2.gz HXLBHWGEWUWMCD-UHFFFAOYSA-N 0 0 383.477 3.582 10 0 GHAERN Cc1nc(COc2cccc(C(=O)N[C@H]3CCOc4c(C)cccc43)c2)no1 ZINC000190650745 884105398 /nfs/dbraw/zinc/10/53/98/884105398.db2.gz UXKIRYSUCRNXBY-SFHVURJKSA-N 0 0 379.416 3.519 10 0 GHAERN CC(C)Oc1ccc(CNC(=O)N2CC3(CCOCC3)c3ccccc32)cn1 ZINC000191044175 884149182 /nfs/dbraw/zinc/14/91/82/884149182.db2.gz ZJLOYNSYWSEACJ-UHFFFAOYSA-N 0 0 381.476 3.647 10 0 GHAERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000370113629 884153023 /nfs/dbraw/zinc/15/30/23/884153023.db2.gz RULCMRHPSBGEJK-FZMZJTMJSA-N 0 0 377.901 3.584 10 0 GHAERN CCn1cc([C@H]2CN(C(=O)N[C@H](c3cccs3)C(C)(C)C)CCO2)cn1 ZINC000191282175 884167153 /nfs/dbraw/zinc/16/71/53/884167153.db2.gz JEUYDTONZZQBGQ-NVXWUHKLSA-N 0 0 376.526 3.835 10 0 GHAERN FC(F)(F)c1nnc(N2CCCN(CCC(Cl)(Cl)Cl)CC2)s1 ZINC000191302067 884171252 /nfs/dbraw/zinc/17/12/52/884171252.db2.gz MVNGKYHCIRUEKV-UHFFFAOYSA-N 0 0 397.681 3.829 10 0 GHAERN C[C@H](Oc1ccc(C(=O)NCc2cccnc2-n2cncn2)cc1)c1ccccc1 ZINC000191741092 884208567 /nfs/dbraw/zinc/20/85/67/884208567.db2.gz OYSOXGFQZZOCHF-KRWDZBQOSA-N 0 0 399.454 3.732 10 0 GHAERN CCc1c(NC(=O)c2cnc3c(c2)ncn3C)cnn1-c1ccccc1Cl ZINC000192119851 884239813 /nfs/dbraw/zinc/23/98/13/884239813.db2.gz XHADIICDMPMKBP-UHFFFAOYSA-N 0 0 380.839 3.622 10 0 GHAERN CCc1csc([C@H]2CCCN(C(=O)NCC3CCC4(CC3)OCCO4)C2)n1 ZINC000192623168 884272048 /nfs/dbraw/zinc/27/20/48/884272048.db2.gz VAILYWWDRPDHLU-INIZCTEOSA-N 0 0 393.553 3.528 10 0 GHAERN O=C(Nc1ccc(Cl)cc1F)C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000192927757 884300967 /nfs/dbraw/zinc/30/09/67/884300967.db2.gz UGJBBZOJCZMHJQ-UHFFFAOYSA-N 0 0 388.826 3.513 10 0 GHAERN O=C(C1CCN(Cc2csc(-c3ccccn3)n2)CC1)N1CCCCCC1 ZINC000193113553 884313146 /nfs/dbraw/zinc/31/31/46/884313146.db2.gz WWEOMZGGDAQGCY-UHFFFAOYSA-N 0 0 384.549 3.820 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000192952677 884316069 /nfs/dbraw/zinc/31/60/69/884316069.db2.gz ZJDJTYSBROYZTP-CVEARBPZSA-N 0 0 386.377 3.706 10 0 GHAERN O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000192952737 884316392 /nfs/dbraw/zinc/31/63/92/884316392.db2.gz KNARWEUQMZNRBA-SJORKVTESA-N 0 0 386.377 3.706 10 0 GHAERN C[C@H](NC(=O)NCC[C@H]1C(=O)Nc2ccccc21)c1cccc(OC(F)F)c1 ZINC000193257630 884334356 /nfs/dbraw/zinc/33/43/56/884334356.db2.gz DBCCBNCAECNPCJ-BLLLJJGKSA-N 0 0 389.402 3.774 10 0 GHAERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000102718109 884343821 /nfs/dbraw/zinc/34/38/21/884343821.db2.gz QVCJJXQOIZLMCT-INIZCTEOSA-N 0 0 381.929 3.580 10 0 GHAERN COC(=O)c1ccc(NC(=O)Cc2ccc(C)s2)c(OCC(F)(F)F)c1 ZINC000102743687 884392958 /nfs/dbraw/zinc/39/29/58/884392958.db2.gz AVEILFAGPVEHFB-UHFFFAOYSA-N 0 0 387.379 3.965 10 0 GHAERN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000105461541 884789176 /nfs/dbraw/zinc/78/91/76/884789176.db2.gz ABJULNPESKCTQM-CQSZACIVSA-N 0 0 394.924 3.860 10 0 GHAERN Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)n2C)c1 ZINC000003400506 885229146 /nfs/dbraw/zinc/22/91/46/885229146.db2.gz XFGHEXXFVHZHGZ-CQSZACIVSA-N 0 0 384.480 3.899 10 0 GHAERN CC(C)[C@H](NC(=O)c1coc(Br)c1)c1nc(-c2cccnc2)no1 ZINC000102726488 885975024 /nfs/dbraw/zinc/97/50/24/885975024.db2.gz BRCZCPJZOARBTR-ZDUSSCGKSA-N 0 0 391.225 3.614 10 0 GHAERN Cc1nnc([C@H](NC(=O)CCC(=O)c2ccc(Cl)cc2)c2ccccc2)[nH]1 ZINC000104403610 886002965 /nfs/dbraw/zinc/00/29/65/886002965.db2.gz ALGSSMDYUAHLBR-LJQANCHMSA-N 0 0 382.851 3.635 10 0 GHAERN O=C(NCc1ccc(OC(F)F)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000105768327 886021096 /nfs/dbraw/zinc/02/10/96/886021096.db2.gz QFQBLIFPZGFOFG-AWEZNQCLSA-N 0 0 394.443 3.518 10 0 GHAERN CC(=O)CCc1ccc(OCCC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000109669980 886148865 /nfs/dbraw/zinc/14/88/65/886148865.db2.gz DUPUCJNGIIWTBE-NRFANRHFSA-N 0 0 397.519 3.691 10 0 GHAERN O=C(c1cccc(OCc2ccccc2)c1)N1CCO[C@H](c2nccs2)C1 ZINC000110874532 886212696 /nfs/dbraw/zinc/21/26/96/886212696.db2.gz BNKVJHCVPXZEIP-IBGZPJMESA-N 0 0 380.469 3.936 10 0 GHAERN C[C@H](CC1CC1)NC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)cc1 ZINC000112757814 886272001 /nfs/dbraw/zinc/27/20/01/886272001.db2.gz DRAUSYSRHUHRQG-CQSZACIVSA-N 0 0 383.517 3.554 10 0 GHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NC[C@@H]1CCN(C)c2ccccc21 ZINC000114590624 886316958 /nfs/dbraw/zinc/31/69/58/886316958.db2.gz OMFFBRFWEAQTDG-FXAWDEMLSA-N 0 0 381.524 3.507 10 0 GHAERN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H]3Oc4ccccc4[C@@H]3C)n2)o1 ZINC000117585144 886386799 /nfs/dbraw/zinc/38/67/99/886386799.db2.gz HHSGOFRJDJYCHQ-VOJFVSQTSA-N 0 0 397.456 3.542 10 0 GHAERN CC(=O)Nc1cccc(OCCNC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117965205 886398250 /nfs/dbraw/zinc/39/82/50/886398250.db2.gz VKVVFQYULFLUEW-UHFFFAOYSA-N 0 0 385.489 3.584 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 ZINC000119682920 886473873 /nfs/dbraw/zinc/47/38/73/886473873.db2.gz RHYBJJUDEZCKKM-MRXNPFEDSA-N 0 0 381.398 3.830 10 0 GHAERN CC(C)Cn1cc(C(F)F)c(C(=O)N2CCO[C@H](c3ccccc3F)C2)n1 ZINC000119682727 886474188 /nfs/dbraw/zinc/47/41/88/886474188.db2.gz RHYBJJUDEZCKKM-INIZCTEOSA-N 0 0 381.398 3.830 10 0 GHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)NC1CCN(c2cccs2)CC1 ZINC000120462874 886521497 /nfs/dbraw/zinc/52/14/97/886521497.db2.gz XSELANUSNVYYDC-UHFFFAOYSA-N 0 0 395.532 3.949 10 0 GHAERN Cc1csc([C@H]2CN(C(=O)N[C@H]3CCCc4cc(F)ccc43)CCO2)n1 ZINC000332707138 886539898 /nfs/dbraw/zinc/53/98/98/886539898.db2.gz BFDOTSXUPUHBOP-DLBZAZTESA-N 0 0 375.469 3.751 10 0 GHAERN Cc1noc([C@H](NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)C2CCOCC2)n1 ZINC000332775464 886543682 /nfs/dbraw/zinc/54/36/82/886543682.db2.gz RQEKRLMXJCIGQI-IIYDPXPESA-N 0 0 393.846 3.558 10 0 GHAERN C=CC(=O)NCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000122012655 886574405 /nfs/dbraw/zinc/57/44/05/886574405.db2.gz PIHACHJICIVDBO-OXJNMPFZSA-N 0 0 378.472 3.516 10 0 GHAERN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000123851328 886680888 /nfs/dbraw/zinc/68/08/88/886680888.db2.gz VVCPWOHZDIFKEI-QZTJIDSGSA-N 0 0 380.444 3.527 10 0 GHAERN O=C(Nc1ccccc1N1C(=O)CCC1=O)N1CC=C(c2ccccc2F)CC1 ZINC000123969008 886695401 /nfs/dbraw/zinc/69/54/01/886695401.db2.gz SAXWYNWPMZJDML-UHFFFAOYSA-N 0 0 393.418 3.800 10 0 GHAERN C[C@H](NC(=O)N1CCC(Cc2nccn2C)CC1)c1cccc(OC(F)F)c1 ZINC000124141947 886710659 /nfs/dbraw/zinc/71/06/59/886710659.db2.gz WPBQJUQDNJWMSI-AWEZNQCLSA-N 0 0 392.450 3.747 10 0 GHAERN Cc1cccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)CC2)n1 ZINC000124195332 886715954 /nfs/dbraw/zinc/71/59/54/886715954.db2.gz KOBAYAZSERSVFE-RTWAWAEBSA-N 0 0 394.519 3.578 10 0 GHAERN Cc1nc([C@H](NC(=O)N(C)CCOc2ccccc2C)c2ccccc2F)no1 ZINC000124231109 886720797 /nfs/dbraw/zinc/72/07/97/886720797.db2.gz UZRUELPCZDVQMG-LJQANCHMSA-N 0 0 398.438 3.635 10 0 GHAERN Cc1nc([C@H](NC(=O)NC2(c3cccc(F)c3)CC2)c2ccccc2F)no1 ZINC000124316992 886730813 /nfs/dbraw/zinc/73/08/13/886730813.db2.gz BMANYUJJOKSCTL-QGZVFWFLSA-N 0 0 384.386 3.734 10 0 GHAERN CCSCC[C@H](C)N(C)C(=O)N[C@@H](c1noc(C)n1)c1ccccc1F ZINC000124658236 886780014 /nfs/dbraw/zinc/78/00/14/886780014.db2.gz QMHCJPAKKQSCNT-BLLLJJGKSA-N 0 0 380.489 3.780 10 0 GHAERN Cc1ccc(NC(=O)[C@@H](C)N2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000042628292 886797427 /nfs/dbraw/zinc/79/74/27/886797427.db2.gz DXTJEISPNYLGJT-QGZVFWFLSA-N 0 0 389.515 3.576 10 0 GHAERN CCCCCOc1cc(C)ccc1CNC(=O)N1CCC(n2cncn2)CC1 ZINC000124802746 886801399 /nfs/dbraw/zinc/80/13/99/886801399.db2.gz VDPGPNZKNLCDGQ-UHFFFAOYSA-N 0 0 385.512 3.702 10 0 GHAERN CCCOc1ccc(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1Cl ZINC000124867130 886805322 /nfs/dbraw/zinc/80/53/22/886805322.db2.gz KTRCYHMVMNNTCY-HNNXBMFYSA-N 0 0 395.931 3.846 10 0 GHAERN COC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c1C ZINC000042732699 886808809 /nfs/dbraw/zinc/80/88/09/886808809.db2.gz PWNBHFSVIFZSDM-FQEVSTJZSA-N 0 0 377.444 3.675 10 0 GHAERN CN(C)C(=O)c1cc(NC(=O)N2CC=C(c3ccccc3F)CC2)ccc1F ZINC000125787365 886900354 /nfs/dbraw/zinc/90/03/54/886900354.db2.gz ABEMDCZSSOHZFF-UHFFFAOYSA-N 0 0 385.414 3.988 10 0 GHAERN Cc1c(C(=O)N2CCC(c3ccnn3CCO)CC2)sc2cccc(F)c12 ZINC000126372803 886963107 /nfs/dbraw/zinc/96/31/07/886963107.db2.gz XKLBHYZRWYGJJD-UHFFFAOYSA-N 0 0 387.480 3.557 10 0 GHAERN Cc1ccc([C@H]2CN(C(=O)c3cccc(CSc4nccn4C)c3)CCO2)o1 ZINC000127080193 887029117 /nfs/dbraw/zinc/02/91/17/887029117.db2.gz MZZOHUCDJLWGME-LJQANCHMSA-N 0 0 397.500 3.828 10 0 GHAERN COc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nnc4ccccn43)C2)cc1F ZINC000045103462 887030418 /nfs/dbraw/zinc/03/04/18/887030418.db2.gz ULWKVBSYADOSCI-HOCLYGCPSA-N 0 0 397.454 3.527 10 0 GHAERN COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)c2nccn2C)cc1 ZINC000127956190 887128643 /nfs/dbraw/zinc/12/86/43/887128643.db2.gz QPDJXXPXGIUFSJ-NJYVYQBISA-N 0 0 375.472 3.746 10 0 GHAERN Cc1cccc(OCCC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1C ZINC000046587520 887207951 /nfs/dbraw/zinc/20/79/51/887207951.db2.gz FFKJCJBQARUXOB-UHFFFAOYSA-N 0 0 386.536 3.760 10 0 GHAERN CC[C@]1(c2ccc(N[C@H](c3ncc[nH]3)c3ccccc3)cc2)CCC(=O)NC1=O ZINC000129253488 887274941 /nfs/dbraw/zinc/27/49/41/887274941.db2.gz GPKDJPJOVAIEMX-NZQKXSOJSA-N 0 0 388.471 3.696 10 0 GHAERN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1CCN(c2cccs2)CC1 ZINC000130597173 887451899 /nfs/dbraw/zinc/45/18/99/887451899.db2.gz PZDBBJSZGGGIPF-UHFFFAOYSA-N 0 0 398.532 3.775 10 0 GHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(CN3CCCC3=O)c2)C12CCCC2 ZINC000134049540 887830544 /nfs/dbraw/zinc/83/05/44/887830544.db2.gz UYLWYCGWRBTAFI-UXHICEINSA-N 0 0 384.520 3.619 10 0 GHAERN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000134374151 887865850 /nfs/dbraw/zinc/86/58/50/887865850.db2.gz UFTOANJWMHZORO-LAUBAEHRSA-N 0 0 390.487 3.750 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000134644426 887895875 /nfs/dbraw/zinc/89/58/75/887895875.db2.gz UASJESWTBVVQOS-GOSISDBHSA-N 0 0 379.464 3.590 10 0 GHAERN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000134646747 887896123 /nfs/dbraw/zinc/89/61/23/887896123.db2.gz BMNAFPRVZBONPT-GOSISDBHSA-N 0 0 379.464 3.590 10 0 GHAERN Cc1c(NC(=O)N2CCC(c3ccnn3CCO)CC2)cccc1C(F)(F)F ZINC000135244677 888225910 /nfs/dbraw/zinc/22/59/10/888225910.db2.gz OFHJGNICRSUFCB-UHFFFAOYSA-N 0 0 396.413 3.614 10 0 GHAERN O=C(Cc1ccc(O)cc1Cl)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000136266008 888282061 /nfs/dbraw/zinc/28/20/61/888282061.db2.gz HUBHGNDJQFCAKL-FQEVSTJZSA-N 0 0 377.843 3.699 10 0 GHAERN O=C(Cc1ccc(O)cc1Cl)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000136266055 888282738 /nfs/dbraw/zinc/28/27/38/888282738.db2.gz HUBHGNDJQFCAKL-HXUWFJFHSA-N 0 0 377.843 3.699 10 0 GHAERN O=C(NC1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1)c1ccccc1 ZINC000054653529 888283817 /nfs/dbraw/zinc/28/38/17/888283817.db2.gz XQADIRSJCUSUPH-VXKWHMMOSA-N 0 0 392.499 3.575 10 0 GHAERN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(-n2cncn2)c(F)c1 ZINC000056085310 888346638 /nfs/dbraw/zinc/34/66/38/888346638.db2.gz OYVRPIAGRRDYOW-UHFFFAOYSA-N 0 0 395.369 3.772 10 0 GHAERN CC[C@@H](NC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1)c1cccs1 ZINC000057243829 888392518 /nfs/dbraw/zinc/39/25/18/888392518.db2.gz LIYVFJKYDDJTIR-CQSZACIVSA-N 0 0 376.482 3.556 10 0 GHAERN Cc1nnc([C@H](NC(=O)CCC(=O)c2cc(C)ccc2C)c2ccccc2)[nH]1 ZINC000057798302 888414218 /nfs/dbraw/zinc/41/42/18/888414218.db2.gz KYFMSMLQHFXWFB-OAQYLSRUSA-N 0 0 376.460 3.599 10 0 GHAERN COc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)ccc1Cl ZINC000194715206 888614181 /nfs/dbraw/zinc/61/41/81/888614181.db2.gz SVPWAAYSNAIDDP-UHFFFAOYSA-N 0 0 378.881 3.901 10 0 GHAERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1sccc1Br ZINC000195088611 888644437 /nfs/dbraw/zinc/64/44/37/888644437.db2.gz CALVSBOZOPWJBL-LBPRGKRZSA-N 0 0 397.319 3.630 10 0 GHAERN Cc1occc1-c1nnc(S(=O)(=O)[C@H](C)c2ncc(-c3ccccc3)o2)n1C ZINC000195108425 888647858 /nfs/dbraw/zinc/64/78/58/888647858.db2.gz WQPIPJCTTVLCGI-CYBMUJFWSA-N 0 0 398.444 3.573 10 0 GHAERN CN(Cc1ncc(-c2ccccc2Cl)o1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245440376 888752570 /nfs/dbraw/zinc/75/25/70/888752570.db2.gz UMQYDOGXSUNPSW-DOTOQJQBSA-N 0 0 382.913 3.783 10 0 GHAERN COc1ccc(OC)c2c1CN([C@H](C)c1nc(-c3ccccc3C)no1)C[C@@H]2O ZINC000245494345 888794527 /nfs/dbraw/zinc/79/45/27/888794527.db2.gz NGIJKJNIDJKHCN-PBHICJAKSA-N 0 0 395.459 3.672 10 0 GHAERN O[C@H](C[C@@H]1COCCN1Cc1ncc(-c2ccccc2Cl)o1)c1ccco1 ZINC000246046084 890235411 /nfs/dbraw/zinc/23/54/11/890235411.db2.gz PLBOGEVIVBCLBB-RHSMWYFYSA-N 0 0 388.851 3.913 10 0 GHAERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000246106243 890385028 /nfs/dbraw/zinc/38/50/28/890385028.db2.gz PDGAMVXYHYVJIM-IXDOHACOSA-N 0 0 392.862 3.969 10 0 GHAERN C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cncc(-c2ccccc2)c1 ZINC000246117008 890403741 /nfs/dbraw/zinc/40/37/41/890403741.db2.gz RGCKNMYPWSQMIF-FDDCHVKYSA-N 0 0 386.499 3.784 10 0 GHAERN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000246136978 890494897 /nfs/dbraw/zinc/49/48/97/890494897.db2.gz ZHDXVTTUDCXWAI-QFBILLFUSA-N 0 0 389.503 3.973 10 0 GHAERN COc1ccc(Br)c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000246187383 890622035 /nfs/dbraw/zinc/62/20/35/890622035.db2.gz SWSSPQVEHLADFK-NILFDRSVSA-N 0 0 381.270 3.537 10 0 GHAERN O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000246391882 891104646 /nfs/dbraw/zinc/10/46/46/891104646.db2.gz IYCJQWHGSPVXLE-CEXWTWQISA-N 0 0 397.437 3.996 10 0 GHAERN O=C(NC1CCN(c2ncccn2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068670492 891184504 /nfs/dbraw/zinc/18/45/04/891184504.db2.gz SUYVLUGUOAAPCY-GJZGRUSLSA-N 0 0 391.302 3.672 10 0 GHAERN CC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000246535675 891284024 /nfs/dbraw/zinc/28/40/24/891284024.db2.gz LCFMSJPJLBVNFF-IAOVAPTHSA-N 0 0 377.872 3.768 10 0 GHAERN C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000246867935 891317976 /nfs/dbraw/zinc/31/79/76/891317976.db2.gz FJKIIEUQVGXHPR-OXJNMPFZSA-N 0 0 399.922 3.725 10 0 GHAERN CCN(C(C)=O)c1nc(CN2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246899745 891321965 /nfs/dbraw/zinc/32/19/65/891321965.db2.gz RJGKQAQOPHUWSH-RTBURBONSA-N 0 0 391.512 3.743 10 0 GHAERN C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSc1ccccc1Cl ZINC000247221589 891356691 /nfs/dbraw/zinc/35/66/91/891356691.db2.gz NCQLVQUOIPOGRI-CRAIPNDOSA-N 0 0 389.952 3.854 10 0 GHAERN C[C@@H]1C[C@H]1[C@@H](NC(=O)NCc1cccnc1-n1cncn1)c1ccc(Cl)cc1 ZINC000247513532 891381898 /nfs/dbraw/zinc/38/18/98/891381898.db2.gz ZBFCVAWCCOQXTJ-XWIAVFTESA-N 0 0 396.882 3.512 10 0 GHAERN CCc1ccc([C@H]2COCCN2C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)o1 ZINC000248569727 891429113 /nfs/dbraw/zinc/42/91/13/891429113.db2.gz QFOVXXZCPBARCY-OXJNMPFZSA-N 0 0 399.491 3.673 10 0 GHAERN O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCO[C@H]3CCCC[C@H]32)s1 ZINC000248621301 891446320 /nfs/dbraw/zinc/44/63/20/891446320.db2.gz YCJVCXHOELQCQH-CABCVRRESA-N 0 0 392.912 3.587 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N2CC[C@H](C)C[C@H](C)C2)c2ccc(F)cc2C1 ZINC000248753105 891466430 /nfs/dbraw/zinc/46/64/30/891466430.db2.gz UNCZUPIRQVYEKB-AVYPCKFXSA-N 0 0 375.488 3.697 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cs1 ZINC000249460553 891507635 /nfs/dbraw/zinc/50/76/35/891507635.db2.gz ORMSMBDBFGQDDE-FMKPAKJESA-N 0 0 379.526 3.808 10 0 GHAERN CC(=O)N(c1nc(/C=C/C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cs1)c1ccccc1 ZINC000251896727 891660662 /nfs/dbraw/zinc/66/06/62/891660662.db2.gz QQOFVRKHIBGLHW-YHROWNBBSA-N 0 0 397.500 3.525 10 0 GHAERN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(OCc4ccccc4)c3)[C@H]2C1 ZINC000252801623 891750566 /nfs/dbraw/zinc/75/05/66/891750566.db2.gz CPOZOPVEHZSOJT-HJNYFJLDSA-N 0 0 381.472 3.674 10 0 GHAERN C[C@H](O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000252830874 891760360 /nfs/dbraw/zinc/76/03/60/891760360.db2.gz RQZPSUQMJNVLSB-RVHYNSKXSA-N 0 0 379.456 3.516 10 0 GHAERN COc1ccccc1CC1CCN(C(=O)Cc2c(C)nn(C(F)F)c2C)CC1 ZINC000102379039 898007315 /nfs/dbraw/zinc/00/73/15/898007315.db2.gz WAEOSJMGYCPIIJ-UHFFFAOYSA-N 0 0 391.462 3.927 10 0 GHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000102904445 898047453 /nfs/dbraw/zinc/04/74/53/898047453.db2.gz ZJQXYNICYVEZQV-YWZLYKJASA-N 0 0 399.466 3.959 10 0 GHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000105095635 898187032 /nfs/dbraw/zinc/18/70/32/898187032.db2.gz URMDLEJCFKKONI-FQEVSTJZSA-N 0 0 395.482 3.708 10 0 GHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000333215384 900042276 /nfs/dbraw/zinc/04/22/76/900042276.db2.gz KYGDHXFLOIUTPH-CECAUBDESA-N 0 0 391.515 3.691 10 0 GHAERN CC1(C)CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000333223875 900048215 /nfs/dbraw/zinc/04/82/15/900048215.db2.gz FGYNPLKXAGCXFG-XCGNWRKASA-N 0 0 395.507 3.623 10 0 GHAERN C[C@]1(F)CNCCN(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000333255833 901945931 /nfs/dbraw/zinc/94/59/31/901945931.db2.gz DFCSAYZOFROFAR-YWZLYKJASA-N 0 0 388.512 3.581 10 0 GHAERN O=C(CN1NC(=O)CC12CCCCC2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000333698357 902277065 /nfs/dbraw/zinc/27/70/65/902277065.db2.gz CZZQLHMNCFBAKD-UHFFFAOYSA-N 0 0 389.805 3.737 10 0 GHAERN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000282774516 904309244 /nfs/dbraw/zinc/30/92/44/904309244.db2.gz MDGITNFEZDRHQR-QXSJWSMHSA-N 0 0 382.430 3.871 10 0 GHAERN CCOCCOCCOC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000103644251 904397132 /nfs/dbraw/zinc/39/71/32/904397132.db2.gz PLAGPSOSQQRCKG-HOTGVXAUSA-N 0 0 375.490 3.942 10 0 GHAERN CCOc1cc(Br)ccc1NC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183211981 907352184 /nfs/dbraw/zinc/35/21/84/907352184.db2.gz DDEIKWHZNNDWMZ-ZDUSSCGKSA-N 0 0 394.273 3.725 10 0 GHAERN O=C(Nc1ccccc1SC(F)F)c1ccc(-n2cnnn2)cc1Cl ZINC000103735463 907701771 /nfs/dbraw/zinc/70/17/71/907701771.db2.gz AAQNTGUGCWDGSL-UHFFFAOYSA-N 0 0 381.795 3.883 10 0 GHAERN Cc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000188006450 908166611 /nfs/dbraw/zinc/16/66/11/908166611.db2.gz VATWKNPCGOAEGN-JTQLQIEISA-N 0 0 378.306 3.679 10 0 GHAERN CC[C@H](C(=O)N1C[C@@H](OC)C[C@@H]1c1nc(C)no1)c1cccc(C(F)(F)F)c1 ZINC000189094705 908282804 /nfs/dbraw/zinc/28/28/04/908282804.db2.gz GXPQNPYOKQNLMU-HRCADAONSA-N 0 0 397.397 3.879 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000189110971 908284869 /nfs/dbraw/zinc/28/48/69/908284869.db2.gz QDVMVBKTWDUAFE-DLBZAZTESA-N 0 0 389.883 3.832 10 0 GHAERN CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)c2occc2CSc2ccccc2)C1 ZINC000189115076 908284889 /nfs/dbraw/zinc/28/48/89/908284889.db2.gz IXDVIAZZLJXJKK-DOTOQJQBSA-N 0 0 399.472 3.866 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccn(CC(F)(F)F)c2=O)cs1 ZINC000189119449 908286531 /nfs/dbraw/zinc/28/65/31/908286531.db2.gz JWFBWPHYLFOMCW-ZDUSSCGKSA-N 0 0 386.399 3.545 10 0 GHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cs1 ZINC000189136987 908287683 /nfs/dbraw/zinc/28/76/83/908287683.db2.gz VJQKWFSLLMREJE-INIZCTEOSA-N 0 0 397.497 3.504 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000190115148 908429618 /nfs/dbraw/zinc/42/96/18/908429618.db2.gz WYCDJMANRKRRCB-ROUUACIJSA-N 0 0 386.452 3.693 10 0 GHAERN CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)C1 ZINC000190115304 908429675 /nfs/dbraw/zinc/42/96/75/908429675.db2.gz KEMOZAYLUHAUGV-UKRRQHHQSA-N 0 0 394.859 3.813 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccc(N3CCC(C)CC3)c2)C1 ZINC000190130687 908433912 /nfs/dbraw/zinc/43/39/12/908433912.db2.gz WNRCKMWVZZTYEH-OALUTQOASA-N 0 0 399.495 3.608 10 0 GHAERN CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)Nc2cccnc2-c2ccc(C)s2)C1 ZINC000190141277 908438269 /nfs/dbraw/zinc/43/82/69/908438269.db2.gz PSSLCKDJAOQGNA-ZFWWWQNUSA-N 0 0 399.476 3.804 10 0 GHAERN CCCOc1c(Cl)cc(CN2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1OC ZINC000190157572 908443019 /nfs/dbraw/zinc/44/30/19/908443019.db2.gz VIJJLYVBIFSKBN-GDBMZVCRSA-N 0 0 395.887 3.791 10 0 GHAERN Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)CCO2)n1 ZINC000194021867 908909944 /nfs/dbraw/zinc/90/99/44/908909944.db2.gz CBBXZRRUZXASOH-XQQFMLRXSA-N 0 0 377.432 3.656 10 0 GHAERN COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1C ZINC000375538716 928414883 /nfs/dbraw/zinc/41/48/83/928414883.db2.gz DVHZPPQEPYXIJS-SFHVURJKSA-N 0 0 397.450 3.798 10 0 GHAERN CC(=O)N1CC[C@H](NC(=O)N(C)[C@@H](C)c2cccc(O)c2)c2ccc(F)cc2C1 ZINC000185253347 1014576906 /nfs/dbraw/zinc/57/69/06/1014576906.db2.gz BJBYGAZFTZBXGF-QKKBWIMNSA-N 0 0 399.466 3.727 10 0 GHAERN CC(=O)N1CC[C@@H](NC(=O)NC2(c3ccccc3F)CC2)c2ccc(F)cc2C1 ZINC000185249522 1014577444 /nfs/dbraw/zinc/57/74/44/1014577444.db2.gz QBWMACMBLOTFHM-HXUWFJFHSA-N 0 0 399.441 3.747 10 0 GHAERN C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)NCc1ccccc1 ZINC000007243540 230855641 /nfs/dbraw/zinc/85/56/41/230855641.db2.gz MNPGNTMUQCDNCW-QGZVFWFLSA-N 0 0 389.503 3.788 10 0 GHAERN Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@@H]3C(=O)CCCC[C@@H]32)cc1 ZINC000504309314 231310342 /nfs/dbraw/zinc/31/03/42/231310342.db2.gz KCTOZJBUOMNNBJ-URVUXULASA-N 0 0 383.513 3.911 10 0 GHAERN O=c1c(-c2cccc(Cl)c2)cc(-c2ccccc2)nn1CCN1CCOCC1 ZINC000031571509 212159458 /nfs/dbraw/zinc/15/94/58/212159458.db2.gz YKNCRNHKWFDFFP-UHFFFAOYSA-N 0 0 395.890 3.563 10 0 GHAERN CC(C)c1noc([C@@H](Nc2ncc(C(N)=O)cc2Cl)C2CCOCC2)n1 ZINC000328609255 212083946 /nfs/dbraw/zinc/08/39/46/212083946.db2.gz CPWNIJCLVOWKKB-ZDUSSCGKSA-N 0 0 379.848 3.705 10 0 GHAERN CC[C@H](C(=O)NCc1ccc(C)cc1)n1ncn2c(cc3cc(C)ccc32)c1=O ZINC000006803332 220964279 /nfs/dbraw/zinc/96/42/79/220964279.db2.gz FZGKSZKWTUVHEN-LJQANCHMSA-N 0 0 388.471 3.534 10 0 GHAERN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2n1CCO)c1ccccc1 ZINC000008436071 221042716 /nfs/dbraw/zinc/04/27/16/221042716.db2.gz YIZZUZYAHPJVJP-OAQYLSRUSA-N 0 0 385.467 3.742 10 0 GHAERN COc1ccc(-c2cc(-c3ccccc3OC)nc3ncnc(N)c32)c(OC)c1 ZINC000009694531 221090522 /nfs/dbraw/zinc/09/05/22/221090522.db2.gz FJPDLQSAMROESK-UHFFFAOYSA-N 0 0 388.427 3.967 10 0 GHAERN C[C@@H]1CN(CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872445 221133842 /nfs/dbraw/zinc/13/38/42/221133842.db2.gz HJLNRRDGILOEQI-MRXNPFEDSA-N 0 0 393.512 3.709 10 0 GHAERN O=C(c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)N1CCCc2ccccc21 ZINC000013139446 221262750 /nfs/dbraw/zinc/26/27/50/221262750.db2.gz IAMCJURGBBJNLV-PMACEKPBSA-N 0 0 386.451 3.735 10 0 GHAERN Cc1ccc(C)c(NC(=O)c2cnc(NCc3ccc4c(c3)OCO4)nc2C)c1 ZINC000015778386 221344581 /nfs/dbraw/zinc/34/45/81/221344581.db2.gz BQGZNAJKUTYQIE-UHFFFAOYSA-N 0 0 390.443 3.995 10 0 GHAERN COCCCN1C(=O)c2[nH]nc(-c3ccc(C)cc3)c2[C@H]1c1ccc(O)cc1 ZINC000015920652 221352640 /nfs/dbraw/zinc/35/26/40/221352640.db2.gz JEPPWGCIBXYOFB-OAQYLSRUSA-N 0 0 377.444 3.672 10 0 GHAERN O=C1CCCN1CCCNC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000017078010 221377869 /nfs/dbraw/zinc/37/78/69/221377869.db2.gz CINMLECWYDYPBL-UHFFFAOYSA-N 0 0 381.545 3.576 10 0 GHAERN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1CCC(=O)NC ZINC000091563436 136176698 /nfs/dbraw/zinc/17/66/98/136176698.db2.gz GZZKUTRSWCGTLR-JOCHJYFZSA-N 0 0 393.531 3.697 10 0 GHAERN COCC(=O)Nc1cc(C)ccc1N1CCCN(Cc2ccc(C)cc2)C1=O ZINC000034735838 221803378 /nfs/dbraw/zinc/80/33/78/221803378.db2.gz SQULFICIMLZYFM-UHFFFAOYSA-N 0 0 381.476 3.721 10 0 GHAERN O=C(NCCc1csc(-c2ccccc2)n1)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000035226136 221812990 /nfs/dbraw/zinc/81/29/90/221812990.db2.gz VBGSGMLCZDWWOV-LJQANCHMSA-N 0 0 397.544 3.650 10 0 GHAERN CCc1nnc(-c2cn(CC(=O)NCc3cccc(OC)c3)c3ccccc23)o1 ZINC000035422994 221822490 /nfs/dbraw/zinc/82/24/90/221822490.db2.gz QTRFFHPKVKHSIS-UHFFFAOYSA-N 0 0 390.443 3.579 10 0 GHAERN Cc1ccc(-c2nc(N3CCOCC3)sc2C(=O)NCc2ccccc2)cc1 ZINC000036293466 221849759 /nfs/dbraw/zinc/84/97/59/221849759.db2.gz RMOINJXMSMYHQN-UHFFFAOYSA-N 0 0 393.512 3.885 10 0 GHAERN COc1ccccc1CNc1nc2ccccc2nc1C(=O)OC[C@@H]1CCCO1 ZINC000046141178 221972275 /nfs/dbraw/zinc/97/22/75/221972275.db2.gz RUCBRLIUFSMEGL-INIZCTEOSA-N 0 0 393.443 3.586 10 0 GHAERN CC(C)c1cc(C(=O)NCc2cccs2)nc2cc(-c3ccccn3)nn21 ZINC000065246156 222113966 /nfs/dbraw/zinc/11/39/66/222113966.db2.gz SWIHBKSVPQFHAG-UHFFFAOYSA-N 0 0 377.473 3.906 10 0 GHAERN O=C(NC1CC1)c1ccc(OCC2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000065180191 222107037 /nfs/dbraw/zinc/10/70/37/222107037.db2.gz SMLBAHFDZWDENE-UHFFFAOYSA-N 0 0 396.462 3.649 10 0 GHAERN O=C(NCCc1ccncc1)[C@H]1CN(C(=O)c2cccs2)CC12CCCCC2 ZINC000065266273 222119245 /nfs/dbraw/zinc/11/92/45/222119245.db2.gz WBTJVTDWQIWWIE-GOSISDBHSA-N 0 0 397.544 3.525 10 0 GHAERN O=C(OCc1ccccc1)N1CCC[C@@H](Cn2c(CO)nc3ccccc32)C1 ZINC000095078391 222329240 /nfs/dbraw/zinc/32/92/40/222329240.db2.gz NUNQPFNYAMIMTB-GOSISDBHSA-N 0 0 379.460 3.577 10 0 GHAERN CC(=O)c1nc2cccnc2n1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095082731 222329457 /nfs/dbraw/zinc/32/94/57/222329457.db2.gz QUFJBIGQTVQIEP-KRWDZBQOSA-N 0 0 378.432 3.608 10 0 GHAERN CC(C)(C)OC(=O)NC[C@H]1CCCCN1Cc1cnc(Cl)nc1Cl ZINC000095087419 222330967 /nfs/dbraw/zinc/33/09/67/222330967.db2.gz BTEAVVBDPRQPSE-GFCCVEGCSA-N 0 0 375.300 3.663 10 0 GHAERN COc1cc(C(=O)NCC[C@H](O)c2cccc3ccccc32)cc(OC)c1OC ZINC000077117207 222274612 /nfs/dbraw/zinc/27/46/12/222274612.db2.gz GDYKBSXDSIJLAJ-IBGZPJMESA-N 0 0 395.455 3.719 10 0 GHAERN Cc1ccc(S(=O)(=O)n2c(I)cc3ccccc32)cc1 ZINC000095929590 222361225 /nfs/dbraw/zinc/36/12/25/222361225.db2.gz JERQQGZPSOGSPY-UHFFFAOYSA-N 0 0 397.237 3.791 10 0 GHAERN O=C(CN[C@@H](C1CCOCC1)C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 ZINC000096007178 222371286 /nfs/dbraw/zinc/37/12/86/222371286.db2.gz WQRVJKJVIOCRIH-AWEZNQCLSA-N 0 0 385.213 3.879 10 0 GHAERN COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[C@@H]2C)cc(OC)c1OC ZINC000003627629 538790974 /nfs/dbraw/zinc/79/09/74/538790974.db2.gz GTSSTJMQLVKDPC-AWEZNQCLSA-N 0 0 398.459 3.589 10 0 GHAERN CCC(=O)N(Cc1nc(C)c(Cc2cccc(C(F)(F)F)c2)c(=O)[nH]1)C1CC1 ZINC000096318008 570228983 /nfs/dbraw/zinc/22/89/83/570228983.db2.gz PZMVFKAIEBSWSU-UHFFFAOYSA-N 0 0 393.409 3.589 10 0 GHAERN Cc1ccc(Cn2c3nnc(-c4ccccc4O)n3c3ccccc3c2=O)cc1 ZINC000006781151 570283813 /nfs/dbraw/zinc/28/38/13/570283813.db2.gz ZMFJFZVYKDLJDL-UHFFFAOYSA-N 0 0 382.423 3.774 10 0 GHAERN Cc1ccc(S(=O)(=O)Oc2cc(CO)ccc2OCc2ccccc2)cc1 ZINC000022051276 570303145 /nfs/dbraw/zinc/30/31/45/570303145.db2.gz ORXTZEFXNKCLPS-UHFFFAOYSA-N 0 0 384.453 3.834 10 0 in-vitro GHAERN CC[NH+]1CCN(c2ccc(NC(=O)c3ncoc3-c3cccs3)cc2)CC1 ZINC000004932725 570372288 /nfs/dbraw/zinc/37/22/88/570372288.db2.gz KBRWPLUGWACROW-UHFFFAOYSA-N 0 0 382.489 3.797 10 0 GHAERN Cc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)c1 ZINC000006819366 570405096 /nfs/dbraw/zinc/40/50/96/570405096.db2.gz DXJDGZDDEAVLSB-UHFFFAOYSA-N 0 0 392.546 3.780 10 0 GHAERN Cc1ccc(CN(Cc2nc(C(=O)N3CCOCC3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065627 570526748 /nfs/dbraw/zinc/52/67/48/570526748.db2.gz SXUBRZUTKFDEKX-IBGZPJMESA-N 0 0 399.535 3.811 10 0 GHAERN CC[C@@H](C)NC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(C)c2=O)cc1 ZINC000006694819 570537980 /nfs/dbraw/zinc/53/79/80/570537980.db2.gz FDLGPHISJAZTGJ-OAHLLOKOSA-N 0 0 392.459 3.845 10 0 GHAERN O=C([O-])c1c(C[NH2+]C[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1F ZINC000006803281 570605564 /nfs/dbraw/zinc/60/55/64/570605564.db2.gz MGUCJCNCPQPVIS-MRXNPFEDSA-N 0 0 382.435 3.796 10 0 GHAERN COCCn1c2ncccc2nc1[C@H]1CCN(C(=O)Nc2ccc(C)cc2C)C1 ZINC000097944814 570753265 /nfs/dbraw/zinc/75/32/65/570753265.db2.gz UTFBXLVWVALIIK-KRWDZBQOSA-N 0 0 393.491 3.716 10 0 GHAERN Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000583621507 570801865 /nfs/dbraw/zinc/80/18/65/570801865.db2.gz VCOPANMHFAFAJI-MRXNPFEDSA-N 0 0 382.395 3.652 10 0 GHAERN O=C(Cn1cc2c(n1)CCCCC2)Nc1c(F)cc(F)cc1Br ZINC000005148820 570897811 /nfs/dbraw/zinc/89/78/11/570897811.db2.gz UHYDXMIAQWPPLA-UHFFFAOYSA-N 0 0 384.224 3.831 10 0 GHAERN