smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000002655328 1066482098 /nfs/dbraw/zinc/48/20/98/1066482098.db2.gz GJRQGIVJLPLDSC-UHFFFAOYSA-N 0 0 506.550 4.601 20 0 KJADRN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000008804653 1066510968 /nfs/dbraw/zinc/51/09/68/1066510968.db2.gz AUJURFDQQQNYTR-UHFFFAOYSA-N 0 0 500.005 4.680 20 0 KJADRN Cc1csc(SCc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)n1 ZINC000009622568 1066510875 /nfs/dbraw/zinc/51/08/75/1066510875.db2.gz HTXGRXAPFYHLQO-UHFFFAOYSA-N 0 0 500.005 4.773 20 0 KJADRN CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000009803782 1066493002 /nfs/dbraw/zinc/49/30/02/1066493002.db2.gz FPBGBTSLAKLLDT-UHFFFAOYSA-N 0 0 500.005 4.952 20 0 KJADRN COC(=O)c1sccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C ZINC000010558377 1066492905 /nfs/dbraw/zinc/49/29/05/1066492905.db2.gz NYXMVOIJOXNSBF-UHFFFAOYSA-N 0 0 500.005 4.870 20 0 KJADRN O=C(NCc1coc(-c2cccs2)n1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000010717350 1066510951 /nfs/dbraw/zinc/51/09/51/1066510951.db2.gz YEXFXADTGYEAEW-UHFFFAOYSA-N 0 0 500.001 4.738 20 0 KJADRN COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000011060468 1066492956 /nfs/dbraw/zinc/49/29/56/1066492956.db2.gz XBDKDOTWVFCLCU-UHFFFAOYSA-N 0 0 500.001 4.677 20 0 KJADRN COC(=O)c1sccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl ZINC000011063745 1066493535 /nfs/dbraw/zinc/49/35/35/1066493535.db2.gz OIFKUVBYGQTQTK-UHFFFAOYSA-N 0 0 500.001 4.677 20 0 KJADRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)C(=O)Nc2ncccn2)cc1Cl ZINC000011478451 1066511697 /nfs/dbraw/zinc/51/16/97/1066511697.db2.gz PGUVBZZCCWNKQV-VLURKWGBSA-N 0 0 500.005 4.704 20 0 KJADRN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)C(=O)Nc2ncccn2)cc1Cl ZINC000011478457 1066511520 /nfs/dbraw/zinc/51/15/20/1066511520.db2.gz PGUVBZZCCWNKQV-LVLBFHFTSA-N 0 0 500.005 4.704 20 0 KJADRN Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cs1 ZINC000011596693 1066511583 /nfs/dbraw/zinc/51/15/83/1066511583.db2.gz YIBMMQDPJJLZLQ-UHFFFAOYSA-N 0 0 500.005 4.773 20 0 KJADRN Cc1nc(CSc2ccc(C(=O)OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc2)cs1 ZINC000011701370 1066511479 /nfs/dbraw/zinc/51/14/79/1066511479.db2.gz IQDUVPGDCRYLPI-UHFFFAOYSA-N 0 0 500.005 4.773 20 0 KJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnc(-c2ccncc2)n1C ZINC000011978273 1066511571 /nfs/dbraw/zinc/51/15/71/1066511571.db2.gz NUWPGAZMFDFOST-UHFFFAOYSA-N 0 0 500.005 4.776 20 0 KJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nnc(-c2cccnc2)n1C ZINC000012089800 1066511554 /nfs/dbraw/zinc/51/15/54/1066511554.db2.gz ZMSUIMVTGUETGQ-UHFFFAOYSA-N 0 0 500.005 4.776 20 0 KJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000012139727 1066487428 /nfs/dbraw/zinc/48/74/28/1066487428.db2.gz AHRFIFWWCXFMAT-UHFFFAOYSA-N 0 0 519.023 4.755 20 0 KJADRN O=C(OCc1csc(-c2ccccn2)n1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000012238954 1066511671 /nfs/dbraw/zinc/51/16/71/1066511671.db2.gz MCDRUYYMKDGXOC-UHFFFAOYSA-N 0 0 500.001 4.694 20 0 KJADRN O=C(COC(=O)CCn1cnc2sccc2c1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000012871591 1066511646 /nfs/dbraw/zinc/51/16/46/1066511646.db2.gz LJXNBSHSGQRFDL-UHFFFAOYSA-N 0 0 500.001 4.835 20 0 KJADRN O=C(CSc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2o1)N1CCc2ccccc21 ZINC000016206953 1066496965 /nfs/dbraw/zinc/49/69/65/1066496965.db2.gz BJGQFUNLBWGLQY-UHFFFAOYSA-N 0 0 500.001 4.963 20 0 KJADRN O=C(NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)c1cccc(OCc2cscn2)c1 ZINC000017263151 1066511633 /nfs/dbraw/zinc/51/16/33/1066511633.db2.gz VRBNYXZDLVOULZ-JMIUGGIZSA-N 0 0 500.001 4.842 20 0 KJADRN CN(c1ccc(OC(=O)Cc2csc(-c3ccccn3)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000017344820 1066511730 /nfs/dbraw/zinc/51/17/30/1066511730.db2.gz ZKYIHXQAKHXGFR-UHFFFAOYSA-N 0 0 500.001 4.832 20 0 KJADRN O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@H](c1cccs1)c1ccccc1 ZINC000018527374 1066511717 /nfs/dbraw/zinc/51/17/17/1066511717.db2.gz CLMCTVZSZRSDCP-NRFANRHFSA-N 0 0 500.001 4.993 20 0 KJADRN O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)N[C@@H](c1cccs1)c1ccccc1 ZINC000018527376 1066511446 /nfs/dbraw/zinc/51/14/46/1066511446.db2.gz CLMCTVZSZRSDCP-OAQYLSRUSA-N 0 0 500.001 4.993 20 0 KJADRN O=C(Cc1csc(N2CCCC2=O)n1)OCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019476962 1066511689 /nfs/dbraw/zinc/51/16/89/1066511689.db2.gz SFACCHXGJWGYBB-UHFFFAOYSA-N 0 0 500.001 4.839 20 0 KJADRN O=C(OCc1nnsc1Cl)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 ZINC000022033941 1066512255 /nfs/dbraw/zinc/51/22/55/1066512255.db2.gz OEWRKQZJQXXDAS-UHFFFAOYSA-N 0 0 500.001 4.944 20 0 KJADRN CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000022143333 1066512019 /nfs/dbraw/zinc/51/20/19/1066512019.db2.gz CKQPPMVZLSJSER-UHFFFAOYSA-N 0 0 500.001 4.932 20 0 KJADRN Cc1nn(-c2cc(C)ccc2C)c(Cl)c1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000023164140 1066219684 /nfs/dbraw/zinc/21/96/84/1066219684.db2.gz HFVOJVPJQOWWDU-LTGZKZEYSA-N 0 0 500.006 4.932 20 0 KJADRN Cc1nc(-c2cccc(NC(=O)COC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)cs1 ZINC000023220176 1066219726 /nfs/dbraw/zinc/21/97/26/1066219726.db2.gz BNIIDKLNFWAFAV-UHFFFAOYSA-N 0 0 500.001 4.898 20 0 KJADRN Cc1nc2ccccc2n1CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl ZINC000024477468 1066487529 /nfs/dbraw/zinc/48/75/29/1066487529.db2.gz PSAKJLZAIIHRDQ-VWLOTQADSA-N 0 0 500.002 4.637 20 0 KJADRN COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1nc2ccccc2c(=O)n1C ZINC000024786482 1066512082 /nfs/dbraw/zinc/51/20/82/1066512082.db2.gz FBGJJIAWWQTLGQ-UHFFFAOYSA-N 0 0 500.001 4.833 20 0 KJADRN Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000025932344 1066392675 /nfs/dbraw/zinc/39/26/75/1066392675.db2.gz KNGMBLZBXMDDEZ-UHFFFAOYSA-N 0 0 500.001 4.898 20 0 KJADRN COC(=O)c1cc(NC(=O)CSCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)ccc1Cl ZINC000026881118 1066471913 /nfs/dbraw/zinc/47/19/13/1066471913.db2.gz FELLXKPLMOBMSV-UHFFFAOYSA-N 0 0 500.001 4.964 20 0 KJADRN O=C(c1ccc(N2CCCC2=O)cc1)C(C(=S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc([O-])c1 ZINC000027077713 1066488915 /nfs/dbraw/zinc/48/89/15/1066488915.db2.gz SXVLXPZLVQMNFZ-UHFFFAOYSA-O 0 0 500.522 4.876 20 0 KJADRN NC(=O)c1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(Cc3ccccc3)cc2)ccc1[O-] ZINC000027161326 1066394782 /nfs/dbraw/zinc/39/47/82/1066394782.db2.gz MLSHETOFHSTMTJ-UHFFFAOYSA-O 0 0 500.575 4.559 20 0 KJADRN CC(C)C(=O)Nc1ccc(C(=O)C(C(=S)Nc2ccc(OC(F)F)cc2)[n+]2cccc([O-])c2)cc1 ZINC000027188005 1066394731 /nfs/dbraw/zinc/39/47/31/1066394731.db2.gz QZHGPEROVPUKPU-UHFFFAOYSA-O 0 0 500.547 4.927 20 0 KJADRN NC(=O)c1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(Cc3ccccc3)cc2)ccc1[O-] ZINC000027193651 1066394852 /nfs/dbraw/zinc/39/48/52/1066394852.db2.gz HOJUANDVLBWYPQ-UHFFFAOYSA-O 0 0 500.575 4.559 20 0 KJADRN CC(C)(C)c1cc[n+](C(C(=O)c2ccc([O-])c(C(N)=O)c2)C(=S)Nc2ccc(F)c(Cl)c2)cc1 ZINC000027312678 1066394815 /nfs/dbraw/zinc/39/48/15/1066394815.db2.gz VADGHWJDZXAYAF-UHFFFAOYSA-O 0 0 501.003 4.920 20 0 KJADRN CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3SCC#N)cc2Cl)c1 ZINC000029110975 1066475875 /nfs/dbraw/zinc/47/58/75/1066475875.db2.gz YPBBQOXJRLRXLS-UHFFFAOYSA-N 0 0 500.001 4.864 20 0 KJADRN CCOC(=O)CSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1 ZINC000029392615 1066495866 /nfs/dbraw/zinc/49/58/66/1066495866.db2.gz YMYQAERCYLYDBO-UHFFFAOYSA-N 0 0 500.005 4.952 20 0 KJADRN O=C(NCc1cccnc1)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)CC1 ZINC000030655190 1066227351 /nfs/dbraw/zinc/22/73/51/1066227351.db2.gz BYBKYPLZJDSJAY-UHFFFAOYSA-N 0 0 500.002 4.756 20 0 KJADRN O=C(NCc1cccnc1)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000030655543 1066227400 /nfs/dbraw/zinc/22/74/00/1066227400.db2.gz MUIUPUOACOUWEV-UHFFFAOYSA-N 0 0 500.002 4.756 20 0 KJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000031602888 1066371385 /nfs/dbraw/zinc/37/13/85/1066371385.db2.gz GDFGYBDOJDYNKQ-NRFANRHFSA-N 0 0 500.002 4.595 20 0 KJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000031602892 1066371501 /nfs/dbraw/zinc/37/15/01/1066371501.db2.gz GDFGYBDOJDYNKQ-OAQYLSRUSA-N 0 0 500.002 4.595 20 0 KJADRN Cc1nc2ncnn2c(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032521082 1066487544 /nfs/dbraw/zinc/48/75/44/1066487544.db2.gz KNCPPODKZYDQNX-UHFFFAOYSA-N 0 0 500.006 4.838 20 0 KJADRN Cc1nc2ccccc2n1CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl ZINC000069894190 1066488647 /nfs/dbraw/zinc/48/86/47/1066488647.db2.gz PSAKJLZAIIHRDQ-RUZDIDTESA-N 0 0 500.002 4.637 20 0 KJADRN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1Br ZINC000070135758 1066464426 /nfs/dbraw/zinc/46/44/26/1066464426.db2.gz HBFUTYKHKWAGBW-UHFFFAOYSA-N 0 0 500.006 4.784 20 0 KJADRN Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000108024655 1066491584 /nfs/dbraw/zinc/49/15/84/1066491584.db2.gz LOOWAEXROLXMCY-UHFFFAOYSA-N 0 0 500.005 4.923 20 0 KJADRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000108171232 1066471734 /nfs/dbraw/zinc/47/17/34/1066471734.db2.gz HSUACCVWYLEZRY-UHFFFAOYSA-N 0 0 500.002 4.551 20 0 KJADRN COc1cc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)o2)cc(OC)c1OC ZINC000108995612 1066220821 /nfs/dbraw/zinc/22/08/21/1066220821.db2.gz DQMYNJWKXMONBI-HNNXBMFYSA-N 0 0 515.617 4.554 20 0 KJADRN COc1cc(-c2nnc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)o2)cc(OC)c1OC ZINC000108995615 1066221375 /nfs/dbraw/zinc/22/13/75/1066221375.db2.gz DQMYNJWKXMONBI-OAHLLOKOSA-N 0 0 515.617 4.554 20 0 KJADRN O=C(CN1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1)Nc1ccccc1Cl ZINC000109039946 1066196344 /nfs/dbraw/zinc/19/63/44/1066196344.db2.gz NYOOBDIUVMGWNQ-UHFFFAOYSA-N 0 0 500.002 4.589 20 0 KJADRN CNC(=O)c1cc2c(cc1OC)nccc2Oc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1F ZINC000115306389 562828780 /nfs/dbraw/zinc/82/87/80/562828780.db2.gz ORRNXRYWGDUDOG-UHFFFAOYSA-N 0 0 518.570 4.590 20 0 KJADRN CC(=NNC(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCCO)cc2)s1)C1=CSC(c2ccc(Br)cc2)C1=O ZINC000204910265 1067210524 /nfs/dbraw/zinc/21/05/24/1067210524.db2.gz SOHAFPZIBGBALX-KPGMTVGESA-N 0 0 641.569 4.751 20 0 KJADRN Cc1ccc(-n2cnnc2SCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1Cl ZINC000409647738 1067137911 /nfs/dbraw/zinc/13/79/11/1067137911.db2.gz KUZUJOHIFNCOHW-UHFFFAOYSA-N 0 0 500.005 4.855 20 0 KJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2csc(-c3cnccn3)n2)ccc1Cl ZINC000476672049 1066473783 /nfs/dbraw/zinc/47/37/83/1066473783.db2.gz IPEJVUDDLBFOLX-UHFFFAOYSA-N 0 0 500.005 4.721 20 0 KJADRN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000484190098 1066473639 /nfs/dbraw/zinc/47/36/39/1066473639.db2.gz ONGZGPUOOKGAGF-RUZDIDTESA-N 0 0 500.002 4.683 20 0 KJADRN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccc(Cl)cc1 ZINC000484190102 1066473698 /nfs/dbraw/zinc/47/36/98/1066473698.db2.gz ONGZGPUOOKGAGF-VWLOTQADSA-N 0 0 500.002 4.683 20 0 KJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000489939008 1066475775 /nfs/dbraw/zinc/47/57/75/1066475775.db2.gz AMZOFOSNCJLFCD-JOCHJYFZSA-N 0 0 500.002 4.756 20 0 KJADRN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000489939011 1066475733 /nfs/dbraw/zinc/47/57/33/1066475733.db2.gz AMZOFOSNCJLFCD-QFIPXVFZSA-N 0 0 500.002 4.756 20 0 KJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000490172031 1066480131 /nfs/dbraw/zinc/48/01/31/1066480131.db2.gz BNDNZDMVHXMBHD-UHFFFAOYSA-N 0 0 500.005 4.804 20 0 KJADRN O=C(Cc1csc(NC(=O)c2cccs2)n1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000490746603 1066479932 /nfs/dbraw/zinc/47/99/32/1066479932.db2.gz PAELMFUHDJSMOV-UHFFFAOYSA-N 0 0 500.005 4.894 20 0 KJADRN CC(=O)Nc1cccc(-n2nnnc2SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)c1 ZINC000493996975 1066481643 /nfs/dbraw/zinc/48/16/43/1066481643.db2.gz QPJKRQYZOPXAHU-UHFFFAOYSA-N 0 0 500.009 4.708 20 0 KJADRN Cn1cnnc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000494946224 1066479846 /nfs/dbraw/zinc/47/98/46/1066479846.db2.gz GYHZDYURLJTTAB-UHFFFAOYSA-N 0 0 500.005 4.673 20 0 KJADRN Cn1cnnc1Sc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000494949592 1066482336 /nfs/dbraw/zinc/48/23/36/1066482336.db2.gz ZIGAARJQUVOCGT-UHFFFAOYSA-N 0 0 500.005 4.673 20 0 KJADRN Cn1cnnc1Sc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 ZINC000494984256 1066480776 /nfs/dbraw/zinc/48/07/76/1066480776.db2.gz NBULPTCZSLSAHT-UHFFFAOYSA-N 0 0 500.005 4.673 20 0 KJADRN Cn1cnnc1Sc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000494984806 1066480908 /nfs/dbraw/zinc/48/09/08/1066480908.db2.gz SXAKTXRNUCWLSC-UHFFFAOYSA-N 0 0 500.005 4.673 20 0 KJADRN CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cnc(-c3ncccn3)s2)ccc1Cl ZINC000503227353 1066407071 /nfs/dbraw/zinc/40/70/71/1066407071.db2.gz VOGRNNHEBRKJLT-UHFFFAOYSA-N 0 0 500.005 4.721 20 0 KJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000503502115 1066407893 /nfs/dbraw/zinc/40/78/93/1066407893.db2.gz FPRAKIKIHGWOAD-HSZRJFAPSA-N 0 0 500.001 4.708 20 0 KJADRN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000503502116 1066407862 /nfs/dbraw/zinc/40/78/62/1066407862.db2.gz FPRAKIKIHGWOAD-QHCPKHFHSA-N 0 0 500.001 4.708 20 0 KJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000503526158 1066407922 /nfs/dbraw/zinc/40/79/22/1066407922.db2.gz CUHORHSXWHPPSA-HSZRJFAPSA-N 0 0 500.001 4.708 20 0 KJADRN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000503526159 1066407823 /nfs/dbraw/zinc/40/78/23/1066407823.db2.gz CUHORHSXWHPPSA-QHCPKHFHSA-N 0 0 500.001 4.708 20 0 KJADRN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cnc(Sc4nccn4C)c(Cl)c3)s2)c1 ZINC000505292634 1066407776 /nfs/dbraw/zinc/40/77/76/1066407776.db2.gz XKDAAVQYXBYWRO-UHFFFAOYSA-N 0 0 500.005 4.706 20 0 KJADRN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000506465910 1066463627 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CCCCCn1c(CCC(=O)N(CCC)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514292468 1066410635 /nfs/dbraw/zinc/41/06/35/1066410635.db2.gz LPDAVSGCJFZFOF-UHFFFAOYSA-N 0 0 584.121 4.963 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)n2[C@H](C)COC)c1 ZINC000514292477 1066411614 /nfs/dbraw/zinc/41/16/14/1066411614.db2.gz LDFVPFHLOLCRKI-MRXNPFEDSA-N 0 0 570.112 4.706 20 0 KJADRN CCn1c(CSc2nnc(SCc3ccc(OC)cc3)s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292484 1066411691 /nfs/dbraw/zinc/41/16/91/1066411691.db2.gz MWMYKARLRNEEGD-UHFFFAOYSA-N 0 0 577.779 4.522 20 0 KJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000514292497 1066410707 /nfs/dbraw/zinc/41/07/07/1066410707.db2.gz LXLMGYNQBGHOOV-UHFFFAOYSA-N 0 0 571.021 4.847 20 0 KJADRN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)o2)c1 ZINC000514292499 1066410685 /nfs/dbraw/zinc/41/06/85/1066410685.db2.gz LHDNVTZQKAVZFI-UHFFFAOYSA-N 0 0 551.090 4.906 20 0 KJADRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514292517 1066410700 /nfs/dbraw/zinc/41/07/00/1066410700.db2.gz NINLJSQUUFMKSM-FQEVSTJZSA-N 0 0 572.682 4.707 20 0 KJADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C ZINC000514292518 1066410626 /nfs/dbraw/zinc/41/06/26/1066410626.db2.gz MYYGACKBJLRMDM-UHFFFAOYSA-N 0 0 551.090 4.610 20 0 KJADRN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 ZINC000514292522 1066410734 /nfs/dbraw/zinc/41/07/34/1066410734.db2.gz NINLJSQUUFMKSM-HXUWFJFHSA-N 0 0 572.682 4.707 20 0 KJADRN CCOc1cc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(=O)OC)c3C)o2)cc(OCC)c1OCC ZINC000514292544 1066410645 /nfs/dbraw/zinc/41/06/45/1066410645.db2.gz NNGAVOUPWKPHRN-UHFFFAOYSA-N 0 0 503.577 4.639 20 0 KJADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1 ZINC000514292586 1066410662 /nfs/dbraw/zinc/41/06/62/1066410662.db2.gz MCHZAYGEUFFYMX-UHFFFAOYSA-N 0 0 580.132 4.615 20 0 KJADRN O=C(Nc1ccccc1OC(F)F)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000514292619 1066410725 /nfs/dbraw/zinc/41/07/25/1066410725.db2.gz NBQHIPGPWKVRHA-UHFFFAOYSA-N 0 0 512.884 5.000 20 0 KJADRN C[C@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 ZINC000514292636 1066410677 /nfs/dbraw/zinc/41/06/77/1066410677.db2.gz OHFZMIBKHUFZHL-INIZCTEOSA-N 0 0 507.632 4.886 20 0 KJADRN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C ZINC000514292644 1066410668 /nfs/dbraw/zinc/41/06/68/1066410668.db2.gz NLBLSNPWOREZDS-NRFANRHFSA-N 0 0 582.550 4.657 20 0 KJADRN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1C ZINC000514292648 1066410705 /nfs/dbraw/zinc/41/07/05/1066410705.db2.gz NLBLSNPWOREZDS-OAQYLSRUSA-N 0 0 582.550 4.657 20 0 KJADRN CN(Cc1ccc(Br)cc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000514292714 1066410120 /nfs/dbraw/zinc/41/01/20/1066410120.db2.gz PHVFYAFDYIHJOU-UHFFFAOYSA-N 0 0 519.383 4.527 20 0 KJADRN COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 ZINC000514292722 1066410168 /nfs/dbraw/zinc/41/01/68/1066410168.db2.gz PNYZJMDFOYWEET-KZKROUNTSA-N 0 0 563.764 4.676 20 0 KJADRN COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1 ZINC000514292723 1066410227 /nfs/dbraw/zinc/41/02/27/1066410227.db2.gz PNYZJMDFOYWEET-OECZRMQISA-N 0 0 563.764 4.676 20 0 KJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000514292758 1066410691 /nfs/dbraw/zinc/41/06/91/1066410691.db2.gz MLRFZZWWWLKLTF-KRWDZBQOSA-N 0 0 501.414 4.933 20 0 KJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000514292759 1066410643 /nfs/dbraw/zinc/41/06/43/1066410643.db2.gz MLRFZZWWWLKLTF-QGZVFWFLSA-N 0 0 501.414 4.933 20 0 KJADRN CCCn1c(CCC(=O)Nc2ccccc2C(=O)N2CCCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514292769 1066410719 /nfs/dbraw/zinc/41/07/19/1066410719.db2.gz MPRPMRDBYLTPAH-UHFFFAOYSA-N 0 0 553.729 4.674 20 0 KJADRN C[C@@H](NC(=O)CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)c1cccs1 ZINC000514292811 1066410129 /nfs/dbraw/zinc/41/01/29/1066410129.db2.gz OHFZMIBKHUFZHL-MRXNPFEDSA-N 0 0 507.632 4.886 20 0 KJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000514292837 1066410139 /nfs/dbraw/zinc/41/01/39/1066410139.db2.gz MXKKDNJXSOWVAL-GOSISDBHSA-N 0 0 546.646 4.743 20 0 KJADRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000514292839 1066410149 /nfs/dbraw/zinc/41/01/49/1066410149.db2.gz MXKKDNJXSOWVAL-SFHVURJKSA-N 0 0 546.646 4.743 20 0 KJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000514292856 1066410250 /nfs/dbraw/zinc/41/02/50/1066410250.db2.gz NBXYNNLKIXKEJS-UHFFFAOYSA-N 0 0 544.699 4.641 20 0 KJADRN COc1ccc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)n2C[C@H]2CCCO2)cc1 ZINC000514292864 1066410245 /nfs/dbraw/zinc/41/02/45/1066410245.db2.gz OTUQJPCPPCNXGY-GOSISDBHSA-N 0 0 505.015 4.676 20 0 KJADRN COc1ccc(-c2nnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)n2C[C@@H]2CCCO2)cc1 ZINC000514292877 1066410262 /nfs/dbraw/zinc/41/02/62/1066410262.db2.gz OTUQJPCPPCNXGY-SFHVURJKSA-N 0 0 505.015 4.676 20 0 KJADRN O=C(CSc1nnc(CN2CCCCC2)n1Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000514292880 1066410242 /nfs/dbraw/zinc/41/02/42/1066410242.db2.gz OZNYWGLFYMMQKZ-UHFFFAOYSA-N 0 0 574.673 4.899 20 0 KJADRN CCn1c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514292886 1066410153 /nfs/dbraw/zinc/41/01/53/1066410153.db2.gz NJVINEGYNGMOSE-UHFFFAOYSA-N 0 0 569.709 4.522 20 0 KJADRN O=C(Nc1ccccc1N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000514292892 1066410143 /nfs/dbraw/zinc/41/01/43/1066410143.db2.gz PUBFXUIUNPSMMP-UHFFFAOYSA-N 0 0 512.495 4.540 20 0 KJADRN CCOC(=O)C1CCN(C(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)CC1 ZINC000514292932 1066410220 /nfs/dbraw/zinc/41/02/20/1066410220.db2.gz PJWLTCZDUBTNBX-UHFFFAOYSA-N 0 0 523.442 4.787 20 0 KJADRN CC(C)n1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(Cl)cc1Cl ZINC000514292933 1066410161 /nfs/dbraw/zinc/41/01/61/1066410161.db2.gz PMAIXIVDXQFCFX-UHFFFAOYSA-N 0 0 508.431 4.503 20 0 KJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 ZINC000514292938 1066410210 /nfs/dbraw/zinc/41/02/10/1066410210.db2.gz PMYOXPHIBSGKGY-FQEVSTJZSA-N 0 0 591.203 4.725 20 0 KJADRN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 ZINC000514292941 1066410199 /nfs/dbraw/zinc/41/01/99/1066410199.db2.gz PMYOXPHIBSGKGY-HXUWFJFHSA-N 0 0 591.203 4.725 20 0 KJADRN COc1ccc(OC)c(NC(=O)[C@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c1 ZINC000514292977 1066410232 /nfs/dbraw/zinc/41/02/32/1066410232.db2.gz OFCIAZOMUVMPHA-INIZCTEOSA-N 0 0 502.040 4.653 20 0 KJADRN COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2nnc(CN3CCCC3)n2-c2ccc(Cl)cc2)c1 ZINC000514292984 1066410175 /nfs/dbraw/zinc/41/01/75/1066410175.db2.gz OFCIAZOMUVMPHA-MRXNPFEDSA-N 0 0 502.040 4.653 20 0 KJADRN CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000514292994 1066410255 /nfs/dbraw/zinc/41/02/55/1066410255.db2.gz OKFUXUCFXKUMCZ-UHFFFAOYSA-N 0 0 550.106 4.532 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)c1 ZINC000514293021 1066409300 /nfs/dbraw/zinc/40/93/00/1066409300.db2.gz ONKGWECTFYDTNU-JOCHJYFZSA-N 0 0 625.821 4.549 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2CC(C)C)c1 ZINC000514293023 1066409244 /nfs/dbraw/zinc/40/92/44/1066409244.db2.gz ONKGWECTFYDTNU-QFIPXVFZSA-N 0 0 625.821 4.549 20 0 KJADRN CC[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)N(C)C ZINC000514293064 1066409307 /nfs/dbraw/zinc/40/93/07/1066409307.db2.gz PDRXLSLGNDXDOZ-RUZDIDTESA-N 0 0 586.784 4.502 20 0 KJADRN CC[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)N(C)C ZINC000514293065 1066409263 /nfs/dbraw/zinc/40/92/63/1066409263.db2.gz PDRXLSLGNDXDOZ-VWLOTQADSA-N 0 0 586.784 4.502 20 0 KJADRN Cc1sc2nc(S[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(C(C)C)c(=O)c2c1C ZINC000514293073 1066409278 /nfs/dbraw/zinc/40/92/78/1066409278.db2.gz RHXCFMZXWVRDQF-KRWDZBQOSA-N 0 0 511.673 4.573 20 0 KJADRN Cc1sc2nc(S[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(C(C)C)c(=O)c2c1C ZINC000514293079 1066409282 /nfs/dbraw/zinc/40/92/82/1066409282.db2.gz RHXCFMZXWVRDQF-QGZVFWFLSA-N 0 0 511.673 4.573 20 0 KJADRN CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000514293086 1066409246 /nfs/dbraw/zinc/40/92/46/1066409246.db2.gz RONSPSMDZWPDIP-INIZCTEOSA-N 0 0 519.520 4.741 20 0 KJADRN CCCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000514293089 1066409272 /nfs/dbraw/zinc/40/92/72/1066409272.db2.gz RONSPSMDZWPDIP-MRXNPFEDSA-N 0 0 519.520 4.741 20 0 KJADRN CC(C)(C)c1nnc2sc(SCC(=O)Nc3sc4c(c3C(=O)c3ccccc3)CCCC4)nn2c1=O ZINC000514293130 1066409240 /nfs/dbraw/zinc/40/92/40/1066409240.db2.gz SAGJGBZDWVKZFY-UHFFFAOYSA-N 0 0 539.708 4.746 20 0 KJADRN 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CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000514381042 1066425490 /nfs/dbraw/zinc/42/54/90/1066425490.db2.gz ZLKSMMWUDRKQKE-XLIONFOSSA-N 0 0 555.619 4.672 20 0 KJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000514381043 1066424736 /nfs/dbraw/zinc/42/47/36/1066424736.db2.gz ZLKSMMWUDRKQKE-YLJYHZDGSA-N 0 0 555.619 4.672 20 0 KJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC000514381053 1066424795 /nfs/dbraw/zinc/42/47/95/1066424795.db2.gz ZVKRQQMYANQILP-GOSISDBHSA-N 0 0 525.593 4.678 20 0 KJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC000514381054 1066424860 /nfs/dbraw/zinc/42/48/60/1066424860.db2.gz ZVKRQQMYANQILP-SFHVURJKSA-N 0 0 525.593 4.678 20 0 KJADRN CCCCn1c(CCC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514381151 1066425501 /nfs/dbraw/zinc/42/55/01/1066425501.db2.gz ZILAWTCHGSOABN-UHFFFAOYSA-N 0 0 580.538 4.615 20 0 KJADRN 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Cc1cc(C(=O)CSc2nc3ccc(Br)cc3c(=O)n2CC(C)C)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000514381932 1066449250 /nfs/dbraw/zinc/44/92/50/1066449250.db2.gz XRXJVALGLYFQHH-SFHVURJKSA-N 0 0 566.543 4.568 20 0 KJADRN CCOCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000514381970 1066449269 /nfs/dbraw/zinc/44/92/69/1066449269.db2.gz YDAUZFJFDBKSKE-UHFFFAOYSA-N 0 0 547.033 4.845 20 0 KJADRN O=c1[nH]c(CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2C2CCCC2)nc2cc(Cl)ccc12 ZINC000514381983 1066449196 /nfs/dbraw/zinc/44/91/96/1066449196.db2.gz CLONSLUVFKURNP-UHFFFAOYSA-N 0 0 587.127 4.676 20 0 KJADRN C[C@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000514381991 1066449125 /nfs/dbraw/zinc/44/91/25/1066449125.db2.gz YLPQXUQRRWIVHW-KRWDZBQOSA-N 0 0 565.668 4.590 20 0 KJADRN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000514381994 1066449258 /nfs/dbraw/zinc/44/92/58/1066449258.db2.gz YLPQXUQRRWIVHW-QGZVFWFLSA-N 0 0 565.668 4.590 20 0 KJADRN CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000514382019 1066449223 /nfs/dbraw/zinc/44/92/23/1066449223.db2.gz DIUYESJTGJGAQX-UHFFFAOYSA-N 0 0 555.726 4.508 20 0 KJADRN O=C(Nc1ccccc1N1CCCC1)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000514382059 1066449173 /nfs/dbraw/zinc/44/91/73/1066449173.db2.gz DUGRXPWLGCZFOX-UHFFFAOYSA-N 0 0 571.335 4.851 20 0 KJADRN CC[C@H](C)n1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000514382060 1066449246 /nfs/dbraw/zinc/44/92/46/1066449246.db2.gz DUGYQYHSKCTCEC-KRWDZBQOSA-N 0 0 586.740 4.905 20 0 KJADRN CC[C@@H](C)n1c(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000514382061 1066449184 /nfs/dbraw/zinc/44/91/84/1066449184.db2.gz DUGYQYHSKCTCEC-QGZVFWFLSA-N 0 0 586.740 4.905 20 0 KJADRN COCCCn1c(Sc2nc(C)nc3sc(C(=O)OC)c(C)c32)nnc1-c1ccc(OC)c(OC)c1 ZINC000514382140 1066449166 /nfs/dbraw/zinc/44/91/66/1066449166.db2.gz HWTYYHYMSQRSKM-UHFFFAOYSA-N 0 0 529.644 4.558 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c12 ZINC000514382309 1066448883 /nfs/dbraw/zinc/44/88/83/1066448883.db2.gz IVGRVUGTMGBWOU-GOSISDBHSA-N 0 0 525.631 4.800 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc(-c4ccc(F)cc4)c(C)s3)c12 ZINC000514382310 1066448907 /nfs/dbraw/zinc/44/89/07/1066448907.db2.gz IVGRVUGTMGBWOU-SFHVURJKSA-N 0 0 525.631 4.800 20 0 KJADRN CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)sc2c1CCSC2 ZINC000514382321 1066449301 /nfs/dbraw/zinc/44/93/01/1066449301.db2.gz JGWJLWVNJXTIGN-UHFFFAOYSA-N 0 0 562.657 4.772 20 0 KJADRN CC[C@@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)N(C)C ZINC000514382322 1066449231 /nfs/dbraw/zinc/44/92/31/1066449231.db2.gz JHUKPHNJMXPJOK-NRFANRHFSA-N 0 0 564.785 4.720 20 0 KJADRN CC[C@H](c1nnc(Sc2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)n1CCN1CCOCC1)N(C)C ZINC000514382323 1066449114 /nfs/dbraw/zinc/44/91/14/1066449114.db2.gz JHUKPHNJMXPJOK-OAQYLSRUSA-N 0 0 564.785 4.720 20 0 KJADRN CCCCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514382338 1066449284 /nfs/dbraw/zinc/44/92/84/1066449284.db2.gz JSUJXRMEIUUXIV-UHFFFAOYSA-N 0 0 534.480 4.593 20 0 KJADRN O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc2nc(N3CCOCC3)sc2c1 ZINC000514382364 1066448915 /nfs/dbraw/zinc/44/89/15/1066448915.db2.gz KWTTXHGIDVUAHE-UHFFFAOYSA-N 0 0 527.697 4.594 20 0 KJADRN CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(Cc3ccc(F)cc3)C3CCCCC3)CC2)c1 ZINC000514382365 1066448969 /nfs/dbraw/zinc/44/89/69/1066448969.db2.gz KXAXPYFLPBCGML-UHFFFAOYSA-N 0 0 500.636 4.791 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c12 ZINC000514382379 1066437294 /nfs/dbraw/zinc/43/72/94/1066437294.db2.gz LWENCOHNIHDPAU-KRWDZBQOSA-N 0 0 558.686 4.512 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)c12 ZINC000514382380 1066437305 /nfs/dbraw/zinc/43/73/05/1066437305.db2.gz LWENCOHNIHDPAU-QGZVFWFLSA-N 0 0 558.686 4.512 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 ZINC000514382481 1066437314 /nfs/dbraw/zinc/43/73/14/1066437314.db2.gz MTSWBTOWDBZMCB-AWEZNQCLSA-N 0 0 523.840 4.645 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 ZINC000514382482 1066437264 /nfs/dbraw/zinc/43/72/64/1066437264.db2.gz MTSWBTOWDBZMCB-CQSZACIVSA-N 0 0 523.840 4.645 20 0 KJADRN CCOc1ccc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1S(=O)(=O)N1CCCCC1 ZINC000514382544 1066438687 /nfs/dbraw/zinc/43/86/87/1066438687.db2.gz OZQDMISGSGTIEH-UHFFFAOYSA-N 0 0 545.683 4.582 20 0 KJADRN CCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000514382558 1066438625 /nfs/dbraw/zinc/43/86/25/1066438625.db2.gz POUWAQSXQXUXLX-IBGZPJMESA-N 0 0 521.668 4.915 20 0 KJADRN CCc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000514382559 1066438759 /nfs/dbraw/zinc/43/87/59/1066438759.db2.gz POUWAQSXQXUXLX-LJQANCHMSA-N 0 0 521.668 4.915 20 0 KJADRN Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)NCc2nnc3ccccn32)n1C1CCCCC1 ZINC000514382669 1066438040 /nfs/dbraw/zinc/43/80/40/1066438040.db2.gz VBPHQFKXHFPGNC-UHFFFAOYSA-N 0 0 526.066 4.775 20 0 KJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000514382673 1066438075 /nfs/dbraw/zinc/43/80/75/1066438075.db2.gz ACBPEBGQBMGPOT-GOSISDBHSA-N 0 0 569.536 4.944 20 0 KJADRN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000514382674 1066438096 /nfs/dbraw/zinc/43/80/96/1066438096.db2.gz ACBPEBGQBMGPOT-SFHVURJKSA-N 0 0 569.536 4.944 20 0 KJADRN CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000514382686 1066438134 /nfs/dbraw/zinc/43/81/34/1066438134.db2.gz AMFQMASHSXTTOK-UHFFFAOYSA-N 0 0 513.476 4.513 20 0 KJADRN Cc1sc2nc([C@H](C)Sc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)[nH]c(=O)c2c1C ZINC000514382729 1066438169 /nfs/dbraw/zinc/43/81/69/1066438169.db2.gz BTGFKKANLWFFML-INIZCTEOSA-N 0 0 514.652 4.597 20 0 KJADRN Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccc(F)cc4)n3CCN3CCOCC3)[nH]c(=O)c2c1C ZINC000514382730 1066438183 /nfs/dbraw/zinc/43/81/83/1066438183.db2.gz BTGFKKANLWFFML-MRXNPFEDSA-N 0 0 514.652 4.597 20 0 KJADRN CCCCn1c(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nnc1-c1ccc(OC)cc1 ZINC000514382792 1066438139 /nfs/dbraw/zinc/43/81/39/1066438139.db2.gz VURIFSNATHJBAV-UHFFFAOYSA-N 0 0 507.660 4.723 20 0 KJADRN CCn1c(SCc2nc(-c3ccc(OC(F)F)c(OC)c3)no2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514382808 1066438055 /nfs/dbraw/zinc/43/80/55/1066438055.db2.gz ABQORJJVQKNXJC-UHFFFAOYSA-N 0 0 592.650 4.702 20 0 KJADRN Cc1ccccc1[C@H](OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382816 1066438019 /nfs/dbraw/zinc/43/80/19/1066438019.db2.gz AEXAVIQCLNJLOY-FUFSCUOVSA-N 0 0 541.614 4.737 20 0 KJADRN Cc1ccccc1[C@@H](OC[C@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382818 1066438083 /nfs/dbraw/zinc/43/80/83/1066438083.db2.gz AEXAVIQCLNJLOY-GIGWZHCTSA-N 0 0 541.614 4.737 20 0 KJADRN Cc1ccccc1[C@@H](OC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382819 1066438144 /nfs/dbraw/zinc/43/81/44/1066438144.db2.gz AEXAVIQCLNJLOY-OUTSHDOLSA-N 0 0 541.614 4.737 20 0 KJADRN Cc1ccccc1[C@H](OC[C@@H](O)CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382820 1066438103 /nfs/dbraw/zinc/43/81/03/1066438103.db2.gz AEXAVIQCLNJLOY-PWUYWRBVSA-N 0 0 541.614 4.737 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 ZINC000514382905 1066438069 /nfs/dbraw/zinc/43/80/69/1066438069.db2.gz BSXCKWDMNHQLAU-INIZCTEOSA-N 0 0 507.443 4.556 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 ZINC000514382907 1066438157 /nfs/dbraw/zinc/43/81/57/1066438157.db2.gz BSXCKWDMNHQLAU-MRXNPFEDSA-N 0 0 507.443 4.556 20 0 KJADRN CS(=O)(=O)c1ccc(F)c(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000514382934 1066438079 /nfs/dbraw/zinc/43/80/79/1066438079.db2.gz CABIVGGHPNDMDL-UHFFFAOYSA-N 0 0 516.660 4.659 20 0 KJADRN C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000514382957 1066437417 /nfs/dbraw/zinc/43/74/17/1066437417.db2.gz CSSIWISUUDEHDB-KRWDZBQOSA-N 0 0 505.566 4.940 20 0 KJADRN C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000514382958 1066437278 /nfs/dbraw/zinc/43/72/78/1066437278.db2.gz CSSIWISUUDEHDB-QGZVFWFLSA-N 0 0 505.566 4.940 20 0 KJADRN COc1cccc(NCc2nnc(SCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)n2C2CCCCC2)c1 ZINC000514382991 1066438046 /nfs/dbraw/zinc/43/80/46/1066438046.db2.gz AOCLQSRTVIAXSA-UHFFFAOYSA-N 0 0 536.702 4.902 20 0 KJADRN CN(CCOc1ccc(Br)cc1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000514383020 1066437365 /nfs/dbraw/zinc/43/73/65/1066437365.db2.gz BFJAHBRHWJYOTK-UHFFFAOYSA-N 0 0 524.253 4.601 20 0 KJADRN CC(C)[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000514383078 1066437386 /nfs/dbraw/zinc/43/73/86/1066437386.db2.gz FVHBDKDQKTUVMF-HSZRJFAPSA-N 0 0 501.421 4.586 20 0 KJADRN CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000514383088 1066437428 /nfs/dbraw/zinc/43/74/28/1066437428.db2.gz FVHBDKDQKTUVMF-QHCPKHFHSA-N 0 0 501.421 4.586 20 0 KJADRN COc1ccc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3OC)n2)c(OC)c1 ZINC000514383101 1066437332 /nfs/dbraw/zinc/43/73/32/1066437332.db2.gz GIUKKMWYEAEHBV-UHFFFAOYSA-N 0 0 508.604 4.626 20 0 KJADRN CN(Cc1ccc(Br)s1)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000514383115 1066437375 /nfs/dbraw/zinc/43/73/75/1066437375.db2.gz CMQLBQGYXUURSI-UHFFFAOYSA-N 0 0 500.256 4.784 20 0 KJADRN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000514383134 1066437340 /nfs/dbraw/zinc/43/73/40/1066437340.db2.gz ZFANCUJUJLRMNG-KRWDZBQOSA-N 0 0 538.066 4.702 20 0 KJADRN O=C(C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000514383135 1066437256 /nfs/dbraw/zinc/43/72/56/1066437256.db2.gz ZFANCUJUJLRMNG-QGZVFWFLSA-N 0 0 538.066 4.702 20 0 KJADRN CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O ZINC000514383204 1066437270 /nfs/dbraw/zinc/43/72/70/1066437270.db2.gz ILPAAGOPAAGUEV-KRWDZBQOSA-N 0 0 539.658 4.826 20 0 KJADRN CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)oc(C)c1C(C)=O ZINC000514383205 1066437348 /nfs/dbraw/zinc/43/73/48/1066437348.db2.gz ILPAAGOPAAGUEV-QGZVFWFLSA-N 0 0 539.658 4.826 20 0 KJADRN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000514383236 1066437260 /nfs/dbraw/zinc/43/72/60/1066437260.db2.gz FHXDIBZKICSONY-UHFFFAOYSA-N 0 0 546.686 4.924 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4c(cccc4C(F)(F)F)s3)c12 ZINC000514383276 1066437394 /nfs/dbraw/zinc/43/73/94/1066437394.db2.gz FYQGDKUPGSHRKH-CYBMUJFWSA-N 0 0 535.573 4.858 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3nc4c(cccc4C(F)(F)F)s3)c12 ZINC000514383280 1066437321 /nfs/dbraw/zinc/43/73/21/1066437321.db2.gz FYQGDKUPGSHRKH-ZDUSSCGKSA-N 0 0 535.573 4.858 20 0 KJADRN CCCOc1ccc(C(=O)CCC(=O)N(CC)Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)cc1OCCC ZINC000514383355 1066437251 /nfs/dbraw/zinc/43/72/51/1066437251.db2.gz GYYCKOUATXDJIP-UHFFFAOYSA-N 0 0 539.629 4.942 20 0 KJADRN Cc1ccc(-c2csc3[nH]c(CSc4nnc(N5CCOCC5)n4CC(C)C)nc(=O)c23)s1 ZINC000514383390 1066439883 /nfs/dbraw/zinc/43/98/83/1066439883.db2.gz INIHTDCHLSFYIB-UHFFFAOYSA-N 0 0 502.691 4.810 20 0 KJADRN CC(=O)NCCCc1ccc(-c2csc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000514383441 1066439933 /nfs/dbraw/zinc/43/99/33/1066439933.db2.gz DPMKZZMKJJZSHF-UHFFFAOYSA-N 0 0 508.688 4.540 20 0 KJADRN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000514383460 1066439921 /nfs/dbraw/zinc/43/99/21/1066439921.db2.gz DWBTYQXRXCOJKT-UHFFFAOYSA-N 0 0 502.949 4.558 20 0 KJADRN COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)n2)cc1F ZINC000514383530 1066439348 /nfs/dbraw/zinc/43/93/48/1066439348.db2.gz GDVSPSHMTUAXSR-INIZCTEOSA-N 0 0 541.630 4.500 20 0 KJADRN COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)n2)cc1F ZINC000514383532 1066439437 /nfs/dbraw/zinc/43/94/37/1066439437.db2.gz GDVSPSHMTUAXSR-MRXNPFEDSA-N 0 0 541.630 4.500 20 0 KJADRN CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)CC1 ZINC000514383544 1066439847 /nfs/dbraw/zinc/43/98/47/1066439847.db2.gz GIQHKBZLLOGBNZ-IBGZPJMESA-N 0 0 529.707 4.686 20 0 KJADRN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2nnc(CNc3cccc(OC)c3)n2C2CCCCC2)CC1 ZINC000514383545 1066439898 /nfs/dbraw/zinc/43/98/98/1066439898.db2.gz GIQHKBZLLOGBNZ-LJQANCHMSA-N 0 0 529.707 4.686 20 0 KJADRN Cc1c(NC(=O)[C@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C ZINC000514383594 1066439908 /nfs/dbraw/zinc/43/99/08/1066439908.db2.gz HJACFFGOWGZNDL-NRFANRHFSA-N 0 0 697.909 4.792 20 0 KJADRN Cc1c(NC(=O)[C@@H](C)Sc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)s2)c(=O)n(-c2ccccc2)n1C ZINC000514383597 1066439946 /nfs/dbraw/zinc/43/99/46/1066439946.db2.gz 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COc1ccc(CN2CCN([C@H](C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c(OC)c1OC ZINC000514387609 1066445232 /nfs/dbraw/zinc/44/52/32/1066445232.db2.gz KKLWFZNTTRGOGE-OAHLLOKOSA-N 0 0 515.960 4.529 20 0 KJADRN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1 ZINC000514387664 1066445183 /nfs/dbraw/zinc/44/51/83/1066445183.db2.gz HVQGSRUGTXSTKA-UHFFFAOYSA-N 0 0 579.719 4.913 20 0 KJADRN O[C@@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000514387873 1066444565 /nfs/dbraw/zinc/44/45/65/1066444565.db2.gz SLJXNWMAMGREBL-AZUAARDMSA-N 0 0 508.413 4.558 20 0 KJADRN O[C@@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000514387875 1066444648 /nfs/dbraw/zinc/44/46/48/1066444648.db2.gz SLJXNWMAMGREBL-ICSRJNTNSA-N 0 0 508.413 4.558 20 0 KJADRN O[C@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 ZINC000514387876 1066444678 /nfs/dbraw/zinc/44/46/78/1066444678.db2.gz SLJXNWMAMGREBL-QUCCMNQESA-N 0 0 508.413 4.558 20 0 KJADRN O[C@H](COc1ccc(Br)cc1)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000514387878 1066444594 /nfs/dbraw/zinc/44/45/94/1066444594.db2.gz SLJXNWMAMGREBL-UYAOXDASSA-N 0 0 508.413 4.558 20 0 KJADRN Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@H]3CCS(=O)(=O)C3)cc2)cs1 ZINC000514388005 1066444578 /nfs/dbraw/zinc/44/45/78/1066444578.db2.gz LMGWIUJMECEQPO-IBGZPJMESA-N 0 0 507.641 4.661 20 0 KJADRN Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4[C@@H]3CCS(=O)(=O)C3)cc2)cs1 ZINC000514388006 1066444526 /nfs/dbraw/zinc/44/45/26/1066444526.db2.gz LMGWIUJMECEQPO-LJQANCHMSA-N 0 0 507.641 4.661 20 0 KJADRN COc1ccc(C(=O)N2CCC(C(=O)N3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)c2ccccc12 ZINC000514388007 1066444639 /nfs/dbraw/zinc/44/46/39/1066444639.db2.gz LMLTXZRYBUVJTA-GDLZYMKVSA-N 0 0 541.648 4.507 20 0 KJADRN COc1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)CC2)c2ccccc12 ZINC000514388008 1066444580 /nfs/dbraw/zinc/44/45/80/1066444580.db2.gz LMLTXZRYBUVJTA-LJAQVGFWSA-N 0 0 541.648 4.507 20 0 KJADRN CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000514388081 1066444557 /nfs/dbraw/zinc/44/45/57/1066444557.db2.gz ULNINCZMBUSCIO-UHFFFAOYSA-N 0 0 535.954 4.860 20 0 KJADRN O=C(N[C@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000514388088 1066444589 /nfs/dbraw/zinc/44/45/89/1066444589.db2.gz OPTZEZPDSVCETN-IBGZPJMESA-N 0 0 502.555 4.599 20 0 KJADRN O=C(N[C@@H]1CCSc2ccc(F)cc21)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000514388092 1066444532 /nfs/dbraw/zinc/44/45/32/1066444532.db2.gz OPTZEZPDSVCETN-LJQANCHMSA-N 0 0 502.555 4.599 20 0 KJADRN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C ZINC000514388135 1066444615 /nfs/dbraw/zinc/44/46/15/1066444615.db2.gz PKHPBNLFDSOPNJ-UHFFFAOYSA-N 0 0 531.366 4.877 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(C)c4ccccc4n3)n2[C@H](C)COC)c1 ZINC000514388218 1066444572 /nfs/dbraw/zinc/44/45/72/1066444572.db2.gz RBZQCOXEBVCKKN-GOSISDBHSA-N 0 0 540.715 4.727 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nc(C)c4ccccc4n3)n2[C@@H](C)COC)c1 ZINC000514388219 1066444690 /nfs/dbraw/zinc/44/46/90/1066444690.db2.gz RBZQCOXEBVCKKN-SFHVURJKSA-N 0 0 540.715 4.727 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)c12 ZINC000514388509 1066445917 /nfs/dbraw/zinc/44/59/17/1066445917.db2.gz VPBDFUASUMJGJE-KRWDZBQOSA-N 0 0 559.479 4.781 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)c12 ZINC000514388513 1066445883 /nfs/dbraw/zinc/44/58/83/1066445883.db2.gz VPBDFUASUMJGJE-QGZVFWFLSA-N 0 0 559.479 4.781 20 0 KJADRN CCCOc1ccc(CN(CCC)C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1OC ZINC000514388723 1066445943 /nfs/dbraw/zinc/44/59/43/1066445943.db2.gz XEXIEQRWBZJHAW-UHFFFAOYSA-N 0 0 507.557 4.929 20 0 KJADRN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514388820 1066445861 /nfs/dbraw/zinc/44/58/61/1066445861.db2.gz SCNWRYFSISDGOH-UHFFFAOYSA-N 0 0 535.497 4.572 20 0 KJADRN 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CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000514388934 1066445878 /nfs/dbraw/zinc/44/58/78/1066445878.db2.gz VQJDWNIDSUVBGN-LPHOPBHVSA-N 0 0 553.537 4.816 20 0 KJADRN CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514388935 1066445951 /nfs/dbraw/zinc/44/59/51/1066445951.db2.gz VQJDWNIDSUVBGN-QFBILLFUSA-N 0 0 553.537 4.816 20 0 KJADRN CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514388936 1066446001 /nfs/dbraw/zinc/44/60/01/1066446001.db2.gz VQJDWNIDSUVBGN-VQIMIIECSA-N 0 0 553.537 4.816 20 0 KJADRN COc1ccc(Cl)cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000514389000 1066445995 /nfs/dbraw/zinc/44/59/95/1066445995.db2.gz XFHBTYYVRJERLV-UHFFFAOYSA-N 0 0 505.851 4.715 20 0 KJADRN CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NCc3ccc(OC)c(OC)c3)o2)cc(OCC)c1OCC ZINC000514389090 1066445276 /nfs/dbraw/zinc/44/52/76/1066445276.db2.gz YSHWGOQEGKSBNZ-INIZCTEOSA-N 0 0 531.631 4.747 20 0 KJADRN CCOc1cc(-c2nnc(S[C@H](C)C(=O)NCc3ccc(OC)c(OC)c3)o2)cc(OCC)c1OCC ZINC000514389091 1066445141 /nfs/dbraw/zinc/44/51/41/1066445141.db2.gz YSHWGOQEGKSBNZ-MRXNPFEDSA-N 0 0 531.631 4.747 20 0 KJADRN CCOc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1 ZINC000514389116 1066445144 /nfs/dbraw/zinc/44/51/44/1066445144.db2.gz ZKCWVDIGHDOCPU-KRWDZBQOSA-N 0 0 500.621 4.517 20 0 KJADRN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(OC)c(OC)c3)n2CCCOC)cc1 ZINC000514389117 1066445252 /nfs/dbraw/zinc/44/52/52/1066445252.db2.gz ZKCWVDIGHDOCPU-QGZVFWFLSA-N 0 0 500.621 4.517 20 0 KJADRN CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(C[C@H]4CCS(=O)(=O)C4)n3C)n(-c3ccccc3)n2)cc1 ZINC000514389121 1066445204 /nfs/dbraw/zinc/44/52/04/1066445204.db2.gz ZQRBCKCZEBNYSZ-JOCHJYFZSA-N 0 0 578.764 4.718 20 0 KJADRN CCCCc1ccc(-c2cc(NC(=O)CSc3nnc(C[C@@H]4CCS(=O)(=O)C4)n3C)n(-c3ccccc3)n2)cc1 ZINC000514389122 1066445969 /nfs/dbraw/zinc/44/59/69/1066445969.db2.gz ZQRBCKCZEBNYSZ-QFIPXVFZSA-N 0 0 578.764 4.718 20 0 KJADRN 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CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000514389576 1066447104 /nfs/dbraw/zinc/44/71/04/1066447104.db2.gz KDTWPZYHTOUSIO-IBGZPJMESA-N 0 0 518.985 4.828 20 0 KJADRN CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000514389577 1066447040 /nfs/dbraw/zinc/44/70/40/1066447040.db2.gz KDTWPZYHTOUSIO-LJQANCHMSA-N 0 0 518.985 4.828 20 0 KJADRN Cc1nc(-c2ccc(CCNC(=O)C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)s2)cs1 ZINC000514389589 1066447065 /nfs/dbraw/zinc/44/70/65/1066447065.db2.gz KPESQTZZXSYETG-UHFFFAOYSA-N 0 0 543.658 4.958 20 0 KJADRN CC(C)OC(=O)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000514389596 1066447124 /nfs/dbraw/zinc/44/71/24/1066447124.db2.gz KRCCXHBGJQSNFY-JOCHJYFZSA-N 0 0 501.421 4.501 20 0 KJADRN CC(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000514389597 1066447071 /nfs/dbraw/zinc/44/70/71/1066447071.db2.gz KRCCXHBGJQSNFY-QFIPXVFZSA-N 0 0 501.421 4.501 20 0 KJADRN 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CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2[C@@H](C)COC)c1 ZINC000514391738 1066454140 /nfs/dbraw/zinc/45/41/40/1066454140.db2.gz PUXWRKIWNHKQPF-PMACEKPBSA-N 0 0 577.748 4.634 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)n2[C@H](C)COC)c1 ZINC000514391746 1066454168 /nfs/dbraw/zinc/45/41/68/1066454168.db2.gz PUXWRKIWNHKQPF-UXHICEINSA-N 0 0 577.748 4.634 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)n2[C@@H](C)COC)c1 ZINC000514391748 1066454131 /nfs/dbraw/zinc/45/41/31/1066454131.db2.gz PUXWRKIWNHKQPF-VQTJNVASSA-N 0 0 577.748 4.634 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)n2[C@H](C)COC)c1 ZINC000514391749 1066454230 /nfs/dbraw/zinc/45/42/30/1066454230.db2.gz PUXWRKIWNHKQPF-WOJBJXKFSA-N 0 0 577.748 4.634 20 0 KJADRN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CC2 ZINC000514391767 1066454203 /nfs/dbraw/zinc/45/42/03/1066454203.db2.gz ODQVNZROGYIPBJ-DEOSSOPVSA-N 0 0 572.613 4.613 20 0 KJADRN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CC2 ZINC000514391768 1066454243 /nfs/dbraw/zinc/45/42/43/1066454243.db2.gz ODQVNZROGYIPBJ-XMMPIXPASA-N 0 0 572.613 4.613 20 0 KJADRN O=C(Nc1nc2c(cccc2C(F)(F)F)s1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000514391785 1066454261 /nfs/dbraw/zinc/45/42/61/1066454261.db2.gz OPAMYDICXIHQOJ-UHFFFAOYSA-N 0 0 515.443 4.627 20 0 KJADRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000514391800 1066454288 /nfs/dbraw/zinc/45/42/88/1066454288.db2.gz OQGYXCHVIRYGRD-UHFFFAOYSA-N 0 0 563.024 4.746 20 0 KJADRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nc(C2CC2)nn1-c1ccccc1 ZINC000514391854 1066448971 /nfs/dbraw/zinc/44/89/71/1066448971.db2.gz PGKINWRNHDTNHZ-UHFFFAOYSA-N 0 0 523.659 4.510 20 0 KJADRN CCCn1c(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514391860 1066448927 /nfs/dbraw/zinc/44/89/27/1066448927.db2.gz PHRCDRTXWNMWDN-DEOSSOPVSA-N 0 0 554.713 4.544 20 0 KJADRN CCCn1c(CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514391862 1066448932 /nfs/dbraw/zinc/44/89/32/1066448932.db2.gz PHRCDRTXWNMWDN-XMMPIXPASA-N 0 0 554.713 4.544 20 0 KJADRN COc1cc(-c2nnc(SCC(=O)NCc3ccccc3CN3CCOCC3)n2C2CCCCC2)cc(OC)c1OC ZINC000514391902 1066437401 /nfs/dbraw/zinc/43/74/01/1066437401.db2.gz PXKDYAAZHWWHHR-UHFFFAOYSA-N 0 0 595.766 4.717 20 0 KJADRN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514391935 1066441908 /nfs/dbraw/zinc/44/19/08/1066441908.db2.gz QKKWQFDCFQRKDR-UHFFFAOYSA-N 0 0 519.627 4.650 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)o2)c1 ZINC000514392190 1066448910 /nfs/dbraw/zinc/44/89/10/1066448910.db2.gz VKAIEFBOPIRNBF-JOCHJYFZSA-N 0 0 520.652 4.512 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)N[C@H](c3ccc(F)cc3)C(C)C)o2)c1 ZINC000514392192 1066448958 /nfs/dbraw/zinc/44/89/58/1066448958.db2.gz VKAIEFBOPIRNBF-QFIPXVFZSA-N 0 0 520.652 4.512 20 0 KJADRN CCCCCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1nc(C)c(C(=O)OCC)s1 ZINC000514392333 1066448949 /nfs/dbraw/zinc/44/89/49/1066448949.db2.gz VOIGFQXENCEOIB-UHFFFAOYSA-N 0 0 553.611 4.525 20 0 KJADRN O=C(CCSc1nnc(C2CC2)n1Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000514392427 1066456250 /nfs/dbraw/zinc/45/62/50/1066456250.db2.gz VXHAJEJWDWISCD-UHFFFAOYSA-N 0 0 546.118 4.763 20 0 KJADRN COCCCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514392447 1066456163 /nfs/dbraw/zinc/45/61/63/1066456163.db2.gz XDTVITREDGDHSF-DEOSSOPVSA-N 0 0 516.639 4.744 20 0 KJADRN COCCCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514392448 1066456331 /nfs/dbraw/zinc/45/63/31/1066456331.db2.gz XDTVITREDGDHSF-XMMPIXPASA-N 0 0 516.639 4.744 20 0 KJADRN CCOC(=O)c1ccsc1NC(=O)CSc1nnc(-c2cc(OCC)c(OCC)c(OCC)c2)o1 ZINC000514392481 1066456239 /nfs/dbraw/zinc/45/62/39/1066456239.db2.gz XQEFRANNMUGCRZ-UHFFFAOYSA-N 0 0 521.617 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CC[C@@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)N(C)C ZINC000514392529 1066456204 /nfs/dbraw/zinc/45/62/04/1066456204.db2.gz XMQKLVPDRJHHTO-FQEVSTJZSA-N 0 0 532.066 4.834 20 0 KJADRN CC[C@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)N(C)C ZINC000514392531 1066456300 /nfs/dbraw/zinc/45/63/00/1066456300.db2.gz XMQKLVPDRJHHTO-HXUWFJFHSA-N 0 0 532.066 4.834 20 0 KJADRN COC(=O)CCCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000514392533 1066456265 /nfs/dbraw/zinc/45/62/65/1066456265.db2.gz YLRWFWXTWXFNBN-UHFFFAOYSA-N 0 0 534.034 4.531 20 0 KJADRN CCOc1ccc([C@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C(C)C)cc1OCC ZINC000514392560 1066456324 /nfs/dbraw/zinc/45/63/24/1066456324.db2.gz YBAFJGCQTQDERE-HSZRJFAPSA-N 0 0 534.583 4.670 20 0 KJADRN CCOc1ccc([C@@H](NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C(C)C)cc1OCC ZINC000514392564 1066456337 /nfs/dbraw/zinc/45/63/37/1066456337.db2.gz YBAFJGCQTQDERE-QHCPKHFHSA-N 0 0 534.583 4.670 20 0 KJADRN 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CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1 ZINC000514395442 1066461032 /nfs/dbraw/zinc/46/10/32/1066461032.db2.gz KNGHGDRKFPBTRE-KRWDZBQOSA-N 0 0 531.078 4.688 20 0 KJADRN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CCCOC)c1 ZINC000514395443 1066461119 /nfs/dbraw/zinc/46/11/19/1066461119.db2.gz KNGHGDRKFPBTRE-QGZVFWFLSA-N 0 0 531.078 4.688 20 0 KJADRN CCCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000514395445 1066461028 /nfs/dbraw/zinc/46/10/28/1066461028.db2.gz KUYMJEVNKQBTBW-UHFFFAOYSA-N 0 0 571.647 4.795 20 0 KJADRN CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000514395449 1066461127 /nfs/dbraw/zinc/46/11/27/1066461127.db2.gz KYUVJRNYJKPAKE-INIZCTEOSA-N 0 0 509.072 4.764 20 0 KJADRN CCC(CC)n1c(COc2ccccc2Cl)nnc1S[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 ZINC000514395450 1066461095 /nfs/dbraw/zinc/46/10/95/1066461095.db2.gz KYUVJRNYJKPAKE-MRXNPFEDSA-N 0 0 509.072 4.764 20 0 KJADRN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395458 1066461017 /nfs/dbraw/zinc/46/10/17/1066461017.db2.gz LBFORMMBXFOFPD-HKUYNNGSSA-N 0 0 519.627 4.886 20 0 KJADRN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395459 1066461066 /nfs/dbraw/zinc/46/10/66/1066461066.db2.gz LBFORMMBXFOFPD-IEBWSBKVSA-N 0 0 519.627 4.886 20 0 KJADRN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395460 1066461627 /nfs/dbraw/zinc/46/16/27/1066461627.db2.gz LBFORMMBXFOFPD-MJGOQNOKSA-N 0 0 519.627 4.886 20 0 KJADRN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395461 1066461580 /nfs/dbraw/zinc/46/15/80/1066461580.db2.gz LBFORMMBXFOFPD-PKOBYXMFSA-N 0 0 519.627 4.886 20 0 KJADRN CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)c1 ZINC000514395468 1066461598 /nfs/dbraw/zinc/46/15/98/1066461598.db2.gz LFTJUUNBPPBZLV-IBGZPJMESA-N 0 0 534.686 4.692 20 0 KJADRN CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc3n2c2ccccc2c(=O)n3CCC(C)C)c1 ZINC000514395469 1066461689 /nfs/dbraw/zinc/46/16/89/1066461689.db2.gz LFTJUUNBPPBZLV-LJQANCHMSA-N 0 0 534.686 4.692 20 0 KJADRN COCCCn1c(S[C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nnc1-c1ccccc1Cl ZINC000514395478 1066461572 /nfs/dbraw/zinc/46/15/72/1066461572.db2.gz LNBXGVQPROPWIE-KRWDZBQOSA-N 0 0 519.067 4.791 20 0 KJADRN COCCCn1c(S[C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)nnc1-c1ccccc1Cl ZINC000514395479 1066461640 /nfs/dbraw/zinc/46/16/40/1066461640.db2.gz LNBXGVQPROPWIE-QGZVFWFLSA-N 0 0 519.067 4.791 20 0 KJADRN CCOc1cc(-c2nnc(S[C@@H](C)C(=O)NCc3cccc(OC)c3)o2)cc(OCC)c1OCC ZINC000514395500 1066461064 /nfs/dbraw/zinc/46/10/64/1066461064.db2.gz MBLALZPFBIEAIV-INIZCTEOSA-N 0 0 501.605 4.738 20 0 KJADRN CCOc1cc(-c2nnc(S[C@H](C)C(=O)NCc3cccc(OC)c3)o2)cc(OCC)c1OCC ZINC000514395501 1066461144 /nfs/dbraw/zinc/46/11/44/1066461144.db2.gz MBLALZPFBIEAIV-MRXNPFEDSA-N 0 0 501.605 4.738 20 0 KJADRN 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CCCCn1c(SCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)nc2sc(C)c(C)c2c1=O ZINC000514395697 1066461023 /nfs/dbraw/zinc/46/10/23/1066461023.db2.gz QOVHXFRBIBMELN-UHFFFAOYSA-N 0 0 512.701 4.519 20 0 KJADRN COCCCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514395723 1066460435 /nfs/dbraw/zinc/46/04/35/1066460435.db2.gz RICLMJXCRPEEHK-MOPGFXCFSA-N 0 0 510.660 4.847 20 0 KJADRN COCCCn1c(S[C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514395724 1066460449 /nfs/dbraw/zinc/46/04/49/1066460449.db2.gz RICLMJXCRPEEHK-OALUTQOASA-N 0 0 510.660 4.847 20 0 KJADRN COCCCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514395725 1066460489 /nfs/dbraw/zinc/46/04/89/1066460489.db2.gz RICLMJXCRPEEHK-RBUKOAKNSA-N 0 0 510.660 4.847 20 0 KJADRN COCCCn1c(S[C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514395726 1066460532 /nfs/dbraw/zinc/46/05/32/1066460532.db2.gz RICLMJXCRPEEHK-RTBURBONSA-N 0 0 510.660 4.847 20 0 KJADRN C[C@H](c1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)n1-c1ccc(Cl)cc1)N(C)C ZINC000514395751 1066460520 /nfs/dbraw/zinc/46/05/20/1066460520.db2.gz SDANGUJSFUIDRZ-CVEARBPZSA-N 0 0 502.040 4.824 20 0 KJADRN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395752 1066460494 /nfs/dbraw/zinc/46/04/94/1066460494.db2.gz SDANGUJSFUIDRZ-HOTGVXAUSA-N 0 0 502.040 4.824 20 0 KJADRN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395753 1066460443 /nfs/dbraw/zinc/46/04/43/1066460443.db2.gz SDANGUJSFUIDRZ-HZPDHXFCSA-N 0 0 502.040 4.824 20 0 KJADRN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000514395754 1066460437 /nfs/dbraw/zinc/46/04/37/1066460437.db2.gz SDANGUJSFUIDRZ-JKSUJKDBSA-N 0 0 502.040 4.824 20 0 KJADRN COCCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1C1CC1 ZINC000514395779 1066460484 /nfs/dbraw/zinc/46/04/84/1066460484.db2.gz STMHOZCYHKCZHH-HNNXBMFYSA-N 0 0 513.586 4.767 20 0 KJADRN 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CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C45CC6CC(CC(C6)C4)C5)cc3)sc2c1 ZINC000514402515 1066451675 /nfs/dbraw/zinc/45/16/75/1066451675.db2.gz AZUKKJIZXYDEFH-UHFFFAOYSA-N 0 0 523.680 4.785 20 0 KJADRN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000514402550 1066451694 /nfs/dbraw/zinc/45/16/94/1066451694.db2.gz OXYKPEQGWJPGRC-UHFFFAOYSA-N 0 0 513.660 4.935 20 0 KJADRN Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000514402554 1066452425 /nfs/dbraw/zinc/45/24/25/1066452425.db2.gz PANQTWYQIICWCX-FQEVSTJZSA-N 0 0 528.078 4.787 20 0 KJADRN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC000514402557 1066452443 /nfs/dbraw/zinc/45/24/43/1066452443.db2.gz CMSWESRTFGRJAR-UHFFFAOYSA-N 0 0 532.504 4.915 20 0 KJADRN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000514402558 1066452319 /nfs/dbraw/zinc/45/23/19/1066452319.db2.gz PANQTWYQIICWCX-HXUWFJFHSA-N 0 0 528.078 4.787 20 0 KJADRN COc1ccc(CN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)[C@@H](C)Cc2cccs2)cc1 ZINC000514402635 1066451493 /nfs/dbraw/zinc/45/14/93/1066451493.db2.gz DDZMMAGRTTWXES-NRFANRHFSA-N 0 0 567.737 4.578 20 0 KJADRN COc1ccc(CN(C(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)[C@H](C)Cc2cccs2)cc1 ZINC000514402637 1066451712 /nfs/dbraw/zinc/45/17/12/1066451712.db2.gz DDZMMAGRTTWXES-OAQYLSRUSA-N 0 0 567.737 4.578 20 0 KJADRN CC[C@@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)N(C)C ZINC000514402752 1066451600 /nfs/dbraw/zinc/45/16/00/1066451600.db2.gz MFOGESZHVQCLRG-KRWDZBQOSA-N 0 0 669.282 4.641 20 0 KJADRN CC[C@H](c1nnc(SCC(=O)Nc2c(Br)cc(Br)cc2Br)n1CCN1CCOCC1)N(C)C ZINC000514402753 1066451654 /nfs/dbraw/zinc/45/16/54/1066451654.db2.gz MFOGESZHVQCLRG-QGZVFWFLSA-N 0 0 669.282 4.641 20 0 KJADRN CCn1c(S[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514402754 1066451684 /nfs/dbraw/zinc/45/16/84/1066451684.db2.gz MGPYMYARLNGERG-KRWDZBQOSA-N 0 0 534.107 4.831 20 0 KJADRN CCn1c(S[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514402755 1066451583 /nfs/dbraw/zinc/45/15/83/1066451583.db2.gz MGPYMYARLNGERG-QGZVFWFLSA-N 0 0 534.107 4.831 20 0 KJADRN COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c(OC)cc1Cl ZINC000514402771 1066451622 /nfs/dbraw/zinc/45/16/22/1066451622.db2.gz NBBNNHBQSSVBMP-UHFFFAOYSA-N 0 0 506.024 4.613 20 0 KJADRN COCCCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402801 1066451591 /nfs/dbraw/zinc/45/15/91/1066451591.db2.gz DVOULHCRFPGAMB-DEOSSOPVSA-N 0 0 526.659 4.957 20 0 KJADRN COCCCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C(C)C)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402802 1066451507 /nfs/dbraw/zinc/45/15/07/1066451507.db2.gz DVOULHCRFPGAMB-XMMPIXPASA-N 0 0 526.659 4.957 20 0 KJADRN CC(C)C(=O)N1CCC(C(=O)N2CCN(Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC1 ZINC000514402868 1066451558 /nfs/dbraw/zinc/45/15/58/1066451558.db2.gz SFEZSRGEDSPBJT-UHFFFAOYSA-N 0 0 518.521 4.716 20 0 KJADRN COc1ccc([C@H]2CCCN2C(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1OC ZINC000514402891 1066451501 /nfs/dbraw/zinc/45/15/01/1066451501.db2.gz SPCJEQSHAXXRKX-GOSISDBHSA-N 0 0 503.024 4.521 20 0 KJADRN COc1ccc([C@@H]2CCCN2C(=O)CSc2nnc(COc3ccccc3Cl)n2C)cc1OC ZINC000514402893 1066451644 /nfs/dbraw/zinc/45/16/44/1066451644.db2.gz SPCJEQSHAXXRKX-SFHVURJKSA-N 0 0 503.024 4.521 20 0 KJADRN CCOc1ccc(NC(=O)CSc2nnc([C@H](CC)N(C)C)n2-c2ccc(OC)cc2)cc1OCC ZINC000514402919 1066451725 /nfs/dbraw/zinc/45/17/25/1066451725.db2.gz HHMBXCNSULTEMZ-NRFANRHFSA-N 0 0 513.664 4.817 20 0 KJADRN CCOc1ccc(NC(=O)CSc2nnc([C@@H](CC)N(C)C)n2-c2ccc(OC)cc2)cc1OCC ZINC000514402920 1066451513 /nfs/dbraw/zinc/45/15/13/1066451513.db2.gz HHMBXCNSULTEMZ-OAQYLSRUSA-N 0 0 513.664 4.817 20 0 KJADRN CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OCC(F)(F)F)s1 ZINC000514402957 1066451521 /nfs/dbraw/zinc/45/15/21/1066451521.db2.gz UOZRCYZLUVTWOL-UHFFFAOYSA-N 0 0 504.552 4.709 20 0 KJADRN COCCCn1c(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)nnc1-c1ccc(OC)c(OC)c1 ZINC000514403013 1066451631 /nfs/dbraw/zinc/45/16/31/1066451631.db2.gz OLXPOORBNWVGQT-UHFFFAOYSA-N 0 0 549.049 4.544 20 0 KJADRN COc1ccc(CSc2nnc(SCC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)s2)cc1 ZINC000514403083 1066451708 /nfs/dbraw/zinc/45/17/08/1066451708.db2.gz RGOZQVCQIFOCCT-UHFFFAOYSA-N 0 0 597.710 4.733 20 0 KJADRN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000514403195 1066451056 /nfs/dbraw/zinc/45/10/56/1066451056.db2.gz WWNFJPCTRFPQJO-NRFANRHFSA-N 0 0 591.553 4.581 20 0 KJADRN O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000514403198 1066451008 /nfs/dbraw/zinc/45/10/08/1066451008.db2.gz WWNFJPCTRFPQJO-OAQYLSRUSA-N 0 0 591.553 4.581 20 0 KJADRN Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccccc2SCC(=O)NC23CC4CC(CC(C4)C2)C3)c1C ZINC000514403267 1066450918 /nfs/dbraw/zinc/45/09/18/1066450918.db2.gz KXBGAUJSFHKFJL-UHFFFAOYSA-N 0 0 555.766 4.983 20 0 KJADRN CCCCn1c(CCC(=O)N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)nc2c1c(=O)[nH]c(=O)n2CCCC 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ZINC000514403601 1066453705 /nfs/dbraw/zinc/45/37/05/1066453705.db2.gz VPYLICCEVPQYHG-UHFFFAOYSA-N 0 0 521.622 4.610 20 0 KJADRN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)o1 ZINC000514403614 1066453615 /nfs/dbraw/zinc/45/36/15/1066453615.db2.gz ODHMSQNIVUNPOD-UHFFFAOYSA-N 0 0 502.662 4.623 20 0 KJADRN O=C(CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514403617 1066453659 /nfs/dbraw/zinc/45/36/59/1066453659.db2.gz OEJROEPTARJRFA-NRFANRHFSA-N 0 0 530.654 4.853 20 0 KJADRN O=C(CCSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514403620 1066453724 /nfs/dbraw/zinc/45/37/24/1066453724.db2.gz OEJROEPTARJRFA-OAQYLSRUSA-N 0 0 530.654 4.853 20 0 KJADRN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 ZINC000514403721 1066453607 /nfs/dbraw/zinc/45/36/07/1066453607.db2.gz ZZNMULNWKWTFPR-INIZCTEOSA-N 0 0 502.662 4.500 20 0 KJADRN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccnc2SCc2c(C)noc2C)cc1 ZINC000514403722 1066453651 /nfs/dbraw/zinc/45/36/51/1066453651.db2.gz ZZNMULNWKWTFPR-MRXNPFEDSA-N 0 0 502.662 4.500 20 0 KJADRN C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000514403780 1066453624 /nfs/dbraw/zinc/45/36/24/1066453624.db2.gz QDQRTLIMEKTSFU-KRWDZBQOSA-N 0 0 592.585 4.700 20 0 KJADRN C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000514403782 1066453819 /nfs/dbraw/zinc/45/38/19/1066453819.db2.gz QDQRTLIMEKTSFU-QGZVFWFLSA-N 0 0 592.585 4.700 20 0 KJADRN CCCCN(C(=O)CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000514403818 1066453684 /nfs/dbraw/zinc/45/36/84/1066453684.db2.gz QWLMODUVBXLGEN-UHFFFAOYSA-N 0 0 568.725 4.775 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N(CC)c3ccccc3)n2[C@@H](C)COC)c1 ZINC000514403923 1066453589 /nfs/dbraw/zinc/45/35/89/1066453589.db2.gz UETXCURTGMAWAH-LEWJYISDSA-N 0 0 559.758 4.717 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@H](C)C(=O)N(CC)c3ccccc3)n2[C@H](C)COC)c1 ZINC000514403924 1066453634 /nfs/dbraw/zinc/45/36/34/1066453634.db2.gz UETXCURTGMAWAH-NHCUHLMSSA-N 0 0 559.758 4.717 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N(CC)c3ccccc3)n2[C@H](C)COC)c1 ZINC000514403925 1066453695 /nfs/dbraw/zinc/45/36/95/1066453695.db2.gz UETXCURTGMAWAH-RTWAWAEBSA-N 0 0 559.758 4.717 20 0 KJADRN CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S[C@@H](C)C(=O)N(CC)c3ccccc3)n2[C@@H](C)COC)c1 ZINC000514403926 1066453781 /nfs/dbraw/zinc/45/37/81/1066453781.db2.gz UETXCURTGMAWAH-SFTDATJTSA-N 0 0 559.758 4.717 20 0 KJADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404010 1066452915 /nfs/dbraw/zinc/45/29/15/1066452915.db2.gz WANRUCHKULZZJZ-JOCHJYFZSA-N 0 0 544.681 4.575 20 0 KJADRN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C[C@@H]1CCCO1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000514404014 1066452876 /nfs/dbraw/zinc/45/28/76/1066452876.db2.gz WANRUCHKULZZJZ-QFIPXVFZSA-N 0 0 544.681 4.575 20 0 KJADRN Cn1c(CCC(=O)Nc2ccc(Br)cc2Cl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000514404077 1066452869 /nfs/dbraw/zinc/45/28/69/1066452869.db2.gz XTMADTWEXRSZMR-UHFFFAOYSA-N 0 0 539.883 4.735 20 0 KJADRN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 ZINC000514404086 1066452813 /nfs/dbraw/zinc/45/28/13/1066452813.db2.gz YEDJVQJGICMSGZ-DEOSSOPVSA-N 0 0 525.671 4.685 20 0 KJADRN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc3ccccc3c(=O)n2CCCOC(C)C)c1 ZINC000514404087 1066452885 /nfs/dbraw/zinc/45/28/85/1066452885.db2.gz YEDJVQJGICMSGZ-XMMPIXPASA-N 0 0 525.671 4.685 20 0 KJADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000514404091 1066452844 /nfs/dbraw/zinc/45/28/44/1066452844.db2.gz YIZFDBDGRZAKSE-UHFFFAOYSA-N 0 0 516.645 4.671 20 0 KJADRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c12 ZINC000514404104 1066452924 /nfs/dbraw/zinc/45/29/24/1066452924.db2.gz YYWCSDJJNXOJOJ-GOSISDBHSA-N 0 0 559.479 4.781 20 0 KJADRN Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c12 ZINC000514404105 1066453599 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O=C(Cc1ccccc1-c1cccnc1)N1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1 ZINC001177974345 1066510507 /nfs/dbraw/zinc/51/05/07/1066510507.db2.gz FYPCGAHBZVFCSH-UHFFFAOYSA-N 0 0 500.002 4.662 20 0 KJADRN O=C(Nc1ccncc1Oc1ccccc1)[C@@H](c1cccnc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001178393374 1066510603 /nfs/dbraw/zinc/51/06/03/1066510603.db2.gz RFXHIYRUXHGIKZ-HHHXNRCGSA-N 0 0 500.002 4.846 20 0 KJADRN O=C(Nc1ccncc1Oc1ccccc1)[C@H](c1cccnc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC001178393375 1066510390 /nfs/dbraw/zinc/51/03/90/1066510390.db2.gz RFXHIYRUXHGIKZ-MHZLTWQESA-N 0 0 500.002 4.846 20 0 KJADRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCc1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC001182529998 1066510458 /nfs/dbraw/zinc/51/04/58/1066510458.db2.gz KBHGKIZUPYQWDF-VWLOTQADSA-N 0 0 500.002 4.788 20 0 KJADRN O=C(N1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1)C1(c2ccc3ncccc3c2)CC1 ZINC001186085357 1066510930 /nfs/dbraw/zinc/51/09/30/1066510930.db2.gz HDRRMOGEILRBQY-UHFFFAOYSA-N 0 0 500.002 4.638 20 0 KJADRN Nc1ncc(-c2cccc(C(=O)N[C@@]3(O)C=Cc4ccccc4[C@@H]3c3c(O)ccc4ccccc43)c2)cn1 ZINC001188478769 1066511158 /nfs/dbraw/zinc/51/11/58/1066511158.db2.gz XYVJEIZZFNRJJZ-GRKNLSHJSA-N 0 0 500.558 4.862 20 0 KJADRN Nc1ncc(-c2cccc(C(=O)N[C@]3(O)C=Cc4ccccc4[C@H]3c3c(O)ccc4ccccc43)c2)cn1 ZINC001188478787 1066511166 /nfs/dbraw/zinc/51/11/66/1066511166.db2.gz XYVJEIZZFNRJJZ-IZEXYCQBSA-N 0 0 500.558 4.862 20 0 KJADRN Nc1ncc(-c2cccc(C(=O)N[C@]3(O)C=Cc4ccccc4[C@@H]3c3c(O)ccc4ccccc43)c2)cn1 ZINC001188478788 1066510987 /nfs/dbraw/zinc/51/09/87/1066510987.db2.gz XYVJEIZZFNRJJZ-MVSFAKPFSA-N 0 0 500.558 4.862 20 0 KJADRN Nc1ncc(-c2cccc(C(=O)N[C@@]3(O)C=Cc4ccccc4[C@H]3c3c(O)ccc4ccccc43)c2)cn1 ZINC001188478790 1066511034 /nfs/dbraw/zinc/51/10/34/1066511034.db2.gz XYVJEIZZFNRJJZ-QCENPCRXSA-N 0 0 500.558 4.862 20 0 KJADRN Cn1nccc1-c1ncc(-c2cc(C(=O)NCCc3c[nH]c4cccc(Cl)c34)n(CC3CC3)c2)cn1 ZINC001188895645 1066511016 /nfs/dbraw/zinc/51/10/16/1066511016.db2.gz MUTIYHFCDDMTBQ-UHFFFAOYSA-N 0 0 500.006 4.863 20 0 KJADRN O=C(N[C@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1 ZINC001194585061 1066511105 /nfs/dbraw/zinc/51/11/05/1066511105.db2.gz APUQOANRRAYUMK-BHYZAODMSA-N 0 0 500.554 4.974 20 0 KJADRN O=C(N[C@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1 ZINC001194585062 1066511043 /nfs/dbraw/zinc/51/10/43/1066511043.db2.gz APUQOANRRAYUMK-CDZUIXILSA-N 0 0 500.554 4.974 20 0 KJADRN O=C(N[C@@]1(O)C=Cc2ccccc2[C@H]1c1c(O)ccc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1 ZINC001194585063 1066511007 /nfs/dbraw/zinc/51/10/07/1066511007.db2.gz APUQOANRRAYUMK-XDFJSJKPSA-N 0 0 500.554 4.974 20 0 KJADRN O=C(N[C@@]1(O)C=Cc2ccccc2[C@@H]1c1c(O)ccc2ccccc21)c1ccc(=O)n(-c2ccccc2)c1 ZINC001194585064 1066510890 /nfs/dbraw/zinc/51/08/90/1066510890.db2.gz APUQOANRRAYUMK-XLJNKUFUSA-N 0 0 500.554 4.974 20 0 KJADRN Cc1ccnc(-c2cc(C(=O)NC3CCN(c4ccc(Cl)nn4)CC3)cc(-c3cc(C)ccn3)n2)c1 ZINC001197092279 1066510859 /nfs/dbraw/zinc/51/08/59/1066510859.db2.gz YNCSRJUDEAMQAU-UHFFFAOYSA-N 0 0 500.006 4.665 20 0 KJADRN O=C(NCCc1cn(S(=O)(=O)c2c(Cl)nc3sccn32)c2ccccc12)Nc1ccccc1 ZINC001201962828 1066510912 /nfs/dbraw/zinc/51/09/12/1066510912.db2.gz XKAKCADVNOAMMY-UHFFFAOYSA-N 0 0 500.005 4.605 20 0 KJADRN Cc1nc2c(n1-c1ccc(C(=O)N(C)C)c(Cl)c1)-c1ccccc1N(C(=O)c1ccc(N)cc1)CC2 ZINC001203080599 1067164650 /nfs/dbraw/zinc/16/46/50/1067164650.db2.gz XSJXKUQXSSSOGO-UHFFFAOYSA-N 0 0 500.002 4.988 20 0 KJADRN Nc1cc2[nH]ccc2c(C(=O)NC2(Cc3ccc(Cl)cc3)CCN(c3ncnc4[nH]ccc43)CC2)c1 ZINC001220542208 1067168346 /nfs/dbraw/zinc/16/83/46/1067168346.db2.gz PALXTFXVROHXCZ-UHFFFAOYSA-N 0 0 500.006 4.687 20 0 KJADRN Cc1c2cccc(-c3noc([C@@H](c4cccnc4)N4CCN(c5ccc(Cl)cc5)CC4)n3)c2nn1C ZINC001247351934 1067169969 /nfs/dbraw/zinc/16/99/69/1067169969.db2.gz QPPFCWCGENGBKC-RUZDIDTESA-N 0 0 500.006 4.892 20 0 KJADRN Cc1c2cccc(-c3noc([C@H](c4cccnc4)N4CCN(c5ccc(Cl)cc5)CC4)n3)c2nn1C ZINC001247351944 1067169943 /nfs/dbraw/zinc/16/99/43/1067169943.db2.gz QPPFCWCGENGBKC-VWLOTQADSA-N 0 0 500.006 4.892 20 0 KJADRN